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
NLN      NLN 'NORLEUCINE AMIDE                    ' non-polymer        23   9 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NLN
#
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
 NLN           O      O    O         0.000      0.000    0.000    0.000
 NLN           C      C    C         0.000     -0.992   -0.635   -0.285
 NLN           NH2    N    NH2       0.000     -1.142   -1.124   -1.532
 NLN           HH22   H    H         0.000     -1.969   -1.656   -1.776
 NLN           HH21   H    H         0.000     -0.428   -0.964   -2.233
 NLN           CA     C    CH1       0.000     -2.057   -0.876    0.752
 NLN           HA     H    H         0.000     -2.559   -1.832    0.546
 NLN           N      N    NH2       0.000     -1.441   -0.925    2.085
 NLN           H2     H    H         0.000     -0.433   -0.897    2.184
 NLN           H      H    H         0.000     -2.020   -0.986    2.914
 NLN           CB     C    CH2       0.000     -3.082    0.258    0.706
 NLN           HB2    H    H         0.000     -3.538    0.294   -0.286
 NLN           HB3    H    H         0.000     -2.581    1.207    0.909
 NLN           CG     C    CH2       0.000     -4.163    0.014    1.758
 NLN           HG2    H    H         0.000     -3.704   -0.023    2.748
 NLN           HG3    H    H         0.000     -4.661   -0.936    1.553
 NLN           CD     C    CH2       0.000     -5.187    1.148    1.713
 NLN           HD2    H    H         0.000     -5.645    1.185    0.722
 NLN           HD3    H    H         0.000     -4.687    2.097    1.916
 NLN           CE     C    CH3       0.000     -6.269    0.904    2.767
 NLN           HE3    H    H         0.000     -6.756   -0.018    2.571
 NLN           HE2    H    H         0.000     -5.827    0.869    3.730
 NLN           HE1    H    H         0.000     -6.981    1.689    2.736
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
 NLN      O      n/a    C      START
 NLN      C      O      CA     .
 NLN      NH2    C      HH21   .
 NLN      HH22   NH2    .      .
 NLN      HH21   NH2    .      .
 NLN      CA     C      CB     .
 NLN      HA     CA     .      .
 NLN      N      CA     H      .
 NLN      H2     N      .      .
 NLN      H      N      .      .
 NLN      CB     CA     CG     .
 NLN      HB2    CB     .      .
 NLN      HB3    CB     .      .
 NLN      CG     CB     CD     .
 NLN      HG2    CG     .      .
 NLN      HG3    CG     .      .
 NLN      CD     CG     CE     .
 NLN      HD2    CD     .      .
 NLN      HD3    CD     .      .
 NLN      CE     CD     HE1    .
 NLN      HE3    CE     .      .
 NLN      HE2    CE     .      .
 NLN      HE1    CE     .      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
 NLN      N      CA        single      1.450    0.020
 NLN      H      N         single      1.010    0.020
 NLN      H2     N         single      1.010    0.020
 NLN      CA     C         single      1.500    0.020
 NLN      CB     CA        single      1.524    0.020
 NLN      HA     CA        single      1.099    0.020
 NLN      C      O         double      1.220    0.020
 NLN      NH2    C         single      1.332    0.020
 NLN      CG     CB        single      1.524    0.020
 NLN      HB2    CB        single      1.092    0.020
 NLN      HB3    CB        single      1.092    0.020
 NLN      CD     CG        single      1.524    0.020
 NLN      HG2    CG        single      1.092    0.020
 NLN      HG3    CG        single      1.092    0.020
 NLN      CE     CD        single      1.513    0.020
 NLN      HD2    CD        single      1.092    0.020
 NLN      HD3    CD        single      1.092    0.020
 NLN      HE1    CE        single      1.059    0.020
 NLN      HE2    CE        single      1.059    0.020
 NLN      HE3    CE        single      1.059    0.020
 NLN      HH21   NH2       single      1.010    0.020
 NLN      HH22   NH2       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
 NLN      O      C      NH2     123.000    3.000
 NLN      O      C      CA      120.500    3.000
 NLN      NH2    C      CA      120.000    3.000
 NLN      C      NH2    HH22    120.000    3.000
 NLN      C      NH2    HH21    120.000    3.000
 NLN      HH22   NH2    HH21    120.000    3.000
 NLN      C      CA     HA      108.810    3.000
 NLN      C      CA     N       109.470    3.000
 NLN      C      CA     CB      109.470    3.000
 NLN      HA     CA     N       109.470    3.000
 NLN      HA     CA     CB      108.340    3.000
 NLN      N      CA     CB      109.470    3.000
 NLN      CA     N      H2      120.000    3.000
 NLN      CA     N      H       120.000    3.000
 NLN      H2     N      H       120.000    3.000
 NLN      CA     CB     HB2     109.470    3.000
 NLN      CA     CB     HB3     109.470    3.000
 NLN      CA     CB     CG      111.000    3.000
 NLN      HB2    CB     HB3     107.900    3.000
 NLN      HB2    CB     CG      109.470    3.000
 NLN      HB3    CB     CG      109.470    3.000
 NLN      CB     CG     HG2     109.470    3.000
 NLN      CB     CG     HG3     109.470    3.000
 NLN      CB     CG     CD      111.000    3.000
 NLN      HG2    CG     HG3     107.900    3.000
 NLN      HG2    CG     CD      109.470    3.000
 NLN      HG3    CG     CD      109.470    3.000
 NLN      CG     CD     HD2     109.470    3.000
 NLN      CG     CD     HD3     109.470    3.000
 NLN      CG     CD     CE      111.000    3.000
 NLN      HD2    CD     HD3     107.900    3.000
 NLN      HD2    CD     CE      109.470    3.000
 NLN      HD3    CD     CE      109.470    3.000
 NLN      CD     CE     HE3     109.470    3.000
 NLN      CD     CE     HE2     109.470    3.000
 NLN      CD     CE     HE1     109.470    3.000
 NLN      HE3    CE     HE2     109.470    3.000
 NLN      HE3    CE     HE1     109.470    3.000
 NLN      HE2    CE     HE1     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
 NLN      CONST_1  O      C      NH2    HH21       0.000    0.000   0
 NLN      var_1    O      C      CA     CB        89.978   20.000   3
 NLN      var_2    C      CA     N      H        173.778   20.000   1
 NLN      var_3    C      CA     CB     CG      -179.973   20.000   3
 NLN      var_4    CA     CB     CG     CD       179.970   20.000   3
 NLN      var_5    CB     CG     CD     CE      -179.995   20.000   3
 NLN      var_6    CG     CD     CE     HE1     -179.953   20.000   3
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
 NLN      chir_01  CA     N      C      CB        positiv
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
 NLN      plan-1    N         0.020
 NLN      plan-1    CA        0.020
 NLN      plan-1    H         0.020
 NLN      plan-1    H2        0.020
 NLN      plan-2    C         0.020
 NLN      plan-2    CA        0.020
 NLN      plan-2    O         0.020
 NLN      plan-2    NH2       0.020
 NLN      plan-2    HH22      0.020
 NLN      plan-2    HH21      0.020
 NLN      plan-3    NH2       0.020
 NLN      plan-3    C         0.020
 NLN      plan-3    HH21      0.020
 NLN      plan-3    HH22      0.020
# ------------------------------------------------------
