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
EOP      EOP '{ETHANE-1,2-DIYLBIS[IMINO(2-OXOETHAN' non-polymer        32  18 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_EOP
#
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
 EOP           OAC    O    O         0.000      0.000    0.000    0.000
 EOP           PAQ    P    P         0.000      0.302   -1.088   -0.957
 EOP           OAF    O    OH1       0.000      1.686   -1.800   -0.542
 EOP           HAF    H    H         0.000      2.503   -1.285   -0.509
 EOP           OAE    O    OH1       0.000      0.436   -0.478   -2.441
 EOP           HAE    H    H         0.000      0.633   -1.060   -3.187
 EOP           CAK    C    CH2       0.000     -1.045   -2.316   -0.926
 EOP           HAK1   H    H         0.000     -1.077   -2.796    0.055
 EOP           HAK2   H    H         0.000     -0.866   -3.072   -1.693
 EOP           CAO    C    C         0.000     -2.359   -1.628   -1.193
 EOP           OAA    O    O         0.000     -2.678   -1.352   -2.330
 EOP           NAM    N    NH1       0.000     -3.179   -1.319   -0.169
 EOP           HAM    H    H         0.000     -2.913   -1.549    0.778
 EOP           CAI    C    CH2       0.000     -4.455   -0.650   -0.429
 EOP           HAI1   H    H         0.000     -5.068   -1.277   -1.080
 EOP           HAI2   H    H         0.000     -4.270    0.308   -0.919
 EOP           CAJ    C    CH2       0.000     -5.188   -0.416    0.894
 EOP           HAJ1   H    H         0.000     -4.573    0.211    1.543
 EOP           HAJ2   H    H         0.000     -5.371   -1.375    1.382
 EOP           NAN    N    NH1       0.000     -6.465    0.254    0.634
 EOP           HAN    H    H         0.000     -6.730    0.484   -0.313
 EOP           CAP    C    C         0.000     -7.285    0.562    1.657
 EOP           OAB    O    O         0.000     -6.965    0.287    2.794
 EOP           CAL    C    CH2       0.000     -8.598    1.251    1.389
 EOP           HAL1   H    H         0.000     -9.369    0.828    2.037
 EOP           HAL2   H    H         0.000     -8.880    1.102    0.345
 EOP           PAR    P    P         0.000     -8.429    3.034    1.727
 EOP           OAG    O    O         0.000     -7.931    3.230    3.106
 EOP           OAH    O    OH1       0.000     -7.388    3.682    0.683
 EOP           HAH    H    H         0.000     -7.566    3.640   -0.267
 EOP           OAD    O    OH1       0.000     -9.864    3.749    1.568
 EOP           HAD    H    H         0.000     -9.948    4.702    1.713
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
 EOP      OAC    n/a    PAQ    START
 EOP      PAQ    OAC    CAK    .
 EOP      OAF    PAQ    HAF    .
 EOP      HAF    OAF    .      .
 EOP      OAE    PAQ    HAE    .
 EOP      HAE    OAE    .      .
 EOP      CAK    PAQ    CAO    .
 EOP      HAK1   CAK    .      .
 EOP      HAK2   CAK    .      .
 EOP      CAO    CAK    NAM    .
 EOP      OAA    CAO    .      .
 EOP      NAM    CAO    CAI    .
 EOP      HAM    NAM    .      .
 EOP      CAI    NAM    CAJ    .
 EOP      HAI1   CAI    .      .
 EOP      HAI2   CAI    .      .
 EOP      CAJ    CAI    NAN    .
 EOP      HAJ1   CAJ    .      .
 EOP      HAJ2   CAJ    .      .
 EOP      NAN    CAJ    CAP    .
 EOP      HAN    NAN    .      .
 EOP      CAP    NAN    CAL    .
 EOP      OAB    CAP    .      .
 EOP      CAL    CAP    PAR    .
 EOP      HAL1   CAL    .      .
 EOP      HAL2   CAL    .      .
 EOP      PAR    CAL    OAD    .
 EOP      OAG    PAR    .      .
 EOP      OAH    PAR    HAH    .
 EOP      HAH    OAH    .      .
 EOP      OAD    PAR    HAD    .
