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
AZP      AZP '"(5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXO' non-polymer        89  46 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_AZP
#
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
 AZP           OBQ    O    O        -0.500      0.000    0.000    0.000
 AZP           CBP    C    C         0.000     -1.004    0.095   -0.740
 AZP           OBR    O    O2       -0.500     -1.538    1.210   -0.931
 AZP           CBS    C    CH2       0.000     -1.031    2.475   -0.306
 AZP           HBS1   H    H         0.000      0.003    2.618   -0.627
 AZP           HBS2   H    H         0.000     -1.059    2.349    0.779
 AZP           CBT    C    CH3       0.000     -1.863    3.697   -0.701
 AZP           HBT3   H    H         0.000     -1.838    3.821   -1.753
 AZP           HBT2   H    H         0.000     -2.868    3.561   -0.388
 AZP           HBT1   H    H         0.000     -1.467    4.564   -0.237
 AZP           CBO    C    CH1       0.000     -1.571   -1.135   -1.403
 AZP           HBO    H    H         0.000     -1.625   -0.974   -2.489
 AZP           OBN    O    OH1       0.000     -0.727   -2.255   -1.128
 AZP           HBN    H    H         0.000     -0.680   -2.396   -0.173
 AZP           CBM    C    CH2       0.000     -2.974   -1.407   -0.857
 AZP           HBM1   H    H         0.000     -3.593   -0.517   -0.985
 AZP           HBM2   H    H         0.000     -2.908   -1.654    0.205
 AZP           CBK    C    C         0.000     -3.589   -2.562   -1.605
 AZP           OBL    O    O         0.000     -2.966   -3.113   -2.489
 AZP           NAZ    N    N         0.000     -4.831   -2.982   -1.294
 AZP           CBA    C    CH2       0.000     -5.428   -4.105   -2.022
 AZP           HBA1   H    H         0.000     -5.493   -3.857   -3.083
 AZP           HBA2   H    H         0.000     -6.430   -4.299   -1.633
 AZP           CBB    C    CH2       0.000     -4.559   -5.351   -1.840
 AZP           HBB1   H    H         0.000     -4.494   -5.598   -0.778
 AZP           HBB2   H    H         0.000     -3.557   -5.155   -2.228
 AZP           CBC    C    C         0.000     -5.174   -6.505   -2.590
 AZP           OBD    O    O         0.000     -6.206   -6.346   -3.207
 AZP           NBE    N    NH2       0.000     -4.578   -7.713   -2.572
 AZP           HBE2   H    H         0.000     -4.987   -8.492   -3.074
 AZP           HBE1   H    H         0.000     -3.717   -7.851   -2.056
 AZP           NAX    N    NH1       0.000     -5.550   -2.346   -0.274
 AZP           HAX    H    H         0.000     -5.311   -2.514    0.693
 AZP           CAU    C    C         0.000     -6.560   -1.510   -0.583
 AZP           OAY    O    O         0.000     -6.847   -1.307   -1.744
 AZP           CAT    C    CH1       0.000     -7.335   -0.826    0.514
 AZP           HAT    H    H         0.000     -6.652   -0.207    1.113
 AZP           CAV    C    CH2       0.000     -7.988   -1.879    1.411
 AZP           HAV1   H    H         0.000     -7.224   -2.567    1.779
 AZP           HAV2   H    H         0.000     -8.731   -2.436    0.835
 AZP           CAW    C    CR6       0.000     -8.659   -1.200    2.576
 AZP           CBJ    C    CR16      0.000     -7.956   -0.982    3.747
 AZP           HBJ    H    H         0.000     -6.925   -1.302    3.827
 AZP           CBI    C    CR16      0.000     -8.571   -0.356    4.815
 AZP           HBI    H    H         0.000     -8.019   -0.180    5.730
 AZP           CBH    C    CR16      0.000     -9.890    0.045    4.716
 AZP           HBH    H    H         0.000    -10.372    0.534    5.553
 AZP           CBG    C    CR16      0.000    -10.595   -0.178    3.548
 AZP           HBG    H    H         0.000    -11.629    0.135    3.471
