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
NMG      NMG 'GUANIDINO ACETATE                   ' non-polymer        14   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NMG
#
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
 NMG           O2     O    OC       -0.500      0.000    0.000    0.000
 NMG           CG     C    C         0.000     -0.251    0.000    1.226
 NMG           O1     O    OC       -0.500      0.684    0.000    2.056
 NMG           CD     C    CH2       0.000     -1.682    0.000    1.700
 NMG           HD1    H    H         0.000     -1.864    0.891    2.304
 NMG           HD2    H    H         0.000     -1.864   -0.891    2.304
 NMG           NE     N    NH1       0.000     -2.580    0.000    0.544
 NMG           HNE    H    H         0.000     -2.199    0.000   -0.391
 NMG           CZ     C    C         0.000     -3.942    0.000    0.730
 NMG           NH2    N    N         0.000     -4.433    0.000    1.938
 NMG           HH2    H    H         0.000     -3.854    0.000    2.706
 NMG           NH1    N    NH2       0.000     -4.785    0.000   -0.354
 NMG           HH12   H    H         0.000     -4.414    0.000   -1.302
 NMG           HH11   H    H         0.000     -5.795    0.000   -0.229
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
 NMG      O2     n/a    CG     START
 NMG      CG     O2     CD     .
 NMG      O1     CG     .      .
 NMG      CD     CG     NE     .
 NMG      HD1    CD     .      .
 NMG      HD2    CD     .      .
 NMG      NE     CD     CZ     .
 NMG      HNE    NE     .      .
 NMG      CZ     NE     NH1    .
 NMG      NH2    CZ     HH2    .
 NMG      HH2    NH2    .      .
 NMG      NH1    CZ     HH11   .
 NMG      HH12   NH1    .      .
 NMG      HH11   NH1    .      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
 NMG      CD     CG        single      1.510    0.020
 NMG      O1     CG        deloc       1.250    0.020
 NMG      CG     O2        deloc       1.250    0.020
 NMG      NE     CD        single      1.450    0.020
 NMG      HD1    CD        single      1.092    0.020
 NMG      HD2    CD        single      1.092    0.020
 NMG      CZ     NE        single      1.330    0.020
 NMG      HNE    NE        single      1.010    0.020
 NMG      NH1    CZ        single      1.332    0.020
 NMG      NH2    CZ        double      1.260    0.020
 NMG      HH11   NH1       single      1.010    0.020
 NMG      HH12   NH1       single      1.010    0.020
 NMG      HH2    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
 NMG      O2     CG     O1      123.000    3.000
 NMG      O2     CG     CD      118.500    3.000
 NMG      O1     CG     CD      118.500    3.000
 NMG      CG     CD     HD1     109.470    3.000
 NMG      CG     CD     HD2     109.470    3.000
 NMG      CG     CD     NE      111.600    3.000
 NMG      HD1    CD     HD2     107.900    3.000
 NMG      HD1    CD     NE      109.470    3.000
 NMG      HD2    CD     NE      109.470    3.000
 NMG      CD     NE     HNE     118.500    3.000
 NMG      CD     NE     CZ      121.500    3.000
 NMG      HNE    NE     CZ      120.000    3.000
 NMG      NE     CZ     NH2     120.000    3.000
 NMG      NE     CZ     NH1     120.000    3.000
 NMG      NH2    CZ     NH1     120.000    3.000
 NMG      CZ     NH2    HH2     120.000    3.000
 NMG      CZ     NH1    HH12    120.000    3.000
 NMG      CZ     NH1    HH11    120.000    3.000
 NMG      HH12   NH1    HH11    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
 NMG      var_1    O2     CG     CD     NE         0.000   20.000   3
 NMG      var_2    CG     CD     NE     CZ       180.000   20.000   3
 NMG      CONST_1  CD     NE     CZ     NH1      180.000    0.000   0
 NMG      CONST_2  NE     CZ     NH2    HH2        0.000    0.000   0
 NMG      CONST_3  NE     CZ     NH1    HH11     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
 NMG      plan-1    CG        0.020
 NMG      plan-1    CD        0.020
 NMG      plan-1    O1        0.020
 NMG      plan-1    O2        0.020
 NMG      plan-2    NE        0.020
 NMG      plan-2    CD        0.020
 NMG      plan-2    CZ        0.020
 NMG      plan-2    HNE       0.020
 NMG      plan-3    CZ        0.020
 NMG      plan-3    NE        0.020
 NMG      plan-3    NH1       0.020
 NMG      plan-3    NH2       0.020
 NMG      plan-3    HH2       0.020
 NMG      plan-3    HNE       0.020
 NMG      plan-3    HH12      0.020
 NMG      plan-3    HH11      0.020
 NMG      plan-4    NH1       0.020
 NMG      plan-4    CZ        0.020
 NMG      plan-4    HH11      0.020
 NMG      plan-4    HH12      0.020
# ------------------------------------------------------
