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
EHA      EHA '(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHY' non-polymer        69  39 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_EHA
#
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
 EHA           OXT    O    OC       -0.500      0.000    0.000    0.000
 EHA           C      C    C         0.000      0.172   -0.628    1.068
 EHA           O      O    OC       -0.500      0.622   -1.795    1.042
 EHA           CA     C    CH2       0.000     -0.163    0.022    2.386
 EHA           HA1    H    H         0.000      0.734    0.070    3.006
 EHA           HA2    H    H         0.000     -0.927   -0.568    2.898
 EHA           N      N    NR5       0.000     -0.668    1.376    2.149
 EHA           CAZ    C    CR15      0.000      0.089    2.515    2.184
 EHA           HAZ    H    H         0.000      1.151    2.549    2.392
 EHA           CBA    C    CR15      0.000     -0.679    3.584    1.922
 EHA           HBA    H    H         0.000     -0.354    4.616    1.881
 EHA           CAW    C    CR56      0.000     -2.040    3.091    1.701
 EHA           CAX    C    CR16      0.000     -3.255    3.704    1.391
 EHA           HAX    H    H         0.000     -3.306    4.778    1.263
 EHA           CAV    C    CR56      0.000     -1.978    1.694    1.855
 EHA           CAU    C    CR16      0.000     -3.133    0.935    1.702
 EHA           HAU    H    H         0.000     -3.093   -0.141    1.820
 EHA           CAT    C    CR16      0.000     -4.327    1.551    1.402
 EHA           HAT    H    H         0.000     -5.224    0.955    1.285
 EHA           CAS    C    CR6       0.000     -4.393    2.934    1.249
 EHA           OBF    O    O2        0.000     -5.580    3.527    0.952
 EHA           CBG    C    CH2       0.000     -6.552    2.483    0.864
 EHA           HBG1   H    H         0.000     -6.608    1.957    1.819
 EHA           HBG2   H    H         0.000     -6.261    1.781    0.080
 EHA           CBH    C    CH2       0.000     -7.919    3.086    0.530
 EHA           HBH1   H    H         0.000     -7.860    3.612   -0.425
 EHA           HBH2   H    H         0.000     -8.207    3.788    1.315
 EHA           CBI    C    CH2       0.000     -8.959    1.968    0.436
 EHA           HBI1   H    H         0.000     -9.015    1.443    1.392
 EHA           HBI2   H    H         0.000     -8.669    1.266   -0.348
 EHA           OBJ    O    O2        0.000    -10.235    2.531    0.125
 EHA           CAF    C    CR6       0.000    -11.113    1.497    0.055
 EHA           CAE    C    CR6       0.000    -12.437    1.747   -0.235
 EHA           CBK    C    CH2       0.000    -12.909    3.159   -0.471
 EHA           HBK1   H    H         0.000    -12.295    3.850    0.110
 EHA           HBK2   H    H         0.000    -13.952    3.250   -0.160
 EHA           CBL    C    CH2       0.000    -12.788    3.494   -1.959
 EHA           HBL1   H    H         0.000    -13.402    2.801   -2.538
 EHA           HBL2   H    H         0.000    -11.745    3.400   -2.269
 EHA           CBM    C    CH3       0.000    -13.266    4.927   -2.201
 EHA           HBM3   H    H         0.000    -14.279    5.020   -1.901
 EHA           HBM2   H    H         0.000    -12.671    5.601   -1.639
 EHA           HBM1   H    H         0.000    -13.183    5.162   -3.231
 EHA           CAA    C    CR16      0.000    -10.664    0.192    0.277