 AZP           CBF    C    CR16      0.000     -9.979   -0.800    2.478
 AZP           HBF    H    H         0.000    -10.530   -0.974    1.562
 AZP           NAS    N    NH1       0.000     -8.371    0.025   -0.077
 AZP           HAS    H    H         0.000     -8.732   -0.184   -0.997
 AZP           C      C    C         0.000     -8.843    1.086    0.607
 AZP           O      O    O         0.000     -8.409    1.337    1.712
 AZP           CA     C    CH1       0.000     -9.910    1.960    0.000
 AZP           HA     H    H         0.000    -10.805    1.357   -0.205
 AZP           CB     C    CH2       0.000     -9.391    2.563   -1.307
 AZP           HB1    H    H         0.000     -9.054    1.762   -1.969
 AZP           HB2    H    H         0.000     -8.555    3.232   -1.093
 AZP           CG     C    CH1       0.000    -10.514    3.350   -1.987
 AZP           HG     H    H         0.000    -10.914    4.097   -1.287
 AZP           CD2    C    CH3       0.000    -11.632    2.389   -2.399
 AZP           HD23   H    H         0.000    -12.410    2.932   -2.871
 AZP           HD22   H    H         0.000    -11.248    1.667   -3.073
 AZP           HD21   H    H         0.000    -12.014    1.900   -1.540
 AZP           CD1    C    CH3       0.000     -9.965    4.055   -3.228
 AZP           HD13   H    H         0.000    -10.742    4.599   -3.699
 AZP           HD12   H    H         0.000     -9.191    4.721   -2.944
 AZP           HD11   H    H         0.000     -9.580    3.335   -3.903
 AZP           N      N    NH1       0.000    -10.250    3.037    0.934
 AZP           HN     H    H         0.000     -9.576    3.340    1.622
 AZP           CAI    C    C         0.000    -11.461    3.623    0.874
 AZP           OAL    O    O         0.000    -12.272    3.259    0.046
 AZP           OAH    O    O2        0.000    -11.773    4.613    1.733
 AZP           CAG    C    CH2       0.000    -13.079    5.244    1.669
 AZP           HAG1   H    H         0.000    -13.855    4.493    1.836
 AZP           HAG2   H    H         0.000    -13.217    5.694    0.683
 AZP           CAE    C    CR6       0.000    -13.174    6.311    2.729
 AZP           CAF    C    CR16      0.000    -13.651    5.995    3.987
 AZP           HAF    H    H         0.000    -13.960    4.981    4.210
 AZP           CAA    C    CR16      0.000    -13.732    6.973    4.960
 AZP           HAA    H    H         0.000    -14.098    6.724    5.949
 AZP           CAB    C    CR16      0.000    -13.347    8.269    4.672
 AZP           HAB    H    H         0.000    -13.416    9.036    5.434
 AZP           CAC    C    CR16      0.000    -12.875    8.586    3.412
 AZP           HAC    H    H         0.000    -12.573    9.601    3.187
 AZP           CAD    C    CR16      0.000    -12.789    7.607    2.441
 AZP           HAD    H    H         0.000    -12.420    7.856    1.453
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
 AZP      OBQ    n/a    CBP    START
 AZP      CBP    OBQ    CBO    .
 AZP      OBR    CBP    CBS    .
 AZP      CBS    OBR    CBT    .
 AZP      HBS1   CBS    .      .
 AZP      HBS2   CBS    .      .
 AZP      CBT    CBS    HBT1   .
 AZP      HBT3   CBT    .      .
 AZP      HBT2   CBT    .      .
 AZP      HBT1   CBT    .      .
 AZP      CBO    CBP    CBM    .
 AZP      HBO    CBO    .      .
 AZP      OBN    CBO    HBN    .
 AZP      HBN    OBN    .      .
 AZP      CBM    CBO    CBK    .
 AZP      HBM1   CBM    .      .
 AZP      HBM2   CBM    .      .
 AZP      CBK    CBM    NAZ    .
 AZP      OBL    CBK    .      .
 AZP      NAZ    CBK    NAX    .
 AZP      CBA    NAZ    CBB    .
 AZP      HBA1   CBA    .      .
 AZP      HBA2   CBA    .      .
 AZP      CBB    CBA    CBC    .
 AZP      HBB1   CBB    .      .
