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
PHZ      PHZ '1-PHENYLHYDRAZINE                   ' non-polymer        16   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_PHZ
#
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
 PHZ           N1     N    NH2       0.000      0.000    0.000    0.000
 PHZ           HN11   H    H         0.000     -0.073    1.001   -0.013
 PHZ           HN12   H    H         0.000      0.894   -0.457    0.014
 PHZ           N2     N    NH1       0.000     -1.138   -0.754   -0.002
 PHZ           HN2    H    H         0.000     -1.076   -1.762    0.011
 PHZ           CG     C    CR6       0.000     -2.389   -0.132   -0.020
 PHZ           CD2    C    CR16      0.000     -3.548   -0.899   -0.022
 PHZ           HD2    H    H         0.000     -3.482   -1.980   -0.010
 PHZ           CE2    C    CR16      0.000     -4.782   -0.281   -0.040
 PHZ           HE2    H    H         0.000     -5.686   -0.878   -0.041
 PHZ           CZ     C    CR16      0.000     -4.866    1.100   -0.057
 PHZ           HZ     H    H         0.000     -5.836    1.582   -0.071
 PHZ           CE1    C    CR16      0.000     -3.715    1.865   -0.056
 PHZ           HE1    H    H         0.000     -3.784    2.946   -0.074
 PHZ           CD1    C    CR16      0.000     -2.477    1.254   -0.032
 PHZ           HD1    H    H         0.000     -1.576    1.854   -0.023
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
 PHZ      N1     n/a    N2     START
 PHZ      HN11   N1     .      .
 PHZ      HN12   N1     .      .
 PHZ      N2     N1     CG     .
 PHZ      HN2    N2     .      .
 PHZ      CG     N2     CD2    .
 PHZ      CD2    CG     CE2    .
 PHZ      HD2    CD2    .      .
 PHZ      CE2    CD2    CZ     .
 PHZ      HE2    CE2    .      .
 PHZ      CZ     CE2    CE1    .
 PHZ      HZ     CZ     .      .
 PHZ      CE1    CZ     CD1    .
 PHZ      HE1    CE1    .      .
 PHZ      CD1    CE1    HD1    .
 PHZ      HD1    CD1    .      END
 PHZ      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
 PHZ      N2     N1        single      1.400    0.020
 PHZ      HN11   N1        single      1.010    0.020
 PHZ      HN12   N1        single      1.010    0.020
 PHZ      CG     N2        single      1.350    0.020
 PHZ      HN2    N2        single      1.010    0.020
 PHZ      CG     CD1       single      1.390    0.020
 PHZ      CD2    CG        double      1.390    0.020
 PHZ      CD1    CE1       double      1.390    0.020
 PHZ      HD1    CD1       single      1.083    0.020
 PHZ      CE1    CZ        single      1.390    0.020
 PHZ      HE1    CE1       single      1.083    0.020
 PHZ      CZ     CE2       double      1.390    0.020
 PHZ      HZ     CZ        single      1.083    0.020
 PHZ      CE2    CD2       single      1.390    0.020
 PHZ      HE2    CE2       single      1.083    0.020
 PHZ      HD2    CD2       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
 PHZ      HN11   N1     HN12    120.000    3.000
 PHZ      HN11   N1     N2      120.000    3.000
 PHZ      HN12   N1     N2      120.000    3.000
 PHZ      N1     N2     HN2     120.000    3.000
 PHZ      N1     N2     CG      120.000    3.000
 PHZ      HN2    N2     CG      120.000    3.000
 PHZ      N2     CG     CD2     120.000    3.000
 PHZ      N2     CG     CD1     120.000    3.000
 PHZ      CD2    CG     CD1     120.000    3.000
 PHZ      CG     CD2    HD2     120.000    3.000
 PHZ      CG     CD2    CE2     120.000    3.000
 PHZ      HD2    CD2    CE2     120.000    3.000
 PHZ      CD2    CE2    HE2     120.000    3.000
 PHZ      CD2    CE2    CZ      120.000    3.000
 PHZ      HE2    CE2    CZ      120.000    3.000
 PHZ      CE2    CZ     HZ      120.000    3.000
 PHZ      CE2    CZ     CE1     120.000    3.000
 PHZ      HZ     CZ     CE1     120.000    3.000
 PHZ      CZ     CE1    HE1     120.000    3.000
 PHZ      CZ     CE1    CD1     120.000    3.000
 PHZ      HE1    CE1    CD1     120.000    3.000
 PHZ      CE1    CD1    HD1     120.000    3.000
 PHZ      CE1    CD1    CG      120.000    3.000
 PHZ      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
 PHZ      CONST_1  HN12   N1     N2     CG       179.973    0.000   0
 PHZ      var_1    N1     N2     CG     CD2      179.987   20.000   1
 PHZ      CONST_2  N2     CG     CD1    CE1      180.000    0.000   0
 PHZ      CONST_3  N2     CG     CD2    CE2      180.000    0.000   0
 PHZ      CONST_4  CG     CD2    CE2    CZ         0.000    0.000   0
 PHZ      CONST_5  CD2    CE2    CZ     CE1        0.000    0.000   0
 PHZ      CONST_6  CE2    CZ     CE1    CD1        0.000    0.000   0
 PHZ      CONST_7  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
 PHZ      plan-1    N1        0.020
 PHZ      plan-1    N2        0.020
 PHZ      plan-1    HN11      0.020
 PHZ      plan-1    HN12      0.020
 PHZ      plan-1    HN2       0.020
 PHZ      plan-2    N2        0.020
 PHZ      plan-2    N1        0.020
 PHZ      plan-2    CG        0.020
 PHZ      plan-2    HN2       0.020
 PHZ      plan-2    HN11      0.020
 PHZ      plan-2    HN12      0.020
 PHZ      plan-3    CG        0.020
 PHZ      plan-3    N2        0.020
 PHZ      plan-3    CD1       0.020
 PHZ      plan-3    CD2       0.020
 PHZ      plan-3    CE1       0.020
 PHZ      plan-3    CZ        0.020
 PHZ      plan-3    CE2       0.020
 PHZ      plan-3    HD1       0.020
 PHZ      plan-3    HE1       0.020
 PHZ      plan-3    HZ        0.020
 PHZ      plan-3    HE2       0.020
 PHZ      plan-3    HD2       0.020
 PHZ      plan-3    HN2       0.020
# ------------------------------------------------------
