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
GG7      GG7 '[(1R)-1-AMINOETHYL]PHOSPHONIC ACID  ' non-polymer        15   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_GG7
#
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
 GG7           O1C    O    OH1       0.000      0.000    0.000    0.000
 GG7           HO1C   H    H         0.000      0.936    0.184   -0.165
 GG7           P      P    P         0.000     -1.016    1.209    0.348
 GG7           O1A    O    O         0.000     -0.964    2.358   -0.618
 GG7           O1B    O    OH1       0.000     -0.628    1.583    1.873
 GG7           HO1B   H    H         0.000      0.188    2.068    2.062
 GG7           CA     C    CH1       0.000     -2.599    0.393    0.468
 GG7           HA     H    H         0.000     -2.553   -0.379    1.249
 GG7           N      N    NH2       0.000     -3.449    1.487    0.920
 GG7           HN2    H    H         0.000     -4.414    1.312    1.165
 GG7           HN1    H    H         0.000     -3.075    2.424    0.989
 GG7           CB     C    CH3       0.000     -3.127   -0.222   -0.817
 GG7           HB3    H    H         0.000     -2.481   -1.002   -1.125
 GG7           HB2    H    H         0.000     -4.097   -0.610   -0.648
 GG7           HB1    H    H         0.000     -3.169    0.521   -1.570
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
 GG7      O1C    n/a    P      START
 GG7      HO1C   O1C    .      .
 GG7      P      O1C    CA     .
 GG7      O1A    P      .      .
 GG7      O1B    P      HO1B   .
 GG7      HO1B   O1B    .      .
 GG7      CA     P      CB     .
 GG7      HA     CA     .      .
 GG7      N      CA     HN1    .
 GG7      HN2    N      .      .
 GG7      HN1    N      .      .
 GG7      CB     CA     HB1    .
 GG7      HB3    CB     .      .
 GG7      HB2    CB     .      .
 GG7      HB1    CB     .      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
 GG7      O1A    P         double      1.480    0.020
 GG7      O1B    P         single      1.610    0.020
 GG7      CA     P         single      1.815    0.020
 GG7      P      O1C       single      1.610    0.020
 GG7      HO1B   O1B       single      0.967    0.020
 GG7      CB     CA        single      1.524    0.020
 GG7      N      CA        single      1.450    0.020
 GG7      HA     CA        single      1.099    0.020
 GG7      HB1    CB        single      1.059    0.020
 GG7      HB2    CB        single      1.059    0.020
 GG7      HB3    CB        single      1.059    0.020
 GG7      HN1    N         single      1.010    0.020
 GG7      HN2    N         single      1.010    0.020
 GG7      HO1C   O1C       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
 GG7      HO1C   O1C    P       120.000    3.000
 GG7      O1C    P      O1A     109.500    3.000
 GG7      O1C    P      O1B     109.500    3.000
 GG7      O1C    P      CA      109.500    3.000
 GG7      O1A    P      O1B     109.500    3.000
 GG7      O1A    P      CA      109.500    3.000
 GG7      O1B    P      CA      109.500    3.000
 GG7      P      O1B    HO1B    120.000    3.000
 GG7      P      CA     HA      109.500    3.000
 GG7      P      CA     N       109.500    3.000
 GG7      P      CA     CB      109.500    3.000
 GG7      HA     CA     N       109.470    3.000
 GG7      HA     CA     CB      108.340    3.000
 GG7      N      CA     CB      109.470    3.000
 GG7      CA     N      HN2     120.000    3.000
 GG7      CA     N      HN1     120.000    3.000
 GG7      HN2    N      HN1     120.000    3.000
 GG7      CA     CB     HB3     109.470    3.000
 GG7      CA     CB     HB2     109.470    3.000
 GG7      CA     CB     HB1     109.470    3.000
 GG7      HB3    CB     HB2     109.470    3.000
 GG7      HB3    CB     HB1     109.470    3.000
 GG7      HB2    CB     HB1     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
 GG7      var_1    HO1C   O1C    P      CA       176.851   20.000   1
 GG7      var_2    O1C    P      O1B    HO1B      74.433   20.000   1
 GG7      var_3    O1C    P      CA     CB       -65.249   20.000   1
 GG7      var_4    P      CA     N      HN1        5.675   20.000   1
 GG7      var_5    P      CA     CB     HB1      -55.717   20.000   3
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 GG7      chir_01  CA     P      CB     N         positiv
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
 GG7      plan-1    N         0.020
 GG7      plan-1    CA        0.000
 GG7      plan-1    HN1       0.000
 GG7      plan-1    HN2       0.000
# ------------------------------------------------------