 AZP      HBB2   CBB    .      .
 AZP      CBC    CBB    NBE    .
 AZP      OBD    CBC    .      .
 AZP      NBE    CBC    HBE1   .
 AZP      HBE2   NBE    .      .
 AZP      HBE1   NBE    .      .
 AZP      NAX    NAZ    CAU    .
 AZP      HAX    NAX    .      .
 AZP      CAU    NAX    CAT    .
 AZP      OAY    CAU    .      .
 AZP      CAT    CAU    NAS    .
 AZP      HAT    CAT    .      .
 AZP      CAV    CAT    CAW    .
 AZP      HAV1   CAV    .      .
 AZP      HAV2   CAV    .      .
 AZP      CAW    CAV    CBJ    .
 AZP      CBJ    CAW    CBI    .
 AZP      HBJ    CBJ    .      .
 AZP      CBI    CBJ    CBH    .
 AZP      HBI    CBI    .      .
 AZP      CBH    CBI    CBG    .
 AZP      HBH    CBH    .      .
 AZP      CBG    CBH    CBF    .
 AZP      HBG    CBG    .      .
 AZP      CBF    CBG    HBF    .
 AZP      HBF    CBF    .      .
 AZP      NAS    CAT    C      .
 AZP      HAS    NAS    .      .
 AZP      C      NAS    CA     .
 AZP      O      C      .      .
 AZP      CA     C      N      .
 AZP      HA     CA     .      .
 AZP      CB     CA     CG     .
 AZP      HB1    CB     .      .
 AZP      HB2    CB     .      .
 AZP      CG     CB     CD1    .
 AZP      HG     CG     .      .
 AZP      CD2    CG     HD21   .
 AZP      HD23   CD2    .      .
 AZP      HD22   CD2    .      .
 AZP      HD21   CD2    .      .
 AZP      CD1    CG     HD11   .
 AZP      HD13   CD1    .      .
 AZP      HD12   CD1    .      .
 AZP      HD11   CD1    .      .
 AZP      N      CA     CAI    .
 AZP      HN     N      .      .
 AZP      CAI    N      OAH    .
 AZP      OAL    CAI    .      .
 AZP      OAH    CAI    CAG    .
 AZP      CAG    OAH    CAE    .
 AZP      HAG1   CAG    .      .
 AZP      HAG2   CAG    .      .
 AZP      CAE    CAG    CAF    .
 AZP      CAF    CAE    CAA    .
 AZP      HAF    CAF    .      .
 AZP      CAA    CAF    CAB    .
 AZP      HAA    CAA    .      .
 AZP      CAB    CAA    CAC    .
 AZP      HAB    CAB    .      .
 AZP      CAC    CAB    CAD    .
 AZP      HAC    CAC    .      .
 AZP      CAD    CAC    HAD    .
 AZP      HAD    CAD    .      END
 AZP      CAE    CAD    .    ADD
 AZP      CAW    CBF    .    ADD
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
 AZP      CAI    N         single      1.330    0.020
 AZP      N      CA        single      1.450    0.020
 AZP      HN     N         single      1.010    0.020
 AZP      OAH    CAI       single      1.454    0.020
 AZP      OAL    CAI       double      1.220    0.020
 AZP      CAG    OAH       single      1.426    0.020
 AZP      CAE    CAG       single      1.511    0.020
 AZP      HAG1   CAG       single      1.092    0.020
 AZP      HAG2   CAG       single      1.092    0.020
 AZP      CAE    CAD       double      1.390    0.020
 AZP      CAF    CAE       single      1.390    0.020
 AZP      CAD    CAC       single      1.390    0.020
 AZP      HAD    CAD       single      1.083    0.020
 AZP      CAC    CAB       double      1.390    0.020
 AZP      HAC    CAC       single      1.083    0.020
 AZP      CAB    CAA       single      1.390    0.020
 AZP      HAB    CAB       single      1.083    0.020
 AZP      CAA    CAF       double      1.390    0.020
 AZP      HAA    CAA       single      1.083    0.020
 AZP      HAF    CAF       single      1.083    0.020
 AZP      CB     CA        single      1.524    0.020
 AZP      CA     C         single      1.500    0.020
 AZP      HA     CA        single      1.099    0.020