 EHA           HAA    H    H         0.000     -9.619    0.018    0.503
 EHA           CAB    C    CR16      0.000    -11.521   -0.862    0.214
 EHA           HAB    H    H         0.000    -11.159   -1.867    0.388
 EHA           CAC    C    CR66      0.000    -12.880   -0.642   -0.079
 EHA           CAG    C    CR16      0.000    -13.784   -1.712   -0.151
 EHA           HAG    H    H         0.000    -13.444   -2.726    0.020
 EHA           CAD    C    CR66      0.000    -13.344    0.679   -0.301
 EHA           CAJ    C    CR16      0.000    -14.703    0.902   -0.600
 EHA           HAJ    H    H         0.000    -15.060    1.909   -0.777
 EHA           CAI    C    CR16      0.000    -15.563   -0.145   -0.665
 EHA           HAI    H    H         0.000    -16.607    0.035   -0.892
 EHA           CAH    C    CR6       0.000    -15.116   -1.462   -0.443
 EHA           CAK    C    C         0.000    -16.073   -2.582   -0.521
 EHA           OAM    O    O         0.000    -17.223   -2.427   -0.159
 EHA           CAL    C    CR6       0.000    -15.633   -3.895   -1.039
 EHA           CAN    C    CR16      0.000    -16.484   -4.999   -0.965
 EHA           HAN    H    H         0.000    -17.470   -4.896   -0.529
 EHA           CAR    C    CR16      0.000    -14.364   -4.035   -1.608
 EHA           HAR    H    H         0.000    -13.702   -3.180   -1.675
 EHA           CAQ    C    CR16      0.000    -13.958   -5.263   -2.083
 EHA           HAQ    H    H         0.000    -12.971   -5.375   -2.517
 EHA           CAP    C    CR16      0.000    -14.807   -6.354   -2.008
 EHA           HAP    H    H         0.000    -14.484   -7.316   -2.388
 EHA           CAO    C    CR16      0.000    -16.066   -6.221   -1.450
 EHA           HAO    H    H         0.000    -16.725   -7.079   -1.393
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
 EHA      OXT    n/a    C      START
 EHA      C      OXT    CA     .
 EHA      O      C      .      .
 EHA      CA     C      N      .
 EHA      HA1    CA     .      .
 EHA      HA2    CA     .      .
 EHA      N      CA     CAV    .
 EHA      CAZ    N      CBA    .
 EHA      HAZ    CAZ    .      .
 EHA      CBA    CAZ    CAW    .
 EHA      HBA    CBA    .      .
 EHA      CAW    CBA    CAX    .
 EHA      CAX    CAW    HAX    .
 EHA      HAX    CAX    .      .
 EHA      CAV    N      CAU    .
 EHA      CAU    CAV    CAT    .
 EHA      HAU    CAU    .      .
 EHA      CAT    CAU    CAS    .
 EHA      HAT    CAT    .      .
 EHA      CAS    CAT    OBF    .
 EHA      OBF    CAS    CBG    .
 EHA      CBG    OBF    CBH    .
 EHA      HBG1   CBG    .      .
 EHA      HBG2   CBG    .      .
 EHA      CBH    CBG    CBI    .
 EHA      HBH1   CBH    .      .
 EHA      HBH2   CBH    .      .
 EHA      CBI    CBH    OBJ    .
 EHA      HBI1   CBI    .      .
 EHA      HBI2   CBI    .      .
 EHA      OBJ    CBI    CAF    .
 EHA      CAF    OBJ    CAA    .
 EHA      CAE    CAF    CBK    .
 EHA      CBK    CAE    CBL    .
 EHA      HBK1   CBK    .      .
 EHA      HBK2   CBK    .      .
 EHA      CBL    CBK    CBM    .
 EHA      HBL1   CBL    .      .
 EHA      HBL2   CBL    .      .
 EHA      CBM    CBL    HBM1   .
 EHA      HBM3   CBM    .      .
 EHA      HBM2   CBM    .      .
 EHA      HBM1   CBM    .      .
 EHA      CAA    CAF    CAB    .
 EHA      HAA    CAA    .      .
 EHA      CAB    CAA    CAC    .
 EHA      HAB    CAB    .      .
 EHA      CAC    CAB    CAD    .
