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
EOB      EOB '{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-' non-polymer        36  22 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_EOB
#
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
 EOB           OAD    O    O         0.000      0.000    0.000    0.000
 EOB           PAV    P    P         0.000      0.324    1.278   -0.672
 EOB           OAH    O    OH1       0.000      1.680    1.107   -1.524
 EOB           HAH    H    H         0.000      2.503    0.861   -1.079
 EOB           OAG    O    OH1       0.000      0.527    2.429    0.435
 EOB           HAG    H    H         0.000      0.746    3.330    0.161
 EOB           CAN    C    CH2       0.000     -1.040    1.741   -1.788
 EOB           HAN1   H    H         0.000     -1.119    1.005   -2.591
 EOB           HAN2   H    H         0.000     -0.841    2.726   -2.216
 EOB           CAR    C    C         0.000     -2.332    1.781   -1.013
 EOB           OAB    O    O         0.000     -2.601    2.748   -0.332
 EOB           NAP    N    NH1       0.000     -3.188    0.742   -1.076
 EOB           HAP    H    H         0.000     -2.928   -0.097   -1.574
 EOB           CAT    C    CR6       0.000     -4.438    0.826   -0.451
 EOB           CAL    C    CR16      0.000     -4.975   -0.287    0.179
 EOB           HAL    H    H         0.000     -4.427   -1.221    0.193
 EOB           CAK    C    CR16      0.000     -5.139    2.025   -0.458
 EOB           HAK    H    H         0.000     -4.718    2.895   -0.946
 EOB           CAI    C    CR16      0.000     -6.373    2.109    0.158
 EOB           HAI    H    H         0.000     -6.918    3.045    0.151
 EOB           CAJ    C    CR16      0.000     -6.913    1.001    0.783
 EOB           HAJ    H    H         0.000     -7.880    1.070    1.265
 EOB           CAS    C    CR6       0.000     -6.217   -0.201    0.792
 EOB           NAO    N    NH1       0.000     -6.765   -1.323    1.424
 EOB           HAO    H    H         0.000     -6.167   -1.959    1.932
 EOB           CAQ    C    C         0.000     -8.091   -1.555    1.355
 EOB           OAA    O    O         0.000     -8.795   -0.851    0.663
 EOB           CAM    C    CH2       0.000     -8.699   -2.689    2.138
 EOB           HAM1   H    H         0.000     -9.655   -2.370    2.557
 EOB           HAM2   H    H         0.000     -8.024   -2.974    2.948
 EOB           PAU    P    P         0.000     -8.963   -4.117    1.033
 EOB           OAC    O    O         0.000     -9.779   -3.698   -0.128
 EOB           OAE    O    OH1       0.000     -7.540   -4.668    0.519
 EOB           HAE    H    H         0.000     -6.885   -4.984    1.157
 EOB           OAF    O    OH1       0.000     -9.732   -5.281    1.836
 EOB           HAF    H    H         0.000     -9.950   -6.112    1.392
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
 EOB      OAD    n/a    PAV    START
 EOB      PAV    OAD    CAN    .
 EOB      OAH    PAV    HAH    .
 EOB      HAH    OAH    .      .
 EOB      OAG    PAV    HAG    .
 EOB      HAG    OAG    .      .
 EOB      CAN    PAV    CAR    .
 EOB      HAN1   CAN    .      .
 EOB      HAN2   CAN    .      .
 EOB      CAR    CAN    NAP    .
 EOB      OAB    CAR    .      .
 EOB      NAP    CAR    CAT    .
 EOB      HAP    NAP    .      .
 EOB      CAT    NAP    CAK    .
 EOB      CAL    CAT    HAL    .
 EOB      HAL    CAL    .      .
 EOB      CAK    CAT    CAI    .
 EOB      HAK    CAK    .      .
 EOB      CAI    CAK    CAJ    .
 EOB      HAI    CAI    .      .
 EOB      CAJ    CAI    CAS    .
 EOB      HAJ    CAJ    .      .
 EOB      CAS    CAJ    NAO    .
 EOB      NAO    CAS    CAQ    .
 EOB      HAO    NAO    .      .
 EOB      CAQ    NAO    CAM    .
 EOB      OAA    CAQ    .      .
 EOB      CAM    CAQ    PAU    .
 EOB      HAM1   CAM    .      .
 EOB      HAM2   CAM    .      .
 EOB      PAU    CAM    OAF    .
 EOB      OAC    PAU    .      .
 EOB      OAE    PAU    HAE    .
 EOB      HAE    OAE    .      .
