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
GB       GB  'METHYLPHOSPHONIC ACID ESTER GROUP   ' non-polymer        10   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_GB
#
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
 GB            O2     O    O         0.000      0.000    0.000    0.000
 GB            P1     P    P         0.000     -0.740   -1.095   -0.709
 GB            O3     O    OH1       0.000     -0.561   -1.125   -2.316
 GB            HO3    H    H         0.000      0.325   -1.151   -2.705
 GB            C1     C    CH3       0.000     -2.507   -1.051   -0.493
 GB            H3     H    H         0.000     -2.880   -0.134   -0.863
 GB            H2     H    H         0.000     -2.942   -1.855   -1.025
 GB            H1     H    H         0.000     -2.733   -1.140    0.536
 GB            O1     O    OH1       0.000     -0.342   -2.594   -0.252
 GB            HO1    H    H         0.000      0.586   -2.869   -0.244
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
 GB       O2     n/a    P1     START
 GB       P1     O2     O1     .
 GB       O3     P1     HO3    .
 GB       HO3    O3     .      .
 GB       C1     P1     H1     .
 GB       H3     C1     .      .
 GB       H2     C1     .      .
 GB       H1     C1     .      .
 GB       O1     P1     HO1    .
 GB       HO1    O1     .      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
 GB       O1     P1        single      1.610    0.020
 GB       P1     O2        double      1.480    0.020
 GB       C1     P1        single      1.812    0.020
 GB       HO1    O1        single      0.967    0.020
 GB       H1     C1        single      1.059    0.020
 GB       H2     C1        single      1.059    0.020
 GB       H3     C1        single      1.059    0.020
 GB       O3     P1        single      1.610    0.020
 GB       HO3    O3        single      0.967    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
 GB       O2     P1     O3      109.500    3.000
 GB       O2     P1     C1      109.500    3.000
 GB       O2     P1     O1      109.500    3.000
 GB       O3     P1     C1      109.500    3.000
 GB       O3     P1     O1      109.500    3.000
 GB       C1     P1     O1      109.500    3.000
 GB       P1     O3     HO3     120.000    3.000
 GB       P1     C1     H3      109.500    3.000
 GB       P1     C1     H2      109.500    3.000
 GB       P1     C1     H1      109.500    3.000
 GB       H3     C1     H2      109.470    3.000
 GB       H3     C1     H1      109.470    3.000
 GB       H2     C1     H1      109.470    3.000
 GB       P1     O1     HO1     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
 GB       var_1    O2     P1     O3     HO3       54.195   20.000   1
 GB       var_2    O2     P1     C1     H1       -60.022   20.000   1
 GB       var_3    O2     P1     O1     HO1      -52.079   20.000   1
# ------------------------------------------------------