 AZP      CG     CB        single      1.524    0.020
 AZP      HB1    CB        single      1.092    0.020
 AZP      HB2    CB        single      1.092    0.020
 AZP      CD1    CG        single      1.524    0.020
 AZP      CD2    CG        single      1.524    0.020
 AZP      HG     CG        single      1.099    0.020
 AZP      HD11   CD1       single      1.059    0.020
 AZP      HD12   CD1       single      1.059    0.020
 AZP      HD13   CD1       single      1.059    0.020
 AZP      HD21   CD2       single      1.059    0.020
 AZP      HD22   CD2       single      1.059    0.020
 AZP      HD23   CD2       single      1.059    0.020
 AZP      O      C         double      1.220    0.020
 AZP      C      NAS       single      1.330    0.020
 AZP      NAS    CAT       single      1.450    0.020
 AZP      HAS    NAS       single      1.010    0.020
 AZP      CAV    CAT       single      1.524    0.020
 AZP      CAT    CAU       single      1.500    0.020
 AZP      HAT    CAT       single      1.099    0.020
 AZP      CAW    CAV       single      1.511    0.020
 AZP      HAV1   CAV       single      1.092    0.020
 AZP      HAV2   CAV       single      1.092    0.020
 AZP      CAW    CBF       double      1.390    0.020
 AZP      CBJ    CAW       single      1.390    0.020
 AZP      CBF    CBG       single      1.390    0.020
 AZP      HBF    CBF       single      1.083    0.020
 AZP      CBG    CBH       double      1.390    0.020
 AZP      HBG    CBG       single      1.083    0.020
 AZP      CBH    CBI       single      1.390    0.020
 AZP      HBH    CBH       single      1.083    0.020
 AZP      CBI    CBJ       double      1.390    0.020
 AZP      HBI    CBI       single      1.083    0.020
 AZP      HBJ    CBJ       single      1.083    0.020
 AZP      OAY    CAU       double      1.220    0.020
 AZP      CAU    NAX       single      1.330    0.020
 AZP      NAX    NAZ       single      1.320    0.020
 AZP      HAX    NAX       single      1.010    0.020
 AZP      CBA    NAZ       single      1.455    0.020
 AZP      NAZ    CBK       single      1.330    0.020
 AZP      CBB    CBA       single      1.524    0.020
 AZP      HBA1   CBA       single      1.092    0.020
 AZP      HBA2   CBA       single      1.092    0.020
 AZP      CBC    CBB       single      1.510    0.020
 AZP      HBB1   CBB       single      1.092    0.020
 AZP      HBB2   CBB       single      1.092    0.020
 AZP      NBE    CBC       single      1.332    0.020
 AZP      OBD    CBC       double      1.220    0.020
 AZP      HBE1   NBE       single      1.010    0.020
 AZP      HBE2   NBE       single      1.010    0.020
 AZP      OBL    CBK       double      1.220    0.020
 AZP      CBK    CBM       single      1.510    0.020
 AZP      CBM    CBO       single      1.524    0.020
 AZP      HBM1   CBM       single      1.092    0.020
 AZP      HBM2   CBM       single      1.092    0.020
 AZP      OBN    CBO       single      1.432    0.020
 AZP      CBO    CBP       single      1.500    0.020
 AZP      HBO    CBO       single      1.099    0.020
 AZP      HBN    OBN       single      0.967    0.020
 AZP      CBP    OBQ       deloc       1.220    0.020
 AZP      OBR    CBP       deloc       1.454    0.020
 AZP      CBS    OBR       single      1.426    0.020
 AZP      CBT    CBS       single      1.513    0.020
 AZP      HBS1   CBS       single      1.092    0.020