 EOB      OAF    PAU    HAF    .
 EOB      HAF    OAF    .      END
 EOB      CAS    CAL    .    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
 EOB      OAF    PAU       single      1.610    0.020
 EOB      HAF    OAF       single      0.967    0.020
 EOB      OAE    PAU       single      1.610    0.020
 EOB      OAC    PAU       double      1.480    0.020
 EOB      PAU    CAM       single      1.812    0.020
 EOB      HAE    OAE       single      0.967    0.020
 EOB      CAM    CAQ       single      1.510    0.020
 EOB      HAM1   CAM       single      1.092    0.020
 EOB      HAM2   CAM       single      1.092    0.020
 EOB      OAA    CAQ       double      1.220    0.020
 EOB      CAQ    NAO       single      1.330    0.020
 EOB      NAO    CAS       single      1.350    0.020
 EOB      HAO    NAO       single      1.010    0.020
 EOB      CAS    CAL       single      1.390    0.020
 EOB      CAS    CAJ       double      1.390    0.020
 EOB      CAL    CAT       double      1.390    0.020
 EOB      HAL    CAL       single      1.083    0.020
 EOB      CAJ    CAI       single      1.390    0.020
 EOB      HAJ    CAJ       single      1.083    0.020
 EOB      CAI    CAK       double      1.390    0.020
 EOB      HAI    CAI       single      1.083    0.020
 EOB      CAK    CAT       single      1.390    0.020
 EOB      HAK    CAK       single      1.083    0.020
 EOB      CAT    NAP       single      1.350    0.020
 EOB      NAP    CAR       single      1.330    0.020
 EOB      HAP    NAP       single      1.010    0.020
 EOB      OAB    CAR       double      1.220    0.020
 EOB      CAR    CAN       single      1.510    0.020
 EOB      CAN    PAV       single      1.812    0.020
 EOB      HAN1   CAN       single      1.092    0.020
 EOB      HAN2   CAN       single      1.092    0.020
 EOB      OAH    PAV       single      1.610    0.020
 EOB      OAG    PAV       single      1.610    0.020
 EOB      PAV    OAD       double      1.480    0.020
 EOB      HAH    OAH       single      0.967    0.020
 EOB      HAG    OAG       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
 EOB      OAD    PAV    OAH     109.500    3.000
 EOB      OAD    PAV    OAG     109.500    3.000
 EOB      OAD    PAV    CAN     109.500    3.000
 EOB      OAH    PAV    OAG     109.500    3.000
 EOB      OAH    PAV    CAN     109.500    3.000
 EOB      OAG    PAV    CAN     109.500    3.000
 EOB      PAV    OAH    HAH     120.000    3.000
 EOB      PAV    OAG    HAG     120.000    3.000
 EOB      PAV    CAN    HAN1    109.500    3.000
 EOB      PAV    CAN    HAN2    109.500    3.000
 EOB      PAV    CAN    CAR     109.500    3.000
 EOB      HAN1   CAN    HAN2    107.900    3.000
 EOB      HAN1   CAN    CAR     109.470    3.000
 EOB      HAN2   CAN    CAR     109.470    3.000
 EOB      CAN    CAR    OAB     120.500    3.000
 EOB      CAN    CAR    NAP     116.500    3.000
 EOB      OAB    CAR    NAP     123.000    3.000
 EOB      CAR    NAP    HAP     120.000    3.000
 EOB      CAR    NAP    CAT     120.000    3.000
 EOB      HAP    NAP    CAT     120.000    3.000
 EOB      NAP    CAT    CAL     120.000    3.000
 EOB      NAP    CAT    CAK     120.000    3.000
 EOB      CAL    CAT    CAK     120.000    3.000
 EOB      CAT    CAL    HAL     120.000    3.000
 EOB      CAT    CAL    CAS     120.000    3.000
 EOB      HAL    CAL    CAS     120.000    3.000
 EOB      CAT    CAK    HAK     120.000    3.000
 EOB      CAT    CAK    CAI     120.000    3.000
 EOB      HAK    CAK    CAI     120.000    3.000
 EOB      CAK    CAI    HAI     120.000    3.000
 EOB      CAK    CAI    CAJ     120.000    3.000
 EOB      HAI    CAI    CAJ     120.000    3.000
 EOB      CAI    CAJ    HAJ     120.000    3.000
