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
AEE      AEE '6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]' non-polymer        65  33 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_AEE
#
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
 AEE           CAB    C    CH3       0.000      0.000    0.000    0.000
 AEE           HAB1   H    H         0.000     -0.453    0.716    0.636
 AEE           HAB2   H    H         0.000     -0.064   -0.958    0.448
 AEE           HAB3   H    H         0.000      1.018    0.253   -0.146
 AEE           CBE    C    CH1       0.000     -0.722   -0.016   -1.349
 AEE           HBE    H    H         0.000     -0.252   -0.760   -2.007
 AEE           CAZ    C    CR6       0.000     -0.629    1.347   -1.985
 AEE           CAH    C    CR16      0.000     -1.485    2.356   -1.584
 AEE           HAH    H    H         0.000     -2.224    2.166   -0.815
 AEE           CAE    C    CR16      0.000     -1.397    3.607   -2.165
 AEE           HAE    H    H         0.000     -2.063    4.400   -1.847
 AEE           CAC    C    CR16      0.000     -0.459    3.848   -3.151
 AEE           HAC    H    H         0.000     -0.392    4.828   -3.607
 AEE           CAD    C    CR16      0.000      0.394    2.837   -3.555
 AEE           HAD    H    H         0.000      1.128    3.025   -4.329
 AEE           CAG    C    CR16      0.000      0.308    1.587   -2.972
 AEE           HAG    H    H         0.000      0.976    0.796   -3.288
 AEE           NAV    N    NH1       0.000     -2.130   -0.366   -1.146
 AEE           HAV    H    H         0.000     -2.823    0.363   -1.056
 AEE           C6     C    CR6       0.000     -2.510   -1.693   -1.076
 AEE           N1     N    NRD6      0.000     -1.611   -2.666   -1.192
 AEE           C2     C    CR16      0.000     -1.970   -3.936   -1.126
 AEE           H2     H    H         0.000     -1.206   -4.697   -1.225
 AEE           N3     N    NRD6      0.000     -3.217   -4.315   -0.946
 AEE           C4     C    CR56      0.000     -4.191   -3.414   -0.819
 AEE           NAW    N    NR15      0.000     -5.543   -3.496   -0.628
 AEE           HAW    H    H         0.000     -6.081   -4.382   -0.541
 AEE           C5     C    CR56      0.000     -3.855   -2.048   -0.882
 AEE           CAM    C    CR15      0.000     -5.102   -1.309   -0.721
 AEE           HAM    H    H         0.000     -5.221   -0.232   -0.723
 AEE           CBA    C    CR5       0.000     -6.086   -2.230   -0.566
 AEE           CAY    C    CR6       0.000     -7.520   -1.925   -0.368
 AEE           CAK    C    CR16      0.000     -8.278   -2.676    0.531
 AEE           HAK    H    H         0.000     -7.818   -3.484    1.087
 AEE           CAI    C    CR16      0.000     -9.615   -2.386    0.711
 AEE           HAI    H    H         0.000    -10.205   -2.968    1.407
 AEE           CAL    C    CR16      0.000     -8.118   -0.884   -1.079
 AEE           HAL    H    H         0.000     -7.534   -0.295   -1.775
 AEE           CAJ    C    CR16      0.000     -9.458   -0.608   -0.893
 AEE           HAJ    H    H         0.000     -9.926    0.194   -1.450
 AEE           CAX    C    CR6       0.000    -10.203   -1.353    0.004
 AEE           CAS    C    CH2       0.000    -11.663   -1.041    0.205
 AEE           HAS1   H    H         0.000    -12.197   -1.957    0.468
 AEE           HAS2   H    H         0.000    -12.078   -0.633   -0.719
 AEE           NBG    N    NT        0.000    -11.810   -0.058    1.286
 AEE           CAQ    C    CH2       0.000    -13.210    0.381    1.270
 AEE           HAQ2   H    H         0.000    -13.857   -0.462    1.520
 AEE           HAQ1   H    H         0.000    -13.463    0.749    0.273
 AEE           CAR    C    CH2       0.000    -10.994    1.104    0.912
 AEE           HAR1   H    H         0.000    -11.297    1.455   -0.077
 AEE           HAR2   H    H         0.000     -9.942    0.815    0.888
 AEE           CAP    C    CH2       0.000    -11.194    2.223    1.935
 AEE           HAP1   H    H         0.000    -10.545    3.064    1.683
 AEE           HAP2   H    H         0.000    -10.939    1.854    2.930
 AEE           NBF    N    NT        0.000    -12.594    2.663    1.919
 AEE           CAO    C    CH2       0.000    -13.410    1.501    2.293
 AEE           HAO2   H    H         0.000    -14.463    1.790    2.317
 AEE           HAO1   H    H         0.000    -13.107    1.150    3.282
 AEE           CAN    C    CH2       0.000    -12.741    3.647    3.000
 AEE           HAN1   H    H         0.000    -12.562    3.161    3.961
 AEE           HAN2   H    H         0.000    -13.753    4.057    2.984
 AEE           CAA    C    CH3       0.000    -11.729    4.777    2.801
 AEE           HAA3   H    H         0.000    -11.831    5.489    3.580
 AEE           HAA2   H    H         0.000    -10.745    4.381    2.816
 AEE           HAA1   H    H         0.000    -11.901    5.251    1.869
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
 AEE      CAB    n/a    CBE    START
 AEE      HAB1   CAB    .      .