 EOP      HAD    OAD    .      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
 EOP      OAD    PAR       single      1.610    0.020
 EOP      HAD    OAD       single      0.967    0.020
 EOP      OAH    PAR       single      1.610    0.020
 EOP      OAG    PAR       double      1.480    0.020
 EOP      PAR    CAL       single      1.812    0.020
 EOP      HAH    OAH       single      0.967    0.020
 EOP      CAL    CAP       single      1.510    0.020
 EOP      HAL1   CAL       single      1.092    0.020
 EOP      HAL2   CAL       single      1.092    0.020
 EOP      OAB    CAP       double      1.220    0.020
 EOP      CAP    NAN       single      1.330    0.020
 EOP      NAN    CAJ       single      1.450    0.020
 EOP      HAN    NAN       single      1.010    0.020
 EOP      CAJ    CAI       single      1.524    0.020
 EOP      HAJ1   CAJ       single      1.092    0.020
 EOP      HAJ2   CAJ       single      1.092    0.020
 EOP      CAI    NAM       single      1.450    0.020
 EOP      HAI1   CAI       single      1.092    0.020
 EOP      HAI2   CAI       single      1.092    0.020
 EOP      NAM    CAO       single      1.330    0.020
 EOP      HAM    NAM       single      1.010    0.020
 EOP      OAA    CAO       double      1.220    0.020
 EOP      CAO    CAK       single      1.510    0.020
 EOP      CAK    PAQ       single      1.812    0.020
 EOP      HAK1   CAK       single      1.092    0.020
 EOP      HAK2   CAK       single      1.092    0.020
 EOP      OAF    PAQ       single      1.610    0.020
 EOP      OAE    PAQ       single      1.610    0.020
 EOP      PAQ    OAC       double      1.480    0.020
 EOP      HAF    OAF       single      0.967    0.020
 EOP      HAE    OAE       single      0.967    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
 EOP      OAC    PAQ    OAF     109.500    3.000
 EOP      OAC    PAQ    OAE     109.500    3.000
 EOP      OAC    PAQ    CAK     109.500    3.000
 EOP      OAF    PAQ    OAE     109.500    3.000
 EOP      OAF    PAQ    CAK     109.500    3.000
 EOP      OAE    PAQ    CAK     109.500    3.000
 EOP      PAQ    OAF    HAF     120.000    3.000
 EOP      PAQ    OAE    HAE     120.000    3.000
 EOP      PAQ    CAK    HAK1    109.500    3.000
 EOP      PAQ    CAK    HAK2    109.500    3.000
 EOP      PAQ    CAK    CAO     109.500    3.000
 EOP      HAK1   CAK    HAK2    107.900    3.000
 EOP      HAK1   CAK    CAO     109.470    3.000
 EOP      HAK2   CAK    CAO     109.470    3.000
 EOP      CAK    CAO    OAA     120.500    3.000
 EOP      CAK    CAO    NAM     116.500    3.000
 EOP      OAA    CAO    NAM     123.000    3.000
 EOP      CAO    NAM    HAM     120.000    3.000
 EOP      CAO    NAM    CAI     121.500    3.000
 EOP      HAM    NAM    CAI     118.500    3.000
 EOP      NAM    CAI    HAI1    109.470    3.000
 EOP      NAM    CAI    HAI2    109.470    3.000
 EOP      NAM    CAI    CAJ     112.000    3.000
 EOP      HAI1   CAI    HAI2    107.900    3.000
 EOP      HAI1   CAI    CAJ     109.470    3.000
 EOP      HAI2   CAI    CAJ     109.470    3.000
 EOP      CAI    CAJ    HAJ1    109.470    3.000
 EOP      CAI    CAJ    HAJ2    109.470    3.000
 EOP      CAI    CAJ    NAN     112.000    3.000
 EOP      HAJ1   CAJ    HAJ2    107.900    3.000
 EOP      HAJ1   CAJ    NAN     109.470    3.000
 EOP      HAJ2   CAJ    NAN     109.470    3.000
 EOP      CAJ    NAN    HAN     118.500    3.000
 EOP      CAJ    NAN    CAP     121.500    3.000
 EOP      HAN    NAN    CAP     120.000    3.000
 EOP      NAN    CAP    OAB     123.000    3.000
 EOP      NAN    CAP    CAL     116.500    3.000
 EOP      OAB    CAP    CAL     120.500    3.000
 EOP      CAP    CAL    HAL1    109.470    3.000
 EOP      CAP    CAL    HAL2    109.470    3.000
 EOP      CAP    CAL    PAR     109.500    3.000
 EOP      HAL1   CAL    HAL2    107.900    3.000
 EOP      HAL1   CAL    PAR     109.500    3.000
 EOP      HAL2   CAL    PAR     109.500    3.000
 EOP      CAL    PAR    OAG     109.500    3.000
 EOP      CAL    PAR    OAH     109.500    3.000
 EOP      CAL    PAR    OAD     109.500    3.000
 EOP      OAG    PAR    OAH     109.500    3.000
 EOP      OAG    PAR    OAD     109.500    3.000
 EOP      OAH    PAR    OAD     109.500    3.000
 EOP      PAR    OAH    HAH     120.000    3.000
 EOP      PAR    OAD    HAD     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
 EOP      var_1    OAC    PAQ    OAF    HAF      -59.978   20.000   1
 EOP      var_2    OAC    PAQ    OAE    HAE     -179.974   20.000   1
 EOP      var_3    OAC    PAQ    CAK    CAO       54.995   20.000   1
 EOP      var_4    PAQ    CAK    CAO    NAM     -100.002   20.000   3
 EOP      CONST_1  CAK    CAO    NAM    CAI      180.000    0.000   0
 EOP      var_5    CAO    NAM    CAI    CAJ     -179.988   20.000   3
 EOP      var_6    NAM    CAI    CAJ    NAN      180.000   20.000   3
 EOP      var_7    CAI    CAJ    NAN    CAP      179.983   20.000   3
 EOP      CONST_2  CAJ    NAN    CAP    CAL      180.000    0.000   0
 EOP      var_8    NAN    CAP    CAL    PAR      -99.994   20.000   3
 EOP      var_9    CAP    CAL    PAR    OAD     -174.982   20.000   1
 EOP      var_10   CAL    PAR    OAH    HAH       59.992   20.000   1
 EOP      var_11   CAL    PAR    OAD    HAD     -179.971   20.000   1
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
 EOP      plan-1    CAP       0.020
 EOP      plan-1    CAL       0.020
 EOP      plan-1    OAB       0.020
 EOP      plan-1    NAN       0.020
 EOP      plan-1    HAN       0.020
 EOP      plan-2    NAN       0.020
 EOP      plan-2    CAP       0.020
 EOP      plan-2    CAJ       0.020
 EOP      plan-2    HAN       0.020
 EOP      plan-3    NAM       0.020
 EOP      plan-3    CAI       0.020
 EOP      plan-3    CAO       0.020
 EOP      plan-3    HAM       0.020
 EOP      plan-4    CAO       0.020
 EOP      plan-4    NAM       0.020
 EOP      plan-4    OAA       0.020
 EOP      plan-4    CAK       0.020
 EOP      plan-4    HAM       0.020
# ------------------------------------------------------