 EOB      CAI    CAJ    CAS     120.000    3.000
 EOB      HAJ    CAJ    CAS     120.000    3.000
 EOB      CAJ    CAS    NAO     120.000    3.000
 EOB      CAJ    CAS    CAL     120.000    3.000
 EOB      NAO    CAS    CAL     120.000    3.000
 EOB      CAS    NAO    HAO     120.000    3.000
 EOB      CAS    NAO    CAQ     120.000    3.000
 EOB      HAO    NAO    CAQ     120.000    3.000
 EOB      NAO    CAQ    OAA     123.000    3.000
 EOB      NAO    CAQ    CAM     116.500    3.000
 EOB      OAA    CAQ    CAM     120.500    3.000
 EOB      CAQ    CAM    HAM1    109.470    3.000
 EOB      CAQ    CAM    HAM2    109.470    3.000
 EOB      CAQ    CAM    PAU     109.500    3.000
 EOB      HAM1   CAM    HAM2    107.900    3.000
 EOB      HAM1   CAM    PAU     109.500    3.000
 EOB      HAM2   CAM    PAU     109.500    3.000
 EOB      CAM    PAU    OAC     109.500    3.000
 EOB      CAM    PAU    OAE     109.500    3.000
 EOB      CAM    PAU    OAF     109.500    3.000
 EOB      OAC    PAU    OAE     109.500    3.000
 EOB      OAC    PAU    OAF     109.500    3.000
 EOB      OAE    PAU    OAF     109.500    3.000
 EOB      PAU    OAE    HAE     120.000    3.000
 EOB      PAU    OAF    HAF     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
 EOB      var_1    OAD    PAV    OAH    HAH      -59.998   20.000   1
 EOB      var_2    OAD    PAV    OAG    HAG      179.917   20.000   1
 EOB      var_3    OAD    PAV    CAN    CAR       54.994   20.000   1
 EOB      var_4    PAV    CAN    CAR    NAP     -100.002   20.000   3
 EOB      CONST_1  CAN    CAR    NAP    CAT      180.000    0.000   0
 EOB      var_5    CAR    NAP    CAT    CAK       37.498   20.000   1
 EOB      CONST_2  NAP    CAT    CAL    CAS      180.000    0.000   0
 EOB      CONST_3  NAP    CAT    CAK    CAI      180.000    0.000   0
 EOB      CONST_4  CAT    CAK    CAI    CAJ        0.000    0.000   0
 EOB      CONST_5  CAK    CAI    CAJ    CAS        0.000    0.000   0
 EOB      CONST_6  CAI    CAJ    CAS    NAO      180.000    0.000   0
 EOB      CONST_7  CAJ    CAS    CAL    CAT        0.000    0.000   0
 EOB      var_6    CAJ    CAS    NAO    CAQ       37.521   20.000   1
 EOB      CONST_8  CAS    NAO    CAQ    CAM      180.000    0.000   0
 EOB      var_7    NAO    CAQ    CAM    PAU     -100.017   20.000   3
 EOB      var_8    CAQ    CAM    PAU    OAF     -174.972   20.000   1
 EOB      var_9    CAM    PAU    OAE    HAE       59.998   20.000   1
 EOB      var_10   CAM    PAU    OAF    HAF     -179.968   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
 EOB      plan-1    CAQ       0.020
 EOB      plan-1    CAM       0.020
 EOB      plan-1    OAA       0.020
 EOB      plan-1    NAO       0.020
 EOB      plan-1    HAO       0.020
 EOB      plan-2    NAO       0.020
 EOB      plan-2    CAQ       0.020
 EOB      plan-2    CAS       0.020
 EOB      plan-2    HAO       0.020
 EOB      plan-3    CAS       0.020
 EOB      plan-3    NAO       0.020
 EOB      plan-3    CAL       0.020
 EOB      plan-3    CAJ       0.020
 EOB      plan-3    CAI       0.020
 EOB      plan-3    CAK       0.020
 EOB      plan-3    CAT       0.020
 EOB      plan-3    HAL       0.020
 EOB      plan-3    HAJ       0.020
 EOB      plan-3    HAI       0.020
 EOB      plan-3    HAK       0.020
 EOB      plan-3    NAP       0.020
 EOB      plan-3    HAO       0.020
 EOB      plan-3    HAP       0.020
 EOB      plan-4    NAP       0.020
 EOB      plan-4    CAT       0.020
 EOB      plan-4    CAR       0.020
 EOB      plan-4    HAP       0.020
 EOB      plan-5    CAR       0.020
 EOB      plan-5    NAP       0.020
 EOB      plan-5    OAB       0.020
 EOB      plan-5    CAN       0.020
 EOB      plan-5    HAP       0.020
# ------------------------------------------------------