 AEE      HAB2   CAB    .      .
 AEE      HAB3   CAB    .      .
 AEE      CBE    CAB    NAV    .
 AEE      HBE    CBE    .      .
 AEE      CAZ    CBE    CAH    .
 AEE      CAH    CAZ    CAE    .
 AEE      HAH    CAH    .      .
 AEE      CAE    CAH    CAC    .
 AEE      HAE    CAE    .      .
 AEE      CAC    CAE    CAD    .
 AEE      HAC    CAC    .      .
 AEE      CAD    CAC    CAG    .
 AEE      HAD    CAD    .      .
 AEE      CAG    CAD    HAG    .
 AEE      HAG    CAG    .      .
 AEE      NAV    CBE    C6     .
 AEE      HAV    NAV    .      .
 AEE      C6     NAV    C5     .
 AEE      N1     C6     C2     .
 AEE      C2     N1     N3     .
 AEE      H2     C2     .      .
 AEE      N3     C2     C4     .
 AEE      C4     N3     NAW    .
 AEE      NAW    C4     HAW    .
 AEE      HAW    NAW    .      .
 AEE      C5     C6     CAM    .
 AEE      CAM    C5     CBA    .
 AEE      HAM    CAM    .      .
 AEE      CBA    CAM    CAY    .
 AEE      CAY    CBA    CAL    .
 AEE      CAK    CAY    CAI    .
 AEE      HAK    CAK    .      .
 AEE      CAI    CAK    HAI    .
 AEE      HAI    CAI    .      .
 AEE      CAL    CAY    CAJ    .
 AEE      HAL    CAL    .      .
 AEE      CAJ    CAL    CAX    .
 AEE      HAJ    CAJ    .      .
 AEE      CAX    CAJ    CAS    .
 AEE      CAS    CAX    NBG    .
 AEE      HAS1   CAS    .      .
 AEE      HAS2   CAS    .      .
 AEE      NBG    CAS    CAR    .
 AEE      CAQ    NBG    HAQ1   .
 AEE      HAQ2   CAQ    .      .
 AEE      HAQ1   CAQ    .      .
 AEE      CAR    NBG    CAP    .
 AEE      HAR1   CAR    .      .
 AEE      HAR2   CAR    .      .
 AEE      CAP    CAR    NBF    .
 AEE      HAP1   CAP    .      .
 AEE      HAP2   CAP    .      .
 AEE      NBF    CAP    CAN    .
 AEE      CAO    NBF    HAO1   .
 AEE      HAO2   CAO    .      .
 AEE      HAO1   CAO    .      .
 AEE      CAN    NBF    CAA    .
 AEE      HAN1   CAN    .      .
 AEE      HAN2   CAN    .      .
 AEE      CAA    CAN    HAA1   .
 AEE      HAA3   CAA    .      .
 AEE      HAA2   CAA    .      .