 AZP      HBS2   CBS       single      1.092    0.020
 AZP      HBT1   CBT       single      1.059    0.020
 AZP      HBT2   CBT       single      1.059    0.020
 AZP      HBT3   CBT       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
 AZP      OBQ    CBP    OBR     119.000    3.000
 AZP      OBQ    CBP    CBO     120.500    3.000
 AZP      OBR    CBP    CBO     120.000    3.000
 AZP      CBP    OBR    CBS     120.000    3.000
 AZP      OBR    CBS    HBS1    109.470    3.000
 AZP      OBR    CBS    HBS2    109.470    3.000
 AZP      OBR    CBS    CBT     109.470    3.000
 AZP      HBS1   CBS    HBS2    107.900    3.000
 AZP      HBS1   CBS    CBT     109.470    3.000
 AZP      HBS2   CBS    CBT     109.470    3.000
 AZP      CBS    CBT    HBT3    109.470    3.000
 AZP      CBS    CBT    HBT2    109.470    3.000
 AZP      CBS    CBT    HBT1    109.470    3.000
 AZP      HBT3   CBT    HBT2    109.470    3.000
 AZP      HBT3   CBT    HBT1    109.470    3.000
 AZP      HBT2   CBT    HBT1    109.470    3.000
 AZP      CBP    CBO    HBO     108.810    3.000
 AZP      CBP    CBO    OBN     109.470    3.000
 AZP      CBP    CBO    CBM     109.470    3.000
 AZP      HBO    CBO    OBN     109.470    3.000
 AZP      HBO    CBO    CBM     108.340    3.000
 AZP      OBN    CBO    CBM     109.470    3.000
 AZP      CBO    OBN    HBN     109.470    3.000
 AZP      CBO    CBM    HBM1    109.470    3.000
 AZP      CBO    CBM    HBM2    109.470    3.000
 AZP      CBO    CBM    CBK     109.470    3.000
 AZP      HBM1   CBM    HBM2    107.900    3.000
 AZP      HBM1   CBM    CBK     109.470    3.000
 AZP      HBM2   CBM    CBK     109.470    3.000
 AZP      CBM    CBK    OBL     120.500    3.000
 AZP      CBM    CBK    NAZ     116.500    3.000
 AZP      OBL    CBK    NAZ     123.000    3.000
 AZP      CBK    NAZ    CBA     127.000    3.000
 AZP      CBK    NAZ    NAX     120.000    3.000
 AZP      CBA    NAZ    NAX     120.000    3.000
 AZP      NAZ    CBA    HBA1    109.470    3.000
 AZP      NAZ    CBA    HBA2    109.470    3.000
 AZP      NAZ    CBA    CBB     105.000    3.000
 AZP      HBA1   CBA    HBA2    107.900    3.000
 AZP      HBA1   CBA    CBB     109.470    3.000
 AZP      HBA2   CBA    CBB     109.470    3.000
 AZP      CBA    CBB    HBB1    109.470    3.000
 AZP      CBA    CBB    HBB2    109.470    3.000
 AZP      CBA    CBB    CBC     109.470    3.000
 AZP      HBB1   CBB    HBB2    107.900    3.000
 AZP      HBB1   CBB    CBC     109.470    3.000
 AZP      HBB2   CBB    CBC     109.470    3.000
 AZP      CBB    CBC    OBD     120.500    3.000
 AZP      CBB    CBC    NBE     116.500    3.000
 AZP      OBD    CBC    NBE     123.000    3.000
 AZP      CBC    NBE    HBE2    120.000    3.000
 AZP      CBC    NBE    HBE1    120.000    3.000
 AZP      HBE2   NBE    HBE1    120.000    3.000
 AZP      NAZ    NAX    HAX     120.000    3.000
 AZP      NAZ    NAX    CAU     120.000    3.000
 AZP      HAX    NAX    CAU     120.000    3.000
 AZP      NAX    CAU    OAY     123.000    3.000
 AZP      NAX    CAU    CAT     116.500    3.000
 AZP      OAY    CAU    CAT     120.500    3.000
 AZP      CAU    CAT    HAT     108.810    3.000
 AZP      CAU    CAT    CAV     109.470    3.000
 AZP      CAU    CAT    NAS     111.600    3.000
 AZP      HAT    CAT    CAV     108.340    3.000
 AZP      HAT    CAT    NAS     108.550    3.000
 AZP      CAV    CAT    NAS     110.000    3.000
 AZP      CAT    CAV    HAV1    109.470    3.000