 EHA      CAG    CAC    HAG    .
 EHA      HAG    CAG    .      .
 EHA      CAD    CAC    CAJ    .
 EHA      CAJ    CAD    CAI    .
 EHA      HAJ    CAJ    .      .
 EHA      CAI    CAJ    CAH    .
 EHA      HAI    CAI    .      .
 EHA      CAH    CAI    CAK    .
 EHA      CAK    CAH    CAL    .
 EHA      OAM    CAK    .      .
 EHA      CAL    CAK    CAR    .
 EHA      CAN    CAL    HAN    .
 EHA      HAN    CAN    .      .
 EHA      CAR    CAL    CAQ    .
 EHA      HAR    CAR    .      .
 EHA      CAQ    CAR    CAP    .
 EHA      HAQ    CAQ    .      .
 EHA      CAP    CAQ    CAO    .
 EHA      HAP    CAP    .      .
 EHA      CAO    CAP    HAO    .
 EHA      HAO    CAO    .      END
 EHA      CAN    CAO    .    ADD
 EHA      CAH    CAG    .    ADD
 EHA      CAD    CAE    .    ADD
 EHA      CAS    CAX    .    ADD
 EHA      CAV    CAW    .    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
 EHA      CAN    CAO       double      1.390    0.020
 EHA      CAN    CAL       single      1.390    0.020
 EHA      HAN    CAN       single      1.083    0.020
 EHA      CAO    CAP       single      1.390    0.020
 EHA      HAO    CAO       single      1.083    0.020
 EHA      CAP    CAQ       double      1.390    0.020
 EHA      HAP    CAP       single      1.083    0.020
 EHA      CAQ    CAR       single      1.390    0.020
 EHA      HAQ    CAQ       single      1.083    0.020
 EHA      CAR    CAL       double      1.390    0.020
 EHA      HAR    CAR       single      1.083    0.020
 EHA      CAL    CAK       single      1.500    0.020
 EHA      OAM    CAK       double      1.220    0.020
 EHA      CAK    CAH       single      1.500    0.020
 EHA      CAH    CAG       double      1.390    0.020
 EHA      CAH    CAI       single      1.390    0.020
 EHA      CAG    CAC       single      1.390    0.020
 EHA      HAG    CAG       single      1.083    0.020
 EHA      CAI    CAJ       double      1.390    0.020
 EHA      HAI    CAI       single      1.083    0.020
 EHA      CAJ    CAD       single      1.390    0.020
 EHA      HAJ    CAJ       single      1.083    0.020
 EHA      CAD    CAE       single      1.490    0.020
 EHA      CAD    CAC       double      1.490    0.020
 EHA      CBK    CAE       single      1.511    0.020
 EHA      CAE    CAF       double      1.487    0.020
 EHA      CBL    CBK       single      1.524    0.020
 EHA      HBK1   CBK       single      1.092    0.020
 EHA      HBK2   CBK       single      1.092    0.020
 EHA      CBM    CBL       single      1.513    0.020
 EHA      HBL1   CBL       single      1.092    0.020
 EHA      HBL2   CBL       single      1.092    0.020
 EHA      HBM1   CBM       single      1.059    0.020
 EHA      HBM2   CBM       single      1.059    0.020
 EHA      HBM3   CBM       single      1.059    0.020
 EHA      CAC    CAB       single      1.390    0.020
 EHA      CAB    CAA       double      1.390    0.020
 EHA      HAB    CAB       single      1.083    0.020
 EHA      CAA    CAF       single      1.390    0.020
 EHA      HAA    CAA       single      1.083    0.020
 EHA      CAF    OBJ       single      1.370    0.020
 EHA      OBJ    CBI       single      1.426    0.020
