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
NHY      NHY 'N-HYDROXYUREA                       ' non-polymer         9   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NHY
#
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
 NHY           O1     O    OH1       0.000      0.000    0.000    0.000
 NHY           HO1    H    H         0.000      0.811   -0.535    0.000
 NHY           N1     N    NH1       0.000     -1.271   -0.625    0.000
 NHY           HN1    H    H         0.000     -1.338   -1.632    0.000
 NHY           C      C    C         0.000     -2.390    0.126    0.000
 NHY           O2     O    O         0.000     -2.309    1.338    0.000
 NHY           N2     N    NH2       0.000     -3.600   -0.469    0.000
 NHY           HN22   H    H         0.000     -3.673   -1.479    0.000
 NHY           HN21   H    H         0.000     -4.444    0.091    0.000
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
 NHY      O1     n/a    N1     START
 NHY      HO1    O1     .      .
 NHY      N1     O1     C      .
 NHY      HN1    N1     .      .
 NHY      C      N1     N2     .
 NHY      O2     C      .      .
 NHY      N2     C      HN21   .
 NHY      HN22   N2     .      .
 NHY      HN21   N2     .      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
 NHY      O2     C         double      1.220    0.020
 NHY      N2     C         single      1.332    0.020
 NHY      C      N1        single      1.330    0.020
 NHY      HN21   N2        single      1.010    0.020
 NHY      HN22   N2        single      1.010    0.020
 NHY      N1     O1        single      1.392    0.020
 NHY      HN1    N1        single      1.010    0.020
 NHY      HO1    O1        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
 NHY      HO1    O1     N1      120.000    3.000
 NHY      O1     N1     HN1     120.200    3.000
 NHY      O1     N1     C       120.000    3.000
 NHY      HN1    N1     C       120.000    3.000
 NHY      N1     C      O2      123.000    3.000
 NHY      N1     C      N2      120.000    3.000
 NHY      O2     C      N2      123.000    3.000
 NHY      C      N2     HN22    120.000    3.000
 NHY      C      N2     HN21    120.000    3.000
 NHY      HN22   N2     HN21    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
 NHY      var_1    HO1    O1     N1     C        180.000   20.000   1
 NHY      CONST_1  O1     N1     C      N2       180.000    0.000   0
 NHY      CONST_2  N1     C      N2     HN21     180.000    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
 NHY      plan-1    C         0.020
 NHY      plan-1    O2        0.020
 NHY      plan-1    N2        0.020
 NHY      plan-1    N1        0.020
 NHY      plan-1    HN22      0.020
 NHY      plan-1    HN21      0.020
 NHY      plan-1    HN1       0.020
 NHY      plan-2    N2        0.020
 NHY      plan-2    C         0.020
 NHY      plan-2    HN21      0.020
 NHY      plan-2    HN22      0.020
 NHY      plan-3    N1        0.020
 NHY      plan-3    C         0.020
 NHY      plan-3    O1        0.020
 NHY      plan-3    HN1       0.020
# ------------------------------------------------------