 AEE      HAA1   CAA    .      END
 AEE      CAQ    CAO    .    ADD
 AEE      CAX    CAI    .    ADD
 AEE      CBA    NAW    .    ADD
 AEE      C5     C4     .    ADD
 AEE      CAZ    CAG    .    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
 AEE      CAQ    CAO       single      1.524    0.020
 AEE      CAQ    NBG       single      1.469    0.020
 AEE      HAQ1   CAQ       single      1.092    0.020
 AEE      HAQ2   CAQ       single      1.092    0.020
 AEE      CAO    NBF       single      1.469    0.020
 AEE      HAO1   CAO       single      1.092    0.020
 AEE      HAO2   CAO       single      1.092    0.020
 AEE      CAN    NBF       single      1.469    0.020
 AEE      NBF    CAP       single      1.469    0.020
 AEE      CAA    CAN       single      1.513    0.020
 AEE      HAN1   CAN       single      1.092    0.020
 AEE      HAN2   CAN       single      1.092    0.020
 AEE      HAA1   CAA       single      1.059    0.020
 AEE      HAA2   CAA       single      1.059    0.020
 AEE      HAA3   CAA       single      1.059    0.020
 AEE      CAP    CAR       single      1.524    0.020
 AEE      HAP1   CAP       single      1.092    0.020
 AEE      HAP2   CAP       single      1.092    0.020
 AEE      CAR    NBG       single      1.469    0.020
 AEE      HAR1   CAR       single      1.092    0.020
 AEE      HAR2   CAR       single      1.092    0.020
 AEE      NBG    CAS       single      1.469    0.020
 AEE      CAS    CAX       single      1.511    0.020
 AEE      HAS1   CAS       single      1.092    0.020
 AEE      HAS2   CAS       single      1.092    0.020
 AEE      CAX    CAI       double      1.390    0.020
 AEE      CAX    CAJ       single      1.390    0.020
 AEE      CAI    CAK       single      1.390    0.020
 AEE      HAI    CAI       single      1.083    0.020
 AEE      CAK    CAY       double      1.390    0.020
 AEE      HAK    CAK       single      1.083    0.020
 AEE      CAJ    CAL       double      1.390    0.020
 AEE      HAJ    CAJ       single      1.083    0.020
 AEE      CAL    CAY       single      1.390    0.020
 AEE      HAL    CAL       single      1.083    0.020
 AEE      CAY    CBA       single      1.490    0.020
 AEE      CBA    NAW       single      1.340    0.020
 AEE      CBA    CAM       double      1.387    0.020
 AEE      NAW    C4        single      1.340    0.020
 AEE      HAW    NAW       single      1.040    0.020
 AEE      CAM    C5        single      1.440    0.020
 AEE      HAM    CAM       single      1.083    0.020
 AEE      C5     C4        double      1.490    0.020
 AEE      C5     C6        single      1.490    0.020
 AEE      C4     N3        single      1.355    0.020
 AEE      N3     C2        double      1.337    0.020
 AEE      C2     N1        single      1.337    0.020
 AEE      H2     C2        single      1.083    0.020
 AEE      N1     C6        double      1.350    0.020
 AEE      C6     NAV       single      1.350    0.020
 AEE      NAV    CBE       single      1.450    0.020
 AEE      HAV    NAV       single      1.010    0.020
 AEE      CBE    CAB       single      1.524    0.020
 AEE      CAZ    CBE       single      1.480    0.020
 AEE      HBE    CBE       single      1.099    0.020
 AEE      HAB1   CAB       single      1.059    0.020
 AEE      HAB2   CAB       single      1.059    0.020
 AEE      HAB3   CAB       single      1.059    0.020
 AEE      CAZ    CAG       double      1.390    0.020
 AEE      CAH    CAZ       single      1.390    0.020
 AEE      CAG    CAD       single      1.390    0.020
 AEE      HAG    CAG       single      1.083    0.020