 EHA      CBI    CBH       single      1.524    0.020
 EHA      HBI1   CBI       single      1.092    0.020
 EHA      HBI2   CBI       single      1.092    0.020
 EHA      CBH    CBG       single      1.524    0.020
 EHA      HBH1   CBH       single      1.092    0.020
 EHA      HBH2   CBH       single      1.092    0.020
 EHA      CBG    OBF       single      1.426    0.020
 EHA      HBG1   CBG       single      1.092    0.020
 EHA      HBG2   CBG       single      1.092    0.020
 EHA      OBF    CAS       single      1.370    0.020
 EHA      CAS    CAX       double      1.390    0.020
 EHA      CAS    CAT       single      1.390    0.020
 EHA      CAX    CAW       single      1.390    0.020
 EHA      HAX    CAX       single      1.083    0.020
 EHA      CAT    CAU       double      1.390    0.020
 EHA      HAT    CAT       single      1.083    0.020
 EHA      CAU    CAV       single      1.390    0.020
 EHA      HAU    CAU       single      1.083    0.020
 EHA      CAV    CAW       double      1.490    0.020
 EHA      CAV    N         single      1.337    0.020
 EHA      CAW    CBA       single      1.440    0.020
 EHA      CBA    CAZ       double      1.380    0.020
 EHA      HBA    CBA       single      1.083    0.020
 EHA      CAZ    N         single      1.337    0.020
 EHA      HAZ    CAZ       single      1.083    0.020
 EHA      N      CA        single      1.462    0.020
 EHA      CA     C         single      1.510    0.020
 EHA      HA1    CA        single      1.092    0.020
 EHA      HA2    CA        single      1.092    0.020
 EHA      O      C         deloc       1.250    0.020
 EHA      C      OXT       deloc       1.250    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
 EHA      OXT    C      O       123.000    3.000
 EHA      OXT    C      CA      118.500    3.000
 EHA      O      C      CA      118.500    3.000
 EHA      C      CA     HA1     109.470    3.000
 EHA      C      CA     HA2     109.470    3.000
 EHA      C      CA     N       109.500    3.000
 EHA      HA1    CA     HA2     107.900    3.000
 EHA      HA1    CA     N       109.500    3.000
 EHA      HA2    CA     N       109.500    3.000
 EHA      CA     N      CAZ     126.000    3.000
 EHA      CA     N      CAV     126.000    3.000
 EHA      CAZ    N      CAV     108.000    3.000
 EHA      N      CAZ    HAZ     126.000    3.000
 EHA      N      CAZ    CBA     108.000    3.000
 EHA      HAZ    CAZ    CBA     126.000    3.000
 EHA      CAZ    CBA    HBA     126.000    3.000
 EHA      CAZ    CBA    CAW     108.000    3.000
 EHA      HBA    CBA    CAW     108.000    3.000
 EHA      CBA    CAW    CAX     126.000    3.000
 EHA      CBA    CAW    CAV     120.000    3.000
 EHA      CAX    CAW    CAV     120.000    3.000
 EHA      CAW    CAX    HAX     120.000    3.000
 EHA      CAW    CAX    CAS     120.000    3.000
 EHA      HAX    CAX    CAS     120.000    3.000
 EHA      N      CAV    CAU     132.000    3.000
 EHA      N      CAV    CAW     108.000    3.000
 EHA      CAU    CAV    CAW     120.000    3.000
 EHA      CAV    CAU    HAU     120.000    3.000
 EHA      CAV    CAU    CAT     120.000    3.000
 EHA      HAU    CAU    CAT     120.000    3.000
