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
AGU      AGU 'AMINOGUANIDINE                      ' non-polymer        11   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_AGU
#
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
 AGU           N1     N    N         0.000      0.000    0.000    0.000
 AGU           HN1    H    H         0.000      0.959    0.037    0.066
 AGU           C      C    C         0.000     -0.745   -0.009    1.071
 AGU           N2     N    NH2       0.000     -0.160    0.032    2.314
 AGU           HN22   H    H         0.000     -0.729    0.025    3.158
 AGU           HN21   H    H         0.000      0.853    0.070    2.412
 AGU           N3     N    NH1       0.000     -2.112   -0.063    0.955
 AGU           HN3    H    H         0.000     -2.688   -0.070    1.784
 AGU           N4     N    NH2       0.000     -2.693   -0.105   -0.280
 AGU           HN42   H    H         0.000     -2.111   -0.097   -1.098
 AGU           HN41   H    H         0.000     -3.693   -0.143   -0.352
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
 AGU      N1     n/a    C      START
 AGU      HN1    N1     .      .
 AGU      C      N1     N3     .
 AGU      N2     C      HN21   .
 AGU      HN22   N2     .      .
 AGU      HN21   N2     .      .
 AGU      N3     C      N4     .
 AGU      HN3    N3     .      .
 AGU      N4     N3     HN41   .
 AGU      HN42   N4     .      .
 AGU      HN41   N4     .      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
 AGU      C      N1        double      1.260    0.020
 AGU      N2     C         single      1.332    0.020
 AGU      N3     C         single      1.330    0.020
 AGU      HN1    N1        single      0.954    0.020
 AGU      HN21   N2        single      1.010    0.020
 AGU      HN22   N2        single      1.010    0.020
 AGU      N4     N3        single      1.400    0.020
 AGU      HN3    N3        single      1.010    0.020
 AGU      HN41   N4        single      1.010    0.020
 AGU      HN42   N4        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
 AGU      HN1    N1     C       120.000    3.000
 AGU      N1     C      N2      120.000    3.000
 AGU      N1     C      N3      120.000    3.000
 AGU      N2     C      N3      120.000    3.000
 AGU      C      N2     HN22    120.000    3.000
 AGU      C      N2     HN21    120.000    3.000
 AGU      HN22   N2     HN21    120.000    3.000
 AGU      C      N3     HN3     120.000    3.000
 AGU      C      N3     N4      120.000    3.000
 AGU      HN3    N3     N4      120.000    3.000
 AGU      N3     N4     HN42    120.000    3.000
 AGU      N3     N4     HN41    120.000    3.000
 AGU      HN42   N4     HN41    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
 AGU      CONST_1  HN1    N1     C      N3       180.000    0.000   0
 AGU      CONST_2  N1     C      N2     HN21       0.000    0.000   0
 AGU      CONST_3  N1     C      N3     N4         0.000    0.000   0
 AGU      CONST_4  C      N3     N4     HN41    -179.975    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
 AGU      plan-1    C         0.020
 AGU      plan-1    N1        0.020
 AGU      plan-1    N2        0.020
 AGU      plan-1    N3        0.020
 AGU      plan-1    HN1       0.020
 AGU      plan-1    HN22      0.020
 AGU      plan-1    HN21      0.020
 AGU      plan-1    HN3       0.020
 AGU      plan-2    N2        0.020
 AGU      plan-2    C         0.020
 AGU      plan-2    HN21      0.020
 AGU      plan-2    HN22      0.020
 AGU      plan-3    N3        0.020
 AGU      plan-3    C         0.020
 AGU      plan-3    N4        0.020
 AGU      plan-3    HN3       0.020
 AGU      plan-3    HN42      0.020
 AGU      plan-3    HN41      0.020
 AGU      plan-4    N4        0.020
 AGU      plan-4    N3        0.020
 AGU      plan-4    HN41      0.020
 AGU      plan-4    HN42      0.020
 AGU      plan-4    HN3       0.020
# ------------------------------------------------------
