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
MGX      MGX '1-METHYLGUANIDINE                   ' non-polymer        12   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_MGX
#
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
 MGX           NH2    N    N         0.000      0.000    0.000    0.000
 MGX           HNH2   H    H         0.000      0.207   -0.939    0.000
 MGX           CZ     C    C         0.000     -1.237    0.412    0.000
 MGX           NH1    N    NH2       0.000     -2.265   -0.501    0.000
 MGX           HH12   H    H         0.000     -3.236   -0.193    0.000
 MGX           HH11   H    H         0.000     -2.074   -1.501    0.000
 MGX           NE     N    NH1       0.000     -1.514    1.758    0.000
 MGX           HNE    H    H         0.000     -0.758    2.429    0.000
 MGX           CD     C    CH3       0.000     -2.903    2.221    0.000
 MGX           HD3    H    H         0.000     -3.399    1.861    0.865
 MGX           HD2    H    H         0.000     -2.926    3.281   -0.001
 MGX           HD1    H    H         0.000     -3.400    1.860   -0.864
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
 MGX      NH2    n/a    CZ     START
 MGX      HNH2   NH2    .      .
 MGX      CZ     NH2    NE     .
 MGX      NH1    CZ     HH11   .
 MGX      HH12   NH1    .      .
 MGX      HH11   NH1    .      .
 MGX      NE     CZ     CD     .
 MGX      HNE    NE     .      .
 MGX      CD     NE     HD1    .
 MGX      HD3    CD     .      .
 MGX      HD2    CD     .      .
 MGX      HD1    CD     .      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
 MGX      CD     NE        single      1.450    0.020
 MGX      HD1    CD        single      1.059    0.020
 MGX      HD2    CD        single      1.059    0.020
 MGX      HD3    CD        single      1.059    0.020
 MGX      NE     CZ        single      1.330    0.020
 MGX      HNE    NE        single      1.010    0.020
 MGX      NH1    CZ        single      1.332    0.020
 MGX      CZ     NH2       double      1.260    0.020
 MGX      HH11   NH1       single      1.010    0.020
 MGX      HH12   NH1       single      1.010    0.020
 MGX      HNH2   NH2       single      0.954    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
 MGX      HNH2   NH2    CZ      120.000    3.000
 MGX      NH2    CZ     NH1     120.000    3.000
 MGX      NH2    CZ     NE      120.000    3.000
 MGX      NH1    CZ     NE      120.000    3.000
 MGX      CZ     NH1    HH12    120.000    3.000
 MGX      CZ     NH1    HH11    120.000    3.000
 MGX      HH12   NH1    HH11    120.000    3.000
 MGX      CZ     NE     HNE     120.000    3.000
 MGX      CZ     NE     CD      121.500    3.000
 MGX      HNE    NE     CD      118.500    3.000
 MGX      NE     CD     HD3     109.470    3.000
 MGX      NE     CD     HD2     109.470    3.000
 MGX      NE     CD     HD1     109.470    3.000
 MGX      HD3    CD     HD2     109.470    3.000
 MGX      HD3    CD     HD1     109.470    3.000
 MGX      HD2    CD     HD1     109.470    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
 MGX      CONST_1  HNH2   NH2    CZ     NE       180.000    0.000   0
 MGX      CONST_2  NH2    CZ     NH1    HH11       0.000    0.000   0
 MGX      CONST_3  NH2    CZ     NE     CD       180.000    0.000   0
 MGX      var_1    CZ     NE     CD     HD1      -59.939   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
 MGX      plan-1    NE        0.020
 MGX      plan-1    CD        0.020
 MGX      plan-1    CZ        0.020
 MGX      plan-1    HNE       0.020
 MGX      plan-2    CZ        0.020
 MGX      plan-2    NE        0.020
 MGX      plan-2    NH1       0.020
 MGX      plan-2    NH2       0.020
 MGX      plan-2    HNH2      0.020
 MGX      plan-2    HNE       0.020
 MGX      plan-2    HH12      0.020
 MGX      plan-2    HH11      0.020
 MGX      plan-3    NH1       0.020
 MGX      plan-3    CZ        0.020
 MGX      plan-3    HH11      0.020
 MGX      plan-3    HH12      0.020
# ------------------------------------------------------