 AEE      CAD    CAC       double      1.390    0.020
 AEE      HAD    CAD       single      1.083    0.020
 AEE      CAC    CAE       single      1.390    0.020
 AEE      HAC    CAC       single      1.083    0.020
 AEE      CAE    CAH       double      1.390    0.020
 AEE      HAE    CAE       single      1.083    0.020
 AEE      HAH    CAH       single      1.083    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
 AEE      HAB1   CAB    HAB2    109.470    3.000
 AEE      HAB1   CAB    HAB3    109.470    3.000
 AEE      HAB2   CAB    HAB3    109.470    3.000
 AEE      HAB1   CAB    CBE     109.470    3.000
 AEE      HAB2   CAB    CBE     109.470    3.000
 AEE      HAB3   CAB    CBE     109.470    3.000
 AEE      CAB    CBE    HBE     108.340    3.000
 AEE      CAB    CBE    CAZ     109.470    3.000
 AEE      CAB    CBE    NAV     110.000    3.000
 AEE      HBE    CBE    CAZ     109.470    3.000
 AEE      HBE    CBE    NAV     108.550    3.000
 AEE      CAZ    CBE    NAV     109.470    3.000
 AEE      CBE    CAZ    CAH     120.000    3.000
 AEE      CBE    CAZ    CAG     120.000    3.000
 AEE      CAH    CAZ    CAG     120.000    3.000
 AEE      CAZ    CAH    HAH     120.000    3.000
 AEE      CAZ    CAH    CAE     120.000    3.000
 AEE      HAH    CAH    CAE     120.000    3.000
 AEE      CAH    CAE    HAE     120.000    3.000
 AEE      CAH    CAE    CAC     120.000    3.000
 AEE      HAE    CAE    CAC     120.000    3.000
 AEE      CAE    CAC    HAC     120.000    3.000
 AEE      CAE    CAC    CAD     120.000    3.000
 AEE      HAC    CAC    CAD     120.000    3.000
 AEE      CAC    CAD    HAD     120.000    3.000
 AEE      CAC    CAD    CAG     120.000    3.000
 AEE      HAD    CAD    CAG     120.000    3.000
 AEE      CAD    CAG    HAG     120.000    3.000
 AEE      CAD    CAG    CAZ     120.000    3.000
 AEE      HAG    CAG    CAZ     120.000    3.000
 AEE      CBE    NAV    HAV     118.500    3.000
 AEE      CBE    NAV    C6      120.000    3.000
 AEE      HAV    NAV    C6      120.000    3.000
 AEE      NAV    C6     N1      120.000    3.000
 AEE      NAV    C6     C5      120.000    3.000
 AEE      N1     C6     C5      120.000    3.000
 AEE      C6     N1     C2      120.000    3.000
 AEE      N1     C2     H2      120.000    3.000
 AEE      N1     C2     N3      120.000    3.000
 AEE      H2     C2     N3      120.000    3.000
 AEE      C2     N3     C4      120.000    3.000
 AEE      N3     C4     NAW     132.000    3.000
 AEE      N3     C4     C5      120.000    3.000
 AEE      NAW    C4     C5      108.000    3.000
 AEE      C4     NAW    HAW     126.000    3.000
 AEE      C4     NAW    CBA     108.000    3.000
 AEE      HAW    NAW    CBA     126.000    3.000
 AEE      C6     C5     CAM     132.000    3.000
 AEE      C6     C5     C4      120.000    3.000
 AEE      CAM    C5     C4      120.000    3.000
 AEE      C5     CAM    HAM     108.000    3.000
 AEE      C5     CAM    CBA     108.000    3.000
 AEE      HAM    CAM    CBA     126.000    3.000
 AEE      CAM    CBA    CAY     126.000    3.000
 AEE      CAM    CBA    NAW     108.000    3.000
 AEE      CAY    CBA    NAW     108.000    3.000
 AEE      CBA    CAY    CAK     120.000    3.000
 AEE      CBA    CAY    CAL     120.000    3.000
 AEE      CAK    CAY    CAL     120.000    3.000
 AEE      CAY    CAK    HAK     120.000    3.000
 AEE      CAY    CAK    CAI     120.000    3.000
 AEE      HAK    CAK    CAI     120.000    3.000
 AEE      CAK    CAI    HAI     120.000    3.000
 AEE      CAK    CAI    CAX     120.000    3.000
 AEE      HAI    CAI    CAX     120.000    3.000
 AEE      CAY    CAL    HAL     120.000    3.000
