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
NOT      NOT '6-azido-L-norleucine                ' peptide            23  12 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NOT
#
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
 NOT           N      N    NH2       0.000      0.000    0.000    0.000
 NOT           HN1    H    H         0.000      0.918   -0.029   -0.428
 NOT           HN2    H    H         0.000     -0.364    0.884    0.335
 NOT           CA     C    CH1       0.000     -0.796   -1.228    0.132
 NOT           HA     H    H         0.000     -0.928   -1.465    1.197
 NOT           CB     C    CH2       0.000     -2.165   -1.022   -0.518
 NOT           HB     H    H         0.000     -2.721   -1.961   -0.499
 NOT           HBA    H    H         0.000     -2.031   -0.700   -1.553
 NOT           CG     C    CH2       0.000     -2.940    0.047    0.254
 NOT           HG     H    H         0.000     -2.381    0.985    0.235
 NOT           HGA    H    H         0.000     -3.072   -0.276    1.289
 NOT           C1     C    CH2       0.000     -4.310    0.255   -0.396
 NOT           H1     H    H         0.000     -4.866   -0.685   -0.378
 NOT           H1A    H    H         0.000     -4.175    0.577   -1.431
 NOT           C2     C    CH2       0.000     -5.085    1.324    0.376
 NOT           H2     H    H         0.000     -4.526    2.262    0.357
 NOT           H2A    H    H         0.000     -5.218    1.001    1.410
 NOT           N1     N    N         0.000     -6.396    1.523   -0.248
 NOT           N2     N    N         1.000     -7.333    1.340    0.345
 NOT           N3     N    NS       -1.000     -8.271    1.156    0.937
 NOT           C      C    C         0.000     -0.081   -2.366   -0.551
 NOT           O      O    OC       -0.500     -0.365   -3.548   -0.258
 NOT           OXT    O    OC       -0.500      0.796   -2.127   -1.411
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
 NOT      N      n/a    CA     START
 NOT      HN1    N      .      .
 NOT      HN2    N      .      .
 NOT      CA     N      C      .
 NOT      HA     CA     .      .
 NOT      CB     CA     CG     .
 NOT      HB     CB     .      .
 NOT      HBA    CB     .      .
 NOT      CG     CB     C1     .
 NOT      HG     CG     .      .
 NOT      HGA    CG     .      .
 NOT      C1     CG     C2     .
 NOT      H1     C1     .      .
 NOT      H1A    C1     .      .
 NOT      C2     C1     N1     .
 NOT      H2     C2     .      .
 NOT      H2A    C2     .      .
 NOT      N1     C2     N2     .
 NOT      N2     N1     N3     .
 NOT      N3     N2     .      .
 NOT      C      CA     .      END
 NOT      O      C      .      .
 NOT      OXT    C      .      .
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
 NOT      CA     N         single      1.450    0.020
 NOT      CB     CA        single      1.524    0.020
 NOT      C      CA        single      1.500    0.020
 NOT      HA     CA        single      1.099    0.020
 NOT      OXT    C         deloc       1.250    0.020
 NOT      O      C         deloc       1.250    0.020
 NOT      HB     CB        single      1.092    0.020
 NOT      HBA    CB        single      1.092    0.020
 NOT      CG     CB        single      1.524    0.020
 NOT      C1     CG        single      1.524    0.020
 NOT      HG     CG        single      1.092    0.020
 NOT      HGA    CG        single      1.092    0.020
 NOT      H1     C1        single      1.092    0.020
 NOT      H1A    C1        single      1.092    0.020
 NOT      C2     C1        single      1.524    0.020
 NOT      N1     C2        single      1.455    0.020
 NOT      H2     C2        single      1.092    0.020
 NOT      H2A    C2        single      1.092    0.020
 NOT      N2     N1        double      1.240    0.020
 NOT      N3     N2        double      1.295    0.020
 NOT      HN1    N         single      1.010    0.020
 NOT      HN2    N         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
 NOT      HN1    N      HN2     120.000    3.000
 NOT      HN1    N      CA      120.000    3.000
 NOT      HN2    N      CA      120.000    3.000
 NOT      N      CA     HA      109.470    3.000
 NOT      N      CA     CB      109.470    3.000
 NOT      N      CA     C       109.470    3.000
 NOT      HA     CA     CB      108.340    3.000
 NOT      HA     CA     C       108.810    3.000
 NOT      CB     CA     C       109.470    3.000
 NOT      CA     CB     HB      109.470    3.000
 NOT      CA     CB     HBA     109.470    3.000
 NOT      CA     CB     CG      111.000    3.000
 NOT      HB     CB     HBA     107.900    3.000
 NOT      HB     CB     CG      109.470    3.000
 NOT      HBA    CB     CG      109.470    3.000
 NOT      CB     CG     HG      109.470    3.000
 NOT      CB     CG     HGA     109.470    3.000
 NOT      CB     CG     C1      111.000    3.000
 NOT      HG     CG     HGA     107.900    3.000
 NOT      HG     CG     C1      109.470    3.000
 NOT      HGA    CG     C1      109.470    3.000
 NOT      CG     C1     H1      109.470    3.000
 NOT      CG     C1     H1A     109.470    3.000
 NOT      CG     C1     C2      111.000    3.000
 NOT      H1     C1     H1A     107.900    3.000
 NOT      H1     C1     C2      109.470    3.000
 NOT      H1A    C1     C2      109.470    3.000
 NOT      C1     C2     H2      109.470    3.000
 NOT      C1     C2     H2A     109.470    3.000
 NOT      C1     C2     N1      105.000    3.000
 NOT      H2     C2     H2A     107.900    3.000
 NOT      H2     C2     N1      109.470    3.000
 NOT      H2A    C2     N1      109.470    3.000
 NOT      C2     N1     N2      120.000    3.000
 NOT      N1     N2     N3      120.000    3.000
 NOT      CA     C      O       118.500    3.000
 NOT      CA     C      OXT     118.500    3.000
 NOT      O      C      OXT     123.000    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
 NOT      var_1    HN2    N      CA     C        175.000   20.000   1
 NOT      var_2    N      CA     CB     CG       -64.994   20.000   3
 NOT      var_3    CA     CB     CG     C1       179.972   20.000   3
 NOT      var_4    CB     CG     C1     C2       180.000   20.000   3
 NOT      var_5    CG     C1     C2     N1       179.965   20.000   3
 NOT      var_6    C1     C2     N1     N2       120.012   20.000   1
 NOT      CONST_1  C2     N1     N2     N3      -128.608    0.000   0
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
 NOT      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
 NOT      plan-1    N         0.020
 NOT      plan-1    CA        0.020
 NOT      plan-1    HN1       0.020
 NOT      plan-1    HN2       0.020
 NOT      plan-2    C         0.020
 NOT      plan-2    CA        0.020
 NOT      plan-2    O         0.020
 NOT      plan-2    OXT       0.020
 NOT      plan-3    N1        0.020
 NOT      plan-3    C2        0.020
 NOT      plan-3    N2        0.020
 NOT      plan-3    N3        0.020
# ------------------------------------------------------
