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
ZHZ      ZHZ '2-(4-METHOXYPHENYL)ACETAMIDE        ' non-polymer        23  12 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ZHZ
#
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
 ZHZ           O2     O    O         0.000      0.000    0.000    0.000
 ZHZ           CA     C    C         0.000     -0.197    1.210   -0.063
 ZHZ           N2     N    NH2       0.000      0.415    2.037   -0.981
 ZHZ           HN22   H    H         0.000      1.075    1.664   -1.662
 ZHZ           HN21   H    H         0.000      0.220    3.037   -0.996
 ZHZ           CB     C    CH2       0.000     -1.146    1.958    0.859
 ZHZ           HB1    H    H         0.000     -1.927    2.396    0.234
 ZHZ           HB2    H    H         0.000     -0.572    2.757    1.335
 ZHZ           CG     C    CR6       0.000     -1.769    1.099    1.908
 ZHZ           CD1    C    CR16      0.000     -1.142    0.942    3.143
 ZHZ           HD1    H    H         0.000     -0.202    1.443    3.341
 ZHZ           CE1    C    CR16      0.000     -1.725    0.139    4.124
 ZHZ           HE1    H    H         0.000     -1.238    0.017    5.083
 ZHZ           CZ     C    CR6       0.000     -2.935   -0.506    3.869
 ZHZ           O1     O    O2        0.000     -3.504   -1.288    4.826
 ZHZ           CF1    C    CH3       0.000     -2.810   -1.405    6.067
 ZHZ           HF13   H    H         0.000     -3.118   -2.290    6.561
 ZHZ           HF12   H    H         0.000     -1.767   -1.447    5.886
 ZHZ           HF11   H    H         0.000     -3.029   -0.566    6.675
 ZHZ           CE2    C    CR16      0.000     -3.562   -0.348    2.632
 ZHZ           HE2    H    H         0.000     -4.501   -0.849    2.434
 ZHZ           CD2    C    CR16      0.000     -2.979    0.455    1.652
 ZHZ           HD2    H    H         0.000     -3.465    0.577    0.692
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
 ZHZ      O2     n/a    CA     START
 ZHZ      CA     O2     CB     .
 ZHZ      N2     CA     HN21   .
 ZHZ      HN22   N2     .      .
 ZHZ      HN21   N2     .      .
 ZHZ      CB     CA     CG     .
 ZHZ      HB1    CB     .      .
 ZHZ      HB2    CB     .      .
 ZHZ      CG     CB     CD1    .
 ZHZ      CD1    CG     CE1    .
 ZHZ      HD1    CD1    .      .
 ZHZ      CE1    CD1    CZ     .
 ZHZ      HE1    CE1    .      .
 ZHZ      CZ     CE1    CE2    .
 ZHZ      O1     CZ     CF1    .
 ZHZ      CF1    O1     HF11   .
 ZHZ      HF13   CF1    .      .
 ZHZ      HF12   CF1    .      .
 ZHZ      HF11   CF1    .      .
 ZHZ      CE2    CZ     CD2    .
 ZHZ      HE2    CE2    .      .
 ZHZ      CD2    CE2    HD2    .
 ZHZ      HD2    CD2    .      END
 ZHZ      CG     CD2    .    ADD
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
 ZHZ      CA     O2        double      1.220    0.020
 ZHZ      N2     CA        single      1.332    0.020
 ZHZ      CB     CA        single      1.510    0.020
 ZHZ      HN21   N2        single      1.010    0.020
 ZHZ      HN22   N2        single      1.010    0.020
 ZHZ      CG     CB        single      1.511    0.020
 ZHZ      HB1    CB        single      1.092    0.020
 ZHZ      HB2    CB        single      1.092    0.020
 ZHZ      CG     CD2       double      1.390    0.020
 ZHZ      CD1    CG        single      1.390    0.020
 ZHZ      CD2    CE2       single      1.390    0.020
 ZHZ      HD2    CD2       single      1.083    0.020
 ZHZ      CE2    CZ        double      1.390    0.020
 ZHZ      HE2    CE2       single      1.083    0.020
 ZHZ      O1     CZ        single      1.370    0.020
 ZHZ      CZ     CE1       single      1.390    0.020
 ZHZ      CF1    O1        single      1.426    0.020
 ZHZ      HF11   CF1       single      1.059    0.020
 ZHZ      HF12   CF1       single      1.059    0.020