 AEE      CAY    CAL    CAJ     120.000    3.000
 AEE      HAL    CAL    CAJ     120.000    3.000
 AEE      CAL    CAJ    HAJ     120.000    3.000
 AEE      CAL    CAJ    CAX     120.000    3.000
 AEE      HAJ    CAJ    CAX     120.000    3.000
 AEE      CAJ    CAX    CAS     120.000    3.000
 AEE      CAJ    CAX    CAI     120.000    3.000
 AEE      CAS    CAX    CAI     120.000    3.000
 AEE      CAX    CAS    HAS1    109.470    3.000
 AEE      CAX    CAS    HAS2    109.470    3.000
 AEE      CAX    CAS    NBG     109.500    3.000
 AEE      HAS1   CAS    HAS2    107.900    3.000
 AEE      HAS1   CAS    NBG     109.470    3.000
 AEE      HAS2   CAS    NBG     109.470    3.000
 AEE      CAS    NBG    CAQ     109.470    3.000
 AEE      CAS    NBG    CAR     109.470    3.000
 AEE      CAQ    NBG    CAR     109.470    3.000
 AEE      NBG    CAQ    HAQ2    109.470    3.000
 AEE      NBG    CAQ    HAQ1    109.470    3.000
 AEE      NBG    CAQ    CAO     109.470    3.000
 AEE      HAQ2   CAQ    HAQ1    107.900    3.000
 AEE      HAQ2   CAQ    CAO     109.470    3.000
 AEE      HAQ1   CAQ    CAO     109.470    3.000
 AEE      NBG    CAR    HAR1    109.470    3.000
 AEE      NBG    CAR    HAR2    109.470    3.000
 AEE      NBG    CAR    CAP     109.470    3.000
 AEE      HAR1   CAR    HAR2    107.900    3.000
 AEE      HAR1   CAR    CAP     109.470    3.000
 AEE      HAR2   CAR    CAP     109.470    3.000
 AEE      CAR    CAP    HAP1    109.470    3.000
 AEE      CAR    CAP    HAP2    109.470    3.000
 AEE      CAR    CAP    NBF     109.470    3.000
 AEE      HAP1   CAP    HAP2    107.900    3.000
 AEE      HAP1   CAP    NBF     109.470    3.000
 AEE      HAP2   CAP    NBF     109.470    3.000
 AEE      CAP    NBF    CAO     109.470    3.000
 AEE      CAP    NBF    CAN     109.470    3.000
 AEE      CAO    NBF    CAN     109.470    3.000
 AEE      NBF    CAO    HAO2    109.470    3.000
 AEE      NBF    CAO    HAO1    109.470    3.000
 AEE      NBF    CAO    CAQ     109.470    3.000
 AEE      HAO2   CAO    HAO1    107.900    3.000
 AEE      HAO2   CAO    CAQ     109.470    3.000
 AEE      HAO1   CAO    CAQ     109.470    3.000
 AEE      NBF    CAN    HAN1    109.470    3.000
 AEE      NBF    CAN    HAN2    109.470    3.000
 AEE      NBF    CAN    CAA     109.500    3.000
 AEE      HAN1   CAN    HAN2    107.900    3.000
 AEE      HAN1   CAN    CAA     109.470    3.000
 AEE      HAN2   CAN    CAA     109.470    3.000
 AEE      CAN    CAA    HAA3    109.470    3.000
 AEE      CAN    CAA    HAA2    109.470    3.000
 AEE      CAN    CAA    HAA1    109.470    3.000
 AEE      HAA3   CAA    HAA2    109.470    3.000
 AEE      HAA3   CAA    HAA1    109.470    3.000
 AEE      HAA2   CAA    HAA1    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
 AEE      var_1    HAB3   CAB    CBE    NAV      179.989   20.000   3
 AEE      var_2    CAB    CBE    CAZ    CAH      -80.296   20.000   1
 AEE      CONST_1  CBE    CAZ    CAG    CAD      180.000    0.000   0
 AEE      CONST_2  CBE    CAZ    CAH    CAE      180.000    0.000   0
 AEE      CONST_3  CAZ    CAH    CAE    CAC        0.000    0.000   0
 AEE      CONST_4  CAH    CAE    CAC    CAD        0.000    0.000   0
 AEE      CONST_5  CAE    CAC    CAD    CAG        0.000    0.000   0
 AEE      CONST_6  CAC    CAD    CAG    CAZ        0.000    0.000   0
 AEE      var_3    CAB    CBE    NAV    C6       -84.974   20.000   3
 AEE      var_4    CBE    NAV    C6     C5      -179.953   20.000   1
 AEE      CONST_7  NAV    C6     N1     C2       180.000    0.000   0
 AEE      CONST_8  C6     N1     C2     N3         0.000    0.000   0