 AZP      CAT    CAV    HAV2    109.470    3.000
 AZP      CAT    CAV    CAW     109.470    3.000
 AZP      HAV1   CAV    HAV2    107.900    3.000
 AZP      HAV1   CAV    CAW     109.470    3.000
 AZP      HAV2   CAV    CAW     109.470    3.000
 AZP      CAV    CAW    CBJ     120.000    3.000
 AZP      CAV    CAW    CBF     120.000    3.000
 AZP      CBJ    CAW    CBF     120.000    3.000
 AZP      CAW    CBJ    HBJ     120.000    3.000
 AZP      CAW    CBJ    CBI     120.000    3.000
 AZP      HBJ    CBJ    CBI     120.000    3.000
 AZP      CBJ    CBI    HBI     120.000    3.000
 AZP      CBJ    CBI    CBH     120.000    3.000
 AZP      HBI    CBI    CBH     120.000    3.000
 AZP      CBI    CBH    HBH     120.000    3.000
 AZP      CBI    CBH    CBG     120.000    3.000
 AZP      HBH    CBH    CBG     120.000    3.000
 AZP      CBH    CBG    HBG     120.000    3.000
 AZP      CBH    CBG    CBF     120.000    3.000
 AZP      HBG    CBG    CBF     120.000    3.000
 AZP      CBG    CBF    HBF     120.000    3.000
 AZP      CBG    CBF    CAW     120.000    3.000
 AZP      HBF    CBF    CAW     120.000    3.000
 AZP      CAT    NAS    HAS     118.500    3.000
 AZP      CAT    NAS    C       121.500    3.000
 AZP      HAS    NAS    C       120.000    3.000
 AZP      NAS    C      O       123.000    3.000
 AZP      NAS    C      CA      116.500    3.000
 AZP      O      C      CA      120.500    3.000
 AZP      C      CA     HA      108.810    3.000
 AZP      C      CA     CB      109.470    3.000
 AZP      C      CA     N       111.600    3.000
 AZP      HA     CA     CB      108.340    3.000
 AZP      HA     CA     N       108.550    3.000
 AZP      CB     CA     N       110.000    3.000
 AZP      CA     CB     HB1     109.470    3.000
 AZP      CA     CB     HB2     109.470    3.000
 AZP      CA     CB     CG      111.000    3.000
 AZP      HB1    CB     HB2     107.900    3.000
 AZP      HB1    CB     CG      109.470    3.000
 AZP      HB2    CB     CG      109.470    3.000
 AZP      CB     CG     HG      108.340    3.000
 AZP      CB     CG     CD2     111.000    3.000
 AZP      CB     CG     CD1     111.000    3.000
 AZP      HG     CG     CD2     108.340    3.000
 AZP      HG     CG     CD1     108.340    3.000
 AZP      CD2    CG     CD1     111.000    3.000
 AZP      CG     CD2    HD23    109.470    3.000
 AZP      CG     CD2    HD22    109.470    3.000
 AZP      CG     CD2    HD21    109.470    3.000
 AZP      HD23   CD2    HD22    109.470    3.000
 AZP      HD23   CD2    HD21    109.470    3.000
 AZP      HD22   CD2    HD21    109.470    3.000
 AZP      CG     CD1    HD13    109.470    3.000
 AZP      CG     CD1    HD12    109.470    3.000
 AZP      CG     CD1    HD11    109.470    3.000
 AZP      HD13   CD1    HD12    109.470    3.000
 AZP      HD13   CD1    HD11    109.470    3.000
 AZP      HD12   CD1    HD11    109.470    3.000
 AZP      CA     N      HN      118.500    3.000
 AZP      CA     N      CAI     121.500    3.000
 AZP      HN     N      CAI     120.000    3.000
 AZP      N      CAI    OAL     123.000    3.000
 AZP      N      CAI    OAH     118.000    3.000
 AZP      OAL    CAI    OAH     119.000    3.000
 AZP      CAI    OAH    CAG     120.000    3.000
 AZP      OAH    CAG    HAG1    109.470    3.000
 AZP      OAH    CAG    HAG2    109.470    3.000
 AZP      OAH    CAG    CAE     109.470    3.000
 AZP      HAG1   CAG    HAG2    107.900    3.000
 AZP      HAG1   CAG    CAE     109.470    3.000