 ZHZ      HF13   CF1       single      1.059    0.020
 ZHZ      CE1    CD1       double      1.390    0.020
 ZHZ      HE1    CE1       single      1.083    0.020
 ZHZ      HD1    CD1       single      1.083    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
 ZHZ      O2     CA     N2      123.000    3.000
 ZHZ      O2     CA     CB      120.500    3.000
 ZHZ      N2     CA     CB      116.500    3.000
 ZHZ      CA     N2     HN22    120.000    3.000
 ZHZ      CA     N2     HN21    120.000    3.000
 ZHZ      HN22   N2     HN21    120.000    3.000
 ZHZ      CA     CB     HB1     109.470    3.000
 ZHZ      CA     CB     HB2     109.470    3.000
 ZHZ      CA     CB     CG      109.470    3.000
 ZHZ      HB1    CB     HB2     107.900    3.000
 ZHZ      HB1    CB     CG      109.470    3.000
 ZHZ      HB2    CB     CG      109.470    3.000
 ZHZ      CB     CG     CD1     120.000    3.000
 ZHZ      CB     CG     CD2     120.000    3.000
 ZHZ      CD1    CG     CD2     120.000    3.000
 ZHZ      CG     CD1    HD1     120.000    3.000
 ZHZ      CG     CD1    CE1     120.000    3.000
 ZHZ      HD1    CD1    CE1     120.000    3.000
 ZHZ      CD1    CE1    HE1     120.000    3.000
 ZHZ      CD1    CE1    CZ      120.000    3.000
 ZHZ      HE1    CE1    CZ      120.000    3.000
 ZHZ      CE1    CZ     O1      120.000    3.000
 ZHZ      CE1    CZ     CE2     120.000    3.000
 ZHZ      O1     CZ     CE2     120.000    3.000
 ZHZ      CZ     O1     CF1     120.000    3.000
 ZHZ      O1     CF1    HF13    109.470    3.000
 ZHZ      O1     CF1    HF12    109.470    3.000
 ZHZ      O1     CF1    HF11    109.470    3.000
 ZHZ      HF13   CF1    HF12    109.470    3.000
 ZHZ      HF13   CF1    HF11    109.470    3.000
 ZHZ      HF12   CF1    HF11    109.470    3.000
 ZHZ      CZ     CE2    HE2     120.000    3.000
 ZHZ      CZ     CE2    CD2     120.000    3.000
 ZHZ      HE2    CE2    CD2     120.000    3.000
 ZHZ      CE2    CD2    HD2     120.000    3.000
 ZHZ      CE2    CD2    CG      120.000    3.000
 ZHZ      HD2    CD2    CG      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
 ZHZ      CONST_1  O2     CA     N2     HN21     180.000    0.000   0
 ZHZ      var_1    O2     CA     CB     CG         3.113   20.000   3
 ZHZ      var_2    CA     CB     CG     CD1       89.970   20.000   2
 ZHZ      CONST_2  CB     CG     CD2    CE2      180.000    0.000   0
 ZHZ      CONST_3  CB     CG     CD1    CE1      180.000    0.000   0
 ZHZ      CONST_4  CG     CD1    CE1    CZ         0.000    0.000   0
 ZHZ      CONST_5  CD1    CE1    CZ     CE2        0.000    0.000   0
 ZHZ      var_3    CE1    CZ     O1     CF1       -0.082   20.000   1
 ZHZ      var_4    CZ     O1     CF1    HF11      82.033   20.000   1
 ZHZ      CONST_6  CE1    CZ     CE2    CD2        0.000    0.000   0
 ZHZ      CONST_7  CZ     CE2    CD2    CG         0.000    0.000   0
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
 ZHZ      plan-1    CA        0.020
 ZHZ      plan-1    O2        0.020
 ZHZ      plan-1    N2        0.020
 ZHZ      plan-1    CB        0.020
 ZHZ      plan-1    HN22      0.020
 ZHZ      plan-1    HN21      0.020
 ZHZ      plan-2    N2        0.020
 ZHZ      plan-2    CA        0.020
 ZHZ      plan-2    HN21      0.020
 ZHZ      plan-2    HN22      0.020
 ZHZ      plan-3    CG        0.020
 ZHZ      plan-3    CB        0.020
 ZHZ      plan-3    CD2       0.020
 ZHZ      plan-3    CD1       0.020
 ZHZ      plan-3    CE2       0.020
 ZHZ      plan-3    CZ        0.020
 ZHZ      plan-3    CE1       0.020
 ZHZ      plan-3    HD2       0.020
 ZHZ      plan-3    HE2       0.020
 ZHZ      plan-3    O1        0.020
 ZHZ      plan-3    HE1       0.020
 ZHZ      plan-3    HD1       0.020
# ------------------------------------------------------