 EHA      CAU    CAT    HAT     120.000    3.000
 EHA      CAU    CAT    CAS     120.000    3.000
 EHA      HAT    CAT    CAS     120.000    3.000
 EHA      CAT    CAS    OBF     120.000    3.000
 EHA      CAT    CAS    CAX     120.000    3.000
 EHA      OBF    CAS    CAX     120.000    3.000
 EHA      CAS    OBF    CBG     120.000    3.000
 EHA      OBF    CBG    HBG1    109.470    3.000
 EHA      OBF    CBG    HBG2    109.470    3.000
 EHA      OBF    CBG    CBH     109.470    3.000
 EHA      HBG1   CBG    HBG2    107.900    3.000
 EHA      HBG1   CBG    CBH     109.470    3.000
 EHA      HBG2   CBG    CBH     109.470    3.000
 EHA      CBG    CBH    HBH1    109.470    3.000
 EHA      CBG    CBH    HBH2    109.470    3.000
 EHA      CBG    CBH    CBI     111.000    3.000
 EHA      HBH1   CBH    HBH2    107.900    3.000
 EHA      HBH1   CBH    CBI     109.470    3.000
 EHA      HBH2   CBH    CBI     109.470    3.000
 EHA      CBH    CBI    HBI1    109.470    3.000
 EHA      CBH    CBI    HBI2    109.470    3.000
 EHA      CBH    CBI    OBJ     109.470    3.000
 EHA      HBI1   CBI    HBI2    107.900    3.000
 EHA      HBI1   CBI    OBJ     109.470    3.000
 EHA      HBI2   CBI    OBJ     109.470    3.000
 EHA      CBI    OBJ    CAF     120.000    3.000
 EHA      OBJ    CAF    CAE     120.000    3.000
 EHA      OBJ    CAF    CAA     120.000    3.000
 EHA      CAE    CAF    CAA     120.000    3.000
 EHA      CAF    CAE    CBK     120.000    3.000
 EHA      CAF    CAE    CAD     120.000    3.000
 EHA      CBK    CAE    CAD     120.000    3.000
 EHA      CAE    CBK    HBK1    109.470    3.000
 EHA      CAE    CBK    HBK2    109.470    3.000
 EHA      CAE    CBK    CBL     109.470    3.000
 EHA      HBK1   CBK    HBK2    107.900    3.000
 EHA      HBK1   CBK    CBL     109.470    3.000
 EHA      HBK2   CBK    CBL     109.470    3.000
 EHA      CBK    CBL    HBL1    109.470    3.000
 EHA      CBK    CBL    HBL2    109.470    3.000
 EHA      CBK    CBL    CBM     111.000    3.000
 EHA      HBL1   CBL    HBL2    107.900    3.000
 EHA      HBL1   CBL    CBM     109.470    3.000
 EHA      HBL2   CBL    CBM     109.470    3.000
 EHA      CBL    CBM    HBM3    109.470    3.000
 EHA      CBL    CBM    HBM2    109.470    3.000
 EHA      CBL    CBM    HBM1    109.470    3.000
 EHA      HBM3   CBM    HBM2    109.470    3.000
 EHA      HBM3   CBM    HBM1    109.470    3.000
 EHA      HBM2   CBM    HBM1    109.470    3.000
 EHA      CAF    CAA    HAA     120.000    3.000
 EHA      CAF    CAA    CAB     120.000    3.000
 EHA      HAA    CAA    CAB     120.000    3.000
 EHA      CAA    CAB    HAB     120.000    3.000
 EHA      CAA    CAB    CAC     120.000    3.000
 EHA      HAB    CAB    CAC     120.000    3.000
 EHA      CAB    CAC    CAG     120.000    3.000
 EHA      CAB    CAC    CAD     120.000    3.000
 EHA      CAG    CAC    CAD     120.000    3.000
 EHA      CAC    CAG    HAG     120.000    3.000
 EHA      CAC    CAG    CAH     120.000    3.000
 EHA      HAG    CAG    CAH     120.000    3.000
 EHA      CAC    CAD    CAJ     120.000    3.000
 EHA      CAC    CAD    CAE     120.000    3.000
 EHA      CAJ    CAD    CAE     120.000    3.000
