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
NMU      NMU 'N-METHYLUREA                        ' non-polymer        11   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NMU
#
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
 NMU           O2     O    O         0.000      0.000    0.000    0.000
 NMU           C1     C    C         0.000     -1.128    0.454    0.000
 NMU           N3     N    NH2       0.000     -2.189   -0.377    0.000
 NMU           HN32   H    H         0.000     -2.051   -1.381    0.000
 NMU           HN31   H    H         0.000     -3.130   -0.003    0.000
 NMU           N4     N    NH1       0.000     -1.316    1.789    0.000
 NMU           HN4    H    H         0.000     -2.252    2.167    0.000
 NMU           C5     C    CH3       0.000     -0.163    2.692    0.000
 NMU           H53    H    H         0.000      0.426    2.519    0.865
 NMU           H52    H    H         0.000      0.426    2.519   -0.865
 NMU           H51    H    H         0.000     -0.498    3.698    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
 NMU      O2     n/a    C1     START
 NMU      C1     O2     N4     .
 NMU      N3     C1     HN31   .
 NMU      HN32   N3     .      .
 NMU      HN31   N3     .      .
 NMU      N4     C1     C5     .
 NMU      HN4    N4     .      .
 NMU      C5     N4     H51    .
 NMU      H53    C5     .      .
 NMU      H52    C5     .      .
 NMU      H51    C5     .      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
 NMU      C1     O2        double      1.220    0.020
 NMU      N3     C1        single      1.332    0.020
 NMU      N4     C1        single      1.330    0.020
 NMU      HN31   N3        single      1.010    0.020
 NMU      HN32   N3        single      1.010    0.020
 NMU      C5     N4        single      1.450    0.020
 NMU      HN4    N4        single      1.010    0.020
 NMU      H51    C5        single      1.059    0.020
 NMU      H52    C5        single      1.059    0.020
 NMU      H53    C5        single      1.059    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
 NMU      O2     C1     N3      123.000    3.000
 NMU      O2     C1     N4      123.000    3.000
 NMU      N3     C1     N4      120.000    3.000
 NMU      C1     N3     HN32    120.000    3.000
 NMU      C1     N3     HN31    120.000    3.000
 NMU      HN32   N3     HN31    120.000    3.000
 NMU      C1     N4     HN4     120.000    3.000
 NMU      C1     N4     C5      121.500    3.000
 NMU      HN4    N4     C5      118.500    3.000
 NMU      N4     C5     H53     109.470    3.000
 NMU      N4     C5     H52     109.470    3.000
 NMU      N4     C5     H51     109.470    3.000
 NMU      H53    C5     H52     109.470    3.000
 NMU      H53    C5     H51     109.470    3.000
 NMU      H52    C5     H51     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
 NMU      CONST_1  O2     C1     N3     HN31     180.000    0.000   0
 NMU      CONST_2  O2     C1     N4     C5         0.000    0.000   0
 NMU      var_1    C1     N4     C5     H51      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
 NMU      plan-1    C1        0.020
 NMU      plan-1    O2        0.020
 NMU      plan-1    N3        0.020
 NMU      plan-1    N4        0.020
 NMU      plan-1    HN32      0.020
 NMU      plan-1    HN31      0.020
 NMU      plan-1    HN4       0.020
 NMU      plan-2    N3        0.020
 NMU      plan-2    C1        0.020
 NMU      plan-2    HN31      0.020
 NMU      plan-2    HN32      0.020
 NMU      plan-3    N4        0.020
 NMU      plan-3    C1        0.020
 NMU      plan-3    C5        0.020
 NMU      plan-3    HN4       0.020
# ------------------------------------------------------
