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
HGU      HGU 'N-HYDROXYGUANIDINE                  ' non-polymer        10   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_HGU
#
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
 HGU           NH1    N    N         0.000      0.000    0.000    0.000
 HGU           HN1    H    H         0.000      0.285    0.000   -0.919
 HGU           C      C    C         0.000     -1.267    0.000    0.307
 HGU           NH2    N    NH2       0.000     -1.653    0.000    1.627
 HGU           HN22   H    H         0.000     -2.638    0.000    1.881
 HGU           HN21   H    H         0.000     -0.959    0.000    2.372
 HGU           N      N    NH1       0.000     -2.214    0.000   -0.686
 HGU           HN     H    H         0.000     -3.196    0.000   -0.447
 HGU           O      O    OH1       0.000     -1.817    0.000   -2.045
 HGU           HO     H    H         0.000     -2.483    0.000   -2.751
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
 HGU      NH1    n/a    C      START
 HGU      HN1    NH1    .      .
 HGU      C      NH1    N      .
 HGU      NH2    C      HN21   .
 HGU      HN22   NH2    .      .
 HGU      HN21   NH2    .      .
 HGU      N      C      O      .
 HGU      HN     N      .      .
 HGU      O      N      HO     .
 HGU      HO     O      .      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
 HGU      O      N         single      1.392    0.020
 HGU      HO     O         single      0.967    0.020
 HGU      N      C         single      1.330    0.020
 HGU      HN     N         single      1.010    0.020
 HGU      C      NH1       double      1.260    0.020
 HGU      NH2    C         single      1.332    0.020
 HGU      HN1    NH1       single      0.954    0.020
 HGU      HN21   NH2       single      1.010    0.020
 HGU      HN22   NH2       single      1.010    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
 HGU      HN1    NH1    C       120.000    3.000
 HGU      NH1    C      NH2     120.000    3.000
 HGU      NH1    C      N       120.000    3.000
 HGU      NH2    C      N       120.000    3.000
 HGU      C      NH2    HN22    120.000    3.000
 HGU      C      NH2    HN21    120.000    3.000
 HGU      HN22   NH2    HN21    120.000    3.000
 HGU      C      N      HN      120.000    3.000
 HGU      C      N      O       120.000    3.000
 HGU      HN     N      O       120.200    3.000
 HGU      N      O      HO      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
 HGU      CONST_1  HN1    NH1    C      N          0.000    0.000   0
 HGU      CONST_2  NH1    C      NH2    HN21       0.000    0.000   0
 HGU      CONST_3  NH1    C      N      O          0.000    0.000   0
 HGU      var_1    C      N      O      HO       180.000   20.000   1
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
 HGU      plan-1    N         0.020
 HGU      plan-1    O         0.020
 HGU      plan-1    C         0.020
 HGU      plan-1    HN        0.020
 HGU      plan-2    C         0.020
 HGU      plan-2    N         0.020
 HGU      plan-2    NH1       0.020
 HGU      plan-2    NH2       0.020
 HGU      plan-2    HN1       0.020
 HGU      plan-2    HN        0.020
 HGU      plan-2    HN22      0.020
 HGU      plan-2    HN21      0.020
 HGU      plan-3    NH2       0.020
 HGU      plan-3    C         0.020
 HGU      plan-3    HN21      0.020
 HGU      plan-3    HN22      0.020
# ------------------------------------------------------