 EHA      CAD    CAJ    HAJ     120.000    3.000
 EHA      CAD    CAJ    CAI     120.000    3.000
 EHA      HAJ    CAJ    CAI     120.000    3.000
 EHA      CAJ    CAI    HAI     120.000    3.000
 EHA      CAJ    CAI    CAH     120.000    3.000
 EHA      HAI    CAI    CAH     120.000    3.000
 EHA      CAI    CAH    CAK     120.000    3.000
 EHA      CAI    CAH    CAG     120.000    3.000
 EHA      CAK    CAH    CAG     120.000    3.000
 EHA      CAH    CAK    OAM     120.500    3.000
 EHA      CAH    CAK    CAL     120.000    3.000
 EHA      OAM    CAK    CAL     120.500    3.000
 EHA      CAK    CAL    CAN     120.000    3.000
 EHA      CAK    CAL    CAR     120.000    3.000
 EHA      CAN    CAL    CAR     120.000    3.000
 EHA      CAL    CAN    HAN     120.000    3.000
 EHA      CAL    CAN    CAO     120.000    3.000
 EHA      HAN    CAN    CAO     120.000    3.000
 EHA      CAL    CAR    HAR     120.000    3.000
 EHA      CAL    CAR    CAQ     120.000    3.000
 EHA      HAR    CAR    CAQ     120.000    3.000
 EHA      CAR    CAQ    HAQ     120.000    3.000
 EHA      CAR    CAQ    CAP     120.000    3.000
 EHA      HAQ    CAQ    CAP     120.000    3.000
 EHA      CAQ    CAP    HAP     120.000    3.000
 EHA      CAQ    CAP    CAO     120.000    3.000
 EHA      HAP    CAP    CAO     120.000    3.000
 EHA      CAP    CAO    HAO     120.000    3.000
 EHA      CAP    CAO    CAN     120.000    3.000
 EHA      HAO    CAO    CAN     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
 EHA      var_1    OXT    C      CA     N         -0.036   20.000   3
 EHA      var_2    C      CA     N      CAV       85.018   20.000   1
 EHA      CONST_1  CA     N      CAZ    CBA      180.000    0.000   0
 EHA      CONST_2  N      CAZ    CBA    CAW        0.000    0.000   0
 EHA      CONST_3  CAZ    CBA    CAW    CAX      180.000    0.000   0
 EHA      CONST_4  CBA    CAW    CAX    CAS      180.000    0.000   0
 EHA      CONST_5  CA     N      CAV    CAU        0.000    0.000   0
 EHA      CONST_6  N      CAV    CAW    CBA        0.000    0.000   0
 EHA      CONST_7  N      CAV    CAU    CAT      180.000    0.000   0
 EHA      CONST_8  CAV    CAU    CAT    CAS        0.000    0.000   0
 EHA      CONST_9  CAU    CAT    CAS    OBF      180.000    0.000   0
 EHA      CONST_10 CAT    CAS    CAX    CAW        0.000    0.000   0
 EHA      var_3    CAT    CAS    OBF    CBG       -0.016   20.000   1
 EHA      var_4    CAS    OBF    CBG    CBH      179.999   20.000   1
 EHA      var_5    OBF    CBG    CBH    CBI     -179.978   20.000   3
 EHA      var_6    CBG    CBH    CBI    OBJ      179.983   20.000   3
 EHA      var_7    CBH    CBI    OBJ    CAF      179.999   20.000   1
 EHA      var_8    CBI    OBJ    CAF    CAA        0.024   20.000   1
 EHA      CONST_11 OBJ    CAF    CAE    CBK        0.000    0.000   0
 EHA      var_9    CAF    CAE    CBK    CBL       90.022   20.000   2
 EHA      var_10   CAE    CBK    CBL    CBM     -179.964   20.000   3
 EHA      var_11   CBK    CBL    CBM    HBM1    -179.986   20.000   3
 EHA      CONST_12 OBJ    CAF    CAA    CAB      180.000    0.000   0
 EHA      CONST_13 CAF    CAA    CAB    CAC        0.000    0.000   0
