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
NLQ      NLQ 'N~2~-ACETYL-L-GLUTAMINE             ' non-polymer        24  13 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NLQ
#
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
 NLQ           OE1    O    O         0.000      0.000    0.000    0.000
 NLQ           CD     C    C         0.000     -0.328   -0.415   -1.090
 NLQ           NE2    N    NH2       0.000      0.614   -0.740   -1.998
 NLQ           HE22   H    H         0.000      0.346   -1.088   -2.911
 NLQ           HE21   H    H         0.000      1.597   -0.640   -1.773
 NLQ           CG     C    CH2       0.000     -1.787   -0.563   -1.432
 NLQ           HG2    H    H         0.000     -2.000   -1.607   -1.671
 NLQ           HG3    H    H         0.000     -2.023    0.062   -2.296
 NLQ           CB     C    CH2       0.000     -2.638   -0.127   -0.239
 NLQ           HB2    H    H         0.000     -2.424    0.917   -0.003
 NLQ           HB3    H    H         0.000     -2.399   -0.751    0.624
 NLQ           CA     C    CH1       0.000     -4.120   -0.279   -0.586
 NLQ           HA     H    H         0.000     -4.335   -1.331   -0.824
 NLQ           C      C    C         0.000     -4.958    0.150    0.590
 NLQ           O      O    OC       -0.500     -5.291   -0.686    1.459
 NLQ           OXT    O    OC       -0.500     -5.321    1.343    0.698
 NLQ           N      N    NH1       0.000     -4.439    0.558   -1.743
 NLQ           H      H    H         0.000     -3.926    1.413   -1.904
 NLQ           C6     C    C         0.000     -5.417    0.191   -2.594
 NLQ           O4     O    O         0.000     -6.034   -0.836   -2.399
 NLQ           C7     C    CH3       0.000     -5.746    1.052   -3.786
 NLQ           H73    H    H         0.000     -6.044    2.014   -3.457
 NLQ           H72    H    H         0.000     -4.891    1.141   -4.405
 NLQ           H71    H    H         0.000     -6.535    0.608   -4.337
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
 NLQ      OE1    n/a    CD     START
 NLQ      CD     OE1    CG     .
 NLQ      NE2    CD     HE21   .
 NLQ      HE22   NE2    .      .
 NLQ      HE21   NE2    .      .
 NLQ      CG     CD     CB     .
 NLQ      HG2    CG     .      .
 NLQ      HG3    CG     .      .
 NLQ      CB     CG     CA     .
 NLQ      HB2    CB     .      .
 NLQ      HB3    CB     .      .
 NLQ      CA     CB     N      .
 NLQ      HA     CA     .      .
 NLQ      C      CA     OXT    .
 NLQ      O      C      .      .
 NLQ      OXT    C      .      .
 NLQ      N      CA     C6     .
 NLQ      H      N      .      .
 NLQ      C6     N      C7     .
 NLQ      O4     C6     .      .
 NLQ      C7     C6     H71    .
 NLQ      H73    C7     .      .
 NLQ      H72    C7     .      .
