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
PZM      PZM '1-(4-METHOXYPHENYL)METHANAMINE      ' non-polymer        21  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_PZM
#
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
 PZM           N1     N    NH2       0.000      0.000    0.000    0.000
 PZM           HN11   H    H         0.000      0.538    0.838   -0.187
 PZM           HN12   H    H         0.000      0.071   -0.788   -0.633
 PZM           CB     C    CH2       0.000     -0.875   -0.072    1.177
 PZM           HB1    H    H         0.000     -0.733    0.821    1.790
 PZM           HB2    H    H         0.000     -0.624   -0.958    1.763
 PZM           CG     C    CR6       0.000     -2.312   -0.153    0.731
 PZM           CD2    C    CR16      0.000     -3.044    1.005    0.544
 PZM           HD2    H    H         0.000     -2.585    1.970    0.724
 PZM           CE2    C    CR16      0.000     -4.360    0.933    0.129
 PZM           HE2    H    H         0.000     -4.929    1.841   -0.026
 PZM           CZ     C    CR6       0.000     -4.950   -0.303   -0.089
 PZM           O1     O    O2        0.000     -6.246   -0.377   -0.491
 PZM           CF1    C    CH3       0.000     -6.724    0.967   -0.594
 PZM           HF13   H    H         0.000     -7.736    0.959   -0.908
 PZM           HF12   H    H         0.000     -6.651    1.441    0.350
 PZM           HF11   H    H         0.000     -6.140    1.497   -1.300
 PZM           CE1    C    CR16      0.000     -4.214   -1.464    0.099
 PZM           HE1    H    H         0.000     -4.671   -2.430   -0.075
 PZM           CD1    C    CR16      0.000     -2.897   -1.386    0.508
 PZM           HD1    H    H         0.000     -2.321   -2.292    0.654
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
 PZM      N1     n/a    CB     START
 PZM      HN11   N1     .      .
 PZM      HN12   N1     .      .
 PZM      CB     N1     CG     .
 PZM      HB1    CB     .      .
 PZM      HB2    CB     .      .
 PZM      CG     CB     CD2    .
 PZM      CD2    CG     CE2    .
 PZM      HD2    CD2    .      .
 PZM      CE2    CD2    CZ     .
 PZM      HE2    CE2    .      .
 PZM      CZ     CE2    CE1    .
 PZM      O1     CZ     CF1    .
 PZM      CF1    O1     HF11   .
 PZM      HF13   CF1    .      .
 PZM      HF12   CF1    .      .
 PZM      HF11   CF1    .      .
 PZM      CE1    CZ     CD1    .
 PZM      HE1    CE1    .      .
 PZM      CD1    CE1    HD1    .
 PZM      HD1    CD1    .      END
 PZM      CG     CD1    .    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
 PZM      CB     N1        single      1.450    0.020
 PZM      HN11   N1        single      1.010    0.020
 PZM      HN12   N1        single      1.010    0.020
 PZM      CG     CB        single      1.511    0.020
 PZM      HB1    CB        single      1.092    0.020
 PZM      HB2    CB        single      1.092    0.020
 PZM      CG     CD1       double      1.390    0.020
 PZM      CD2    CG        single      1.390    0.020
 PZM      CD1    CE1       single      1.390    0.020
 PZM      HD1    CD1       single      1.083    0.020
 PZM      CE1    CZ        double      1.390    0.020
 PZM      HE1    CE1       single      1.083    0.020
 PZM      CZ     CE2       single      1.390    0.020
 PZM      O1     CZ        single      1.370    0.020
 PZM      CE2    CD2       double      1.390    0.020
 PZM      HE2    CE2       single      1.083    0.020
 PZM      HD2    CD2       single      1.083    0.020
 PZM      CF1    O1        single      1.426    0.020
 PZM      HF11   CF1       single      1.059    0.020
 PZM      HF12   CF1       single      1.059    0.020
 PZM      HF13   CF1       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
 PZM      HN11   N1     HN12    120.000    3.000
 PZM      HN11   N1     CB      120.000    3.000
 PZM      HN12   N1     CB      120.000    3.000
 PZM      N1     CB     HB1     109.470    3.000
 PZM      N1     CB     HB2     109.470    3.000
 PZM      N1     CB     CG      109.500    3.000
 PZM      HB1    CB     HB2     107.900    3.000
 PZM      HB1    CB     CG      109.470    3.000
 PZM      HB2    CB     CG      109.470    3.000
 PZM      CB     CG     CD2     120.000    3.000
 PZM      CB     CG     CD1     120.000    3.000
 PZM      CD2    CG     CD1     120.000    3.000
 PZM      CG     CD2    HD2     120.000    3.000
 PZM      CG     CD2    CE2     120.000    3.000
 PZM      HD2    CD2    CE2     120.000    3.000
 PZM      CD2    CE2    HE2     120.000    3.000
 PZM      CD2    CE2    CZ      120.000    3.000
 PZM      HE2    CE2    CZ      120.000    3.000
 PZM      CE2    CZ     O1      120.000    3.000
 PZM      CE2    CZ     CE1     120.000    3.000
 PZM      O1     CZ     CE1     120.000    3.000
 PZM      CZ     O1     CF1     120.000    3.000
 PZM      O1     CF1    HF13    109.470    3.000
 PZM      O1     CF1    HF12    109.470    3.000
 PZM      O1     CF1    HF11    109.470    3.000
 PZM      HF13   CF1    HF12    109.470    3.000
 PZM      HF13   CF1    HF11    109.470    3.000
 PZM      HF12   CF1    HF11    109.470    3.000
 PZM      CZ     CE1    HE1     120.000    3.000
 PZM      CZ     CE1    CD1     120.000    3.000
 PZM      HE1    CE1    CD1     120.000    3.000
 PZM      CE1    CD1    HD1     120.000    3.000
 PZM      CE1    CD1    CG      120.000    3.000
 PZM      HD1    CD1    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
 PZM      var_1    HN12   N1     CB     CG       -66.204   20.000   1
 PZM      var_2    N1     CB     CG     CD2      -89.963   20.000   2
 PZM      CONST_1  CB     CG     CD1    CE1      180.000    0.000   0
 PZM      CONST_2  CB     CG     CD2    CE2      180.000    0.000   0
 PZM      CONST_3  CG     CD2    CE2    CZ         0.000    0.000   0
 PZM      CONST_4  CD2    CE2    CZ     CE1        0.000    0.000   0
 PZM      var_3    CE2    CZ     O1     CF1       -0.239   20.000   1
 PZM      var_4    CZ     O1     CF1    HF11      59.920   20.000   1
 PZM      CONST_5  CE2    CZ     CE1    CD1        0.000    0.000   0
 PZM      CONST_6  CZ     CE1    CD1    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
 PZM      plan-1    N1        0.020
 PZM      plan-1    CB        0.020
 PZM      plan-1    HN11      0.020
 PZM      plan-1    HN12      0.020
 PZM      plan-2    CG        0.020
 PZM      plan-2    CB        0.020
 PZM      plan-2    CD1       0.020
 PZM      plan-2    CD2       0.020
 PZM      plan-2    CE1       0.020
 PZM      plan-2    CZ        0.020
 PZM      plan-2    CE2       0.020
 PZM      plan-2    HD1       0.020
 PZM      plan-2    HE1       0.020
 PZM      plan-2    O1        0.020
 PZM      plan-2    HE2       0.020
 PZM      plan-2    HD2       0.020
# ------------------------------------------------------