 AZP      HAG2   CAG    CAE     109.470    3.000
 AZP      CAG    CAE    CAF     120.000    3.000
 AZP      CAG    CAE    CAD     120.000    3.000
 AZP      CAF    CAE    CAD     120.000    3.000
 AZP      CAE    CAF    HAF     120.000    3.000
 AZP      CAE    CAF    CAA     120.000    3.000
 AZP      HAF    CAF    CAA     120.000    3.000
 AZP      CAF    CAA    HAA     120.000    3.000
 AZP      CAF    CAA    CAB     120.000    3.000
 AZP      HAA    CAA    CAB     120.000    3.000
 AZP      CAA    CAB    HAB     120.000    3.000
 AZP      CAA    CAB    CAC     120.000    3.000
 AZP      HAB    CAB    CAC     120.000    3.000
 AZP      CAB    CAC    HAC     120.000    3.000
 AZP      CAB    CAC    CAD     120.000    3.000
 AZP      HAC    CAC    CAD     120.000    3.000
 AZP      CAC    CAD    HAD     120.000    3.000
 AZP      CAC    CAD    CAE     120.000    3.000
 AZP      HAD    CAD    CAE     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
 AZP      var_1    OBQ    CBP    OBR    CBS       -0.031   20.000   1
 AZP      var_2    CBP    OBR    CBS    CBT     -179.966   20.000   1
 AZP      var_3    OBR    CBS    CBT    HBT1    -179.940   20.000   3
 AZP      var_4    OBQ    CBP    CBO    CBM      114.947   20.000   3
 AZP      var_5    CBP    CBO    OBN    HBN       59.982   20.000   1
 AZP      var_6    CBP    CBO    CBM    CBK      175.007   20.000   3
 AZP      var_7    CBO    CBM    CBK    NAZ     -179.961   20.000   3
 AZP      CONST_1  CBM    CBK    NAZ    NAX        0.000    0.000   0
 AZP      var_8    CBK    NAZ    CBA    CBB       59.976   20.000   1
 AZP      var_9    NAZ    CBA    CBB    CBC     -179.989   20.000   3
 AZP      var_10   CBA    CBB    CBC    NBE     -179.959   20.000   3
 AZP      CONST_2  CBB    CBC    NBE    HBE1       0.000    0.000   0
 AZP      var_11   CBK    NAZ    NAX    CAU      105.043   20.000   1
 AZP      CONST_3  NAZ    NAX    CAU    CAT      180.000    0.000   0
 AZP      var_12   NAX    CAU    CAT    NAS      179.937   20.000   3
 AZP      var_13   CAU    CAT    CAV    CAW      174.980   20.000   3
 AZP      var_14   CAT    CAV    CAW    CBJ      -90.283   20.000   2
 AZP      CONST_4  CAV    CAW    CBF    CBG      180.000    0.000   0
 AZP      CONST_5  CAV    CAW    CBJ    CBI      180.000    0.000   0
 AZP      CONST_6  CAW    CBJ    CBI    CBH        0.000    0.000   0
 AZP      CONST_7  CBJ    CBI    CBH    CBG        0.000    0.000   0
 AZP      CONST_8  CBI    CBH    CBG    CBF        0.000    0.000   0
 AZP      CONST_9  CBH    CBG    CBF    CAW        0.000    0.000   0
 AZP      var_15   CAU    CAT    NAS    C       -155.014   20.000   3
 AZP      CONST_10 CAT    NAS    C      CA       180.000    0.000   0
 AZP      var_16   NAS    C      CA     N       -179.997   20.000   3
 AZP      var_17   C      CA     CB     CG       174.991   20.000   3
 AZP      var_18   CA     CB     CG     CD1      174.999   20.000   3
 AZP      var_19   CB     CG     CD2    HD21      60.030   20.000   3
 AZP      var_20   CB     CG     CD1    HD11      59.981   20.000   3
 AZP      var_21   C      CA     N      CAI     -155.018   20.000   3
 AZP      CONST_11 CA     N      CAI    OAH      180.000    0.000   0
 AZP      var_22   N      CAI    OAH    CAG     -179.985   20.000   1
 AZP      var_23   CAI    OAH    CAG    CAE     -179.981   20.000   1
 AZP      var_24   OAH    CAG    CAE    CAF      -90.285   20.000   2