 AEE      CONST_9  N1     C2     N3     C4         0.000    0.000   0
 AEE      CONST_10 C2     N3     C4     NAW      180.000    0.000   0
 AEE      CONST_11 N3     C4     NAW    CBA      180.000    0.000   0
 AEE      CONST_12 NAV    C6     C5     CAM        0.000    0.000   0
 AEE      CONST_13 C6     C5     C4     N3         0.000    0.000   0
 AEE      CONST_14 C6     C5     CAM    CBA      180.000    0.000   0
 AEE      CONST_15 C5     CAM    CBA    CAY      180.000    0.000   0
 AEE      CONST_16 CAM    CBA    NAW    C4         0.000    0.000   0
 AEE      var_5    CAM    CBA    CAY    CAL       39.652   20.000   1
 AEE      CONST_17 CBA    CAY    CAK    CAI      180.000    0.000   0
 AEE      CONST_18 CAY    CAK    CAI    CAX        0.000    0.000   0
 AEE      CONST_19 CBA    CAY    CAL    CAJ      180.000    0.000   0
 AEE      CONST_20 CAY    CAL    CAJ    CAX        0.000    0.000   0
 AEE      CONST_21 CAL    CAJ    CAX    CAS      180.000    0.000   0
 AEE      CONST_22 CAJ    CAX    CAI    CAK        0.000    0.000   0
 AEE      var_6    CAJ    CAX    CAS    NBG      -90.328   20.000   2
 AEE      var_7    CAX    CAS    NBG    CAR       56.057   20.000   1
 AEE      var_8    CAS    NBG    CAQ    CAO      180.000   20.000   1
 AEE      var_9    NBG    CAQ    CAO    NBF       60.000   20.000   3
 AEE      var_10   CAS    NBG    CAR    CAP      180.000   20.000   1
 AEE      var_11   NBG    CAR    CAP    NBF      -60.000   20.000   3
 AEE      var_12   CAR    CAP    NBF    CAN      180.000   20.000   1
 AEE      var_13   CAP    NBF    CAO    CAQ      -60.000   20.000   1
 AEE      var_14   CAP    NBF    CAN    CAA       56.036   20.000   1
 AEE      var_15   NBF    CAN    CAA    HAA1      60.019   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
 AEE      chir_01  NBF    CAO    CAN    CAP       negativ
 AEE      chir_02  NBG    CAQ    CAR    CAS       positiv
 AEE      chir_03  CBE    NAV    CAB    CAZ       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
 AEE      plan-1    CAX       0.020
 AEE      plan-1    CAS       0.020
 AEE      plan-1    CAI       0.020
 AEE      plan-1    CAJ       0.020
 AEE      plan-1    CAK       0.020
 AEE      plan-1    CAL       0.020
 AEE      plan-1    CAY       0.020
 AEE      plan-1    HAI       0.020
 AEE      plan-1    HAK       0.020
 AEE      plan-1    HAJ       0.020
 AEE      plan-1    HAL       0.020
 AEE      plan-1    CBA       0.020
 AEE      plan-2    CBA       0.020
 AEE      plan-2    CAY       0.020
 AEE      plan-2    NAW       0.020
 AEE      plan-2    CAM       0.020
 AEE      plan-2    C4        0.020
 AEE      plan-2    HAW       0.020
 AEE      plan-2    C5        0.020
 AEE      plan-2    HAM       0.020
 AEE      plan-2    C6        0.020
 AEE      plan-2    N3        0.020
 AEE      plan-2    C2        0.020
 AEE      plan-2    N1        0.020
 AEE      plan-2    H2        0.020
 AEE      plan-2    NAV       0.020
 AEE      plan-2    HAV       0.020
 AEE      plan-3    NAV       0.020
 AEE      plan-3    C6        0.020
 AEE      plan-3    CBE       0.020
 AEE      plan-3    HAV       0.020
 AEE      plan-4    CAZ       0.020
 AEE      plan-4    CBE       0.020
 AEE      plan-4    CAG       0.020
 AEE      plan-4    CAH       0.020
 AEE      plan-4    CAD       0.020
 AEE      plan-4    CAC       0.020
 AEE      plan-4    CAE       0.020
 AEE      plan-4    HAG       0.020
 AEE      plan-4    HAD       0.020
 AEE      plan-4    HAC       0.020
 AEE      plan-4    HAE       0.020
 AEE      plan-4    HAH       0.020
# ------------------------------------------------------