 EHA      CONST_14 CAA    CAB    CAC    CAD        0.000    0.000   0
 EHA      CONST_15 CAB    CAC    CAG    CAH      180.000    0.000   0
 EHA      CONST_16 CAB    CAC    CAD    CAJ      180.000    0.000   0
 EHA      CONST_17 CAC    CAD    CAE    CAF        0.000    0.000   0
 EHA      CONST_18 CAC    CAD    CAJ    CAI        0.000    0.000   0
 EHA      CONST_19 CAD    CAJ    CAI    CAH        0.000    0.000   0
 EHA      CONST_20 CAJ    CAI    CAH    CAK      180.000    0.000   0
 EHA      CONST_21 CAI    CAH    CAG    CAC        0.000    0.000   0
 EHA      var_12   CAI    CAH    CAK    CAL      145.766   20.000   1
 EHA      var_13   CAH    CAK    CAL    CAR       -7.960   20.000   1
 EHA      CONST_22 CAK    CAL    CAN    CAO      180.000    0.000   0
 EHA      CONST_23 CAL    CAN    CAO    CAP        0.000    0.000   0
 EHA      CONST_24 CAK    CAL    CAR    CAQ      180.000    0.000   0
 EHA      CONST_25 CAL    CAR    CAQ    CAP        0.000    0.000   0
 EHA      CONST_26 CAR    CAQ    CAP    CAO        0.000    0.000   0
 EHA      CONST_27 CAQ    CAP    CAO    CAN        0.000    0.000   0
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
 EHA      plan-1    CAN       0.020
 EHA      plan-1    CAO       0.020
 EHA      plan-1    CAL       0.020
 EHA      plan-1    HAN       0.020
 EHA      plan-1    CAP       0.020
 EHA      plan-1    CAQ       0.020
 EHA      plan-1    CAR       0.020
 EHA      plan-1    HAO       0.020
 EHA      plan-1    HAP       0.020
 EHA      plan-1    HAQ       0.020
 EHA      plan-1    HAR       0.020
 EHA      plan-1    CAK       0.020
 EHA      plan-2    CAK       0.020
 EHA      plan-2    CAL       0.020
 EHA      plan-2    OAM       0.020
 EHA      plan-2    CAH       0.020
 EHA      plan-3    CAH       0.020
 EHA      plan-3    CAK       0.020
 EHA      plan-3    CAG       0.020
 EHA      plan-3    CAI       0.020
 EHA      plan-3    CAJ       0.020
 EHA      plan-3    CAC       0.020
 EHA      plan-3    HAG       0.020
 EHA      plan-3    HAI       0.020
 EHA      plan-3    CAD       0.020
 EHA      plan-3    HAJ       0.020
 EHA      plan-3    CAE       0.020
 EHA      plan-3    CAB       0.020
 EHA      plan-3    CAA       0.020
 EHA      plan-3    CAF       0.020
 EHA      plan-3    CBK       0.020
 EHA      plan-3    HAB       0.020
 EHA      plan-3    HAA       0.020
 EHA      plan-3    OBJ       0.020
 EHA      plan-4    CAS       0.020
 EHA      plan-4    OBF       0.020
 EHA      plan-4    CAX       0.020
 EHA      plan-4    CAT       0.020
 EHA      plan-4    CAU       0.020
 EHA      plan-4    CAW       0.020
 EHA      plan-4    HAX       0.020
 EHA      plan-4    HAT       0.020
 EHA      plan-4    CAV       0.020
 EHA      plan-4    HAU       0.020
 EHA      plan-4    N         0.020
 EHA      plan-4    CBA       0.020
 EHA      plan-4    CAZ       0.020
 EHA      plan-4    HBA       0.020
 EHA      plan-4    HAZ       0.020
 EHA      plan-4    CA        0.020
 EHA      plan-5    C         0.020
 EHA      plan-5    CA        0.020
 EHA      plan-5    O         0.020
 EHA      plan-5    OXT       0.020
# ------------------------------------------------------