 AZP      CONST_12 CAG    CAE    CAD    CAC      180.000    0.000   0
 AZP      CONST_13 CAG    CAE    CAF    CAA      180.000    0.000   0
 AZP      CONST_14 CAE    CAF    CAA    CAB        0.000    0.000   0
 AZP      CONST_15 CAF    CAA    CAB    CAC        0.000    0.000   0
 AZP      CONST_16 CAA    CAB    CAC    CAD        0.000    0.000   0
 AZP      CONST_17 CAB    CAC    CAD    CAE        0.000    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
 AZP      chir_01  CA     N      CB     C         negativ
 AZP      chir_02  CG     CB     CD1    CD2       negativ
 AZP      chir_03  CAT    NAS    CAV    CAU       negativ
 AZP      chir_04  CBO    CBM    OBN    CBP       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
 AZP      plan-1    N         0.020
 AZP      plan-1    CAI       0.020
 AZP      plan-1    CA        0.020
 AZP      plan-1    HN        0.020
 AZP      plan-2    CAI       0.020
 AZP      plan-2    N         0.020
 AZP      plan-2    OAH       0.020
 AZP      plan-2    OAL       0.020
 AZP      plan-2    HN        0.020
 AZP      plan-3    CAE       0.020
 AZP      plan-3    CAG       0.020
 AZP      plan-3    CAD       0.020
 AZP      plan-3    CAF       0.020
 AZP      plan-3    CAC       0.020
 AZP      plan-3    CAB       0.020
 AZP      plan-3    CAA       0.020
 AZP      plan-3    HAD       0.020
 AZP      plan-3    HAC       0.020
 AZP      plan-3    HAB       0.020
 AZP      plan-3    HAA       0.020
 AZP      plan-3    HAF       0.020
 AZP      plan-4    C         0.020
 AZP      plan-4    CA        0.020
 AZP      plan-4    O         0.020
 AZP      plan-4    NAS       0.020
 AZP      plan-4    HAS       0.020
 AZP      plan-5    NAS       0.020
 AZP      plan-5    C         0.020
 AZP      plan-5    CAT       0.020
 AZP      plan-5    HAS       0.020
 AZP      plan-6    CAW       0.020
 AZP      plan-6    CAV       0.020
 AZP      plan-6    CBF       0.020
 AZP      plan-6    CBJ       0.020
 AZP      plan-6    CBG       0.020
 AZP      plan-6    CBH       0.020
 AZP      plan-6    CBI       0.020
 AZP      plan-6    HBF       0.020
 AZP      plan-6    HBG       0.020
 AZP      plan-6    HBH       0.020
 AZP      plan-6    HBI       0.020
 AZP      plan-6    HBJ       0.020
 AZP      plan-7    CAU       0.020
 AZP      plan-7    CAT       0.020
 AZP      plan-7    OAY       0.020
 AZP      plan-7    NAX       0.020
 AZP      plan-7    HAX       0.020
 AZP      plan-8    NAX       0.020
 AZP      plan-8    CAU       0.020
 AZP      plan-8    NAZ       0.020
 AZP      plan-8    HAX       0.020
 AZP      plan-9    NAZ       0.020
 AZP      plan-9    NAX       0.020
 AZP      plan-9    CBA       0.020
 AZP      plan-9    CBK       0.020
 AZP      plan-9    HAX       0.020
 AZP      plan-10   CBC       0.020
 AZP      plan-10   CBB       0.020
 AZP      plan-10   NBE       0.020
 AZP      plan-10   OBD       0.020
 AZP      plan-10   HBE2      0.020
 AZP      plan-10   HBE1      0.020
 AZP      plan-11   NBE       0.020
 AZP      plan-11   CBC       0.020
 AZP      plan-11   HBE1      0.020
 AZP      plan-11   HBE2      0.020
 AZP      plan-12   CBK       0.020
 AZP      plan-12   NAZ       0.020
 AZP      plan-12   OBL       0.020
 AZP      plan-12   CBM       0.020
 AZP      plan-13   CBP       0.020
 AZP      plan-13   CBO       0.020
 AZP      plan-13   OBQ       0.020
 AZP      plan-13   OBR       0.020
# ------------------------------------------------------