 NLQ      H71    C7     .      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
 NLQ      OXT    C         deloc       1.250    0.020
 NLQ      O      C         deloc       1.250    0.020
 NLQ      C      CA        single      1.500    0.020
 NLQ      N      CA        single      1.450    0.020
 NLQ      CA     CB        single      1.524    0.020
 NLQ      HA     CA        single      1.099    0.020
 NLQ      C6     N         single      1.330    0.020
 NLQ      H      N         single      1.010    0.020
 NLQ      O4     C6        double      1.220    0.020
 NLQ      C7     C6        single      1.500    0.020
 NLQ      H71    C7        single      1.059    0.020
 NLQ      H72    C7        single      1.059    0.020
 NLQ      H73    C7        single      1.059    0.020
 NLQ      CB     CG        single      1.524    0.020
 NLQ      HB2    CB        single      1.092    0.020
 NLQ      HB3    CB        single      1.092    0.020
 NLQ      CG     CD        single      1.510    0.020
 NLQ      HG2    CG        single      1.092    0.020
 NLQ      HG3    CG        single      1.092    0.020
 NLQ      NE2    CD        single      1.332    0.020
 NLQ      CD     OE1       double      1.220    0.020
 NLQ      HE21   NE2       single      1.010    0.020
 NLQ      HE22   NE2       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
 NLQ      OE1    CD     NE2     123.000    3.000
 NLQ      OE1    CD     CG      120.500    3.000
 NLQ      NE2    CD     CG      116.500    3.000
 NLQ      CD     NE2    HE22    120.000    3.000
 NLQ      CD     NE2    HE21    120.000    3.000
 NLQ      HE22   NE2    HE21    120.000    3.000
 NLQ      CD     CG     HG2     109.470    3.000
 NLQ      CD     CG     HG3     109.470    3.000
 NLQ      CD     CG     CB      109.470    3.000
 NLQ      HG2    CG     HG3     107.900    3.000
 NLQ      HG2    CG     CB      109.470    3.000
 NLQ      HG3    CG     CB      109.470    3.000
 NLQ      CG     CB     HB2     109.470    3.000
 NLQ      CG     CB     HB3     109.470    3.000
 NLQ      CG     CB     CA      111.000    3.000
 NLQ      HB2    CB     HB3     107.900    3.000
 NLQ      HB2    CB     CA      109.470    3.000
 NLQ      HB3    CB     CA      109.470    3.000
 NLQ      CB     CA     HA      108.340    3.000
 NLQ      CB     CA     C       109.470    3.000
 NLQ      CB     CA     N       110.000    3.000
 NLQ      HA     CA     C       108.810    3.000
 NLQ      HA     CA     N       108.550    3.000
 NLQ      C      CA     N       111.600    3.000
 NLQ      CA     C      O       118.500    3.000
 NLQ      CA     C      OXT     118.500    3.000
 NLQ      O      C      OXT     123.000    3.000
 NLQ      CA     N      H       118.500    3.000
 NLQ      CA     N      C6      121.500    3.000
 NLQ      H      N      C6      120.000    3.000
 NLQ      N      C6     O4      123.000    3.000
 NLQ      N      C6     C7      116.500    3.000
 NLQ      O4     C6     C7      123.000    3.000
 NLQ      C6     C7     H73     109.470    3.000
 NLQ      C6     C7     H72     109.470    3.000
 NLQ      C6     C7     H71     109.470    3.000
 NLQ      H73    C7     H72     109.470    3.000
 NLQ      H73    C7     H71     109.470    3.000
 NLQ      H72    C7     H71     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
 NLQ      CONST_1  OE1    CD     NE2    HE21       0.000    0.000   0
 NLQ      var_1    OE1    CD     CG     CB        -0.078   20.000   3
 NLQ      var_2    CD     CG     CB     CA      -179.928   20.000   3
 NLQ      var_3    CG     CB     CA     N        -60.030   20.000   3
 NLQ      var_4    CB     CA     C      OXT       89.990   20.000   3
 NLQ      var_5    CB     CA     N      C6       149.985   20.000   3
 NLQ      CONST_2  CA     N      C6     C7       180.000    0.000   0
 NLQ      var_6    N      C6     C7     H71     -179.991   20.000   1
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 NLQ      chir_01  CA     C      N      CB        negativ
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
 NLQ      plan-1    C         0.020
 NLQ      plan-1    OXT       0.020
 NLQ      plan-1    O         0.020
 NLQ      plan-1    CA        0.020
 NLQ      plan-2    N         0.020
 NLQ      plan-2    CA        0.020
 NLQ      plan-2    C6        0.020
 NLQ      plan-2    H         0.020
 NLQ      plan-3    C6        0.020
 NLQ      plan-3    N         0.020
 NLQ      plan-3    O4        0.020
 NLQ      plan-3    C7        0.020
 NLQ      plan-3    H         0.020
 NLQ      plan-4    CD        0.020
 NLQ      plan-4    CG        0.020
 NLQ      plan-4    NE2       0.020
 NLQ      plan-4    OE1       0.020
 NLQ      plan-4    HE22      0.020
 NLQ      plan-4    HE21      0.020
 NLQ      plan-5    NE2       0.020
 NLQ      plan-5    CD        0.020
 NLQ      plan-5    HE21      0.020
 NLQ      plan-5    HE22      0.020
# ------------------------------------------------------
