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
EGB      EGB '(4S)-4-(3-HYDROXYPHENYL)-7,7-DIMETHY' non-polymer        39  21 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_EGB
#
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
 EGB           SAE    S    S1        0.000      0.000    0.000    0.000
 EGB           CAO    C    CR6       0.000     -1.701    0.040    0.192
 EGB           NAL    N    NR16      0.000     -2.483   -0.329   -0.832
 EGB           HAL    H    H         0.000     -2.043   -0.632   -1.724
 EGB           CAP    C    CR6       0.000     -3.848   -0.315   -0.729
 EGB           CAK    C    CH2       0.000     -4.658   -0.740   -1.931
 EGB           HAK1   H    H         0.000     -4.085   -1.462   -2.516
 EGB           HAK2   H    H         0.000     -4.877    0.134   -2.547
 EGB           CAU    C    CT        0.000     -5.968   -1.382   -1.466
 EGB           CAB    C    CH3       0.000     -5.665   -2.627   -0.632
 EGB           HAB3   H    H         0.000     -5.138   -3.330   -1.223
 EGB           HAB2   H    H         0.000     -5.075   -2.357    0.205
 EGB           HAB1   H    H         0.000     -6.573   -3.058   -0.298
 EGB           CAA    C    CH3       0.000     -6.811   -1.769   -2.683
 EGB           HAA3   H    H         0.000     -6.282   -2.475   -3.271
 EGB           HAA2   H    H         0.000     -7.725   -2.196   -2.360
 EGB           HAA1   H    H         0.000     -7.012   -0.907   -3.265
 EGB           CAJ    C    CH2       0.000     -6.731   -0.362   -0.614
 EGB           HAJ1   H    H         0.000     -7.641   -0.819   -0.221
 EGB           HAJ2   H    H         0.000     -6.994    0.504   -1.225
 EGB           CAN    C    C         0.000     -5.853    0.074    0.527
 EGB           OAC    O    O         0.000     -6.367    0.440    1.566
 EGB           CAQ    C    CR6       0.000     -4.451    0.068    0.415
 EGB           NAM    N    NR16      0.000     -2.216    0.439    1.362
 EGB           HAM    H    H         0.000     -1.565    0.715    2.124
 EGB           CAT    C    CH1       0.000     -3.647    0.501    1.613
 EGB           HAT    H    H         0.000     -3.889   -0.154    2.461
 EGB           CAS    C    CR6       0.000     -4.020    1.918    1.968
 EGB           CAI    C    CR16      0.000     -4.903    2.159    3.002
 EGB           HAI    H    H         0.000     -5.327    1.332    3.557
 EGB           CAH    C    CR16      0.000     -3.479    2.973    1.258
 EGB           HAH    H    H         0.000     -2.783    2.781    0.450
 EGB           CAF    C    CR16      0.000     -3.824    4.273    1.576
 EGB           HAF    H    H         0.000     -3.402    5.098    1.015
 EGB           CAG    C    CR16      0.000     -4.706    4.521    2.611
 EGB           HAG    H    H         0.000     -4.976    5.540    2.861
 EGB           CAR    C    CR6       0.000     -5.246    3.463    3.328
 EGB           OAD    O    OH1       0.000     -6.114    3.705    4.345
 EGB           HAD    H    H         0.000     -5.623    3.799    5.172
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
 EGB      SAE    n/a    CAO    START
 EGB      CAO    SAE    NAM    .
 EGB      NAL    CAO    CAP    .
 EGB      HAL    NAL    .      .
 EGB      CAP    NAL    CAQ    .
 EGB      CAK    CAP    CAU    .
 EGB      HAK1   CAK    .      .
 EGB      HAK2   CAK    .      .
 EGB      CAU    CAK    CAJ    .
 EGB      CAB    CAU    HAB1   .
 EGB      HAB3   CAB    .      .
 EGB      HAB2   CAB    .      .
 EGB      HAB1   CAB    .      .
 EGB      CAA    CAU    HAA1   .
 EGB      HAA3   CAA    .      .
 EGB      HAA2   CAA    .      .
 EGB      HAA1   CAA    .      .
 EGB      CAJ    CAU    CAN    .
 EGB      HAJ1   CAJ    .      .
 EGB      HAJ2   CAJ    .      .
 EGB      CAN    CAJ    OAC    .
 EGB      OAC    CAN    .      .
 EGB      CAQ    CAP    .      .
 EGB      NAM    CAO    CAT    .
 EGB      HAM    NAM    .      .
 EGB      CAT    NAM    CAS    .
 EGB      HAT    CAT    .      .
 EGB      CAS    CAT    CAH    .
 EGB      CAI    CAS    HAI    .
 EGB      HAI    CAI    .      .
 EGB      CAH    CAS    CAF    .
 EGB      HAH    CAH    .      .
 EGB      CAF    CAH    CAG    .
 EGB      HAF    CAF    .      .
 EGB      CAG    CAF    CAR    .
 EGB      HAG    CAG    .      .
 EGB      CAR    CAG    OAD    .
 EGB      OAD    CAR    HAD    .
 EGB      HAD    OAD    .      END
 EGB      CAR    CAI    .    ADD
 EGB      CAT    CAQ    .    ADD
 EGB      CAQ    CAN    .    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
 EGB      OAD    CAR       single      1.362    0.020
 EGB      CAR    CAI       single      1.390    0.020
 EGB      CAR    CAG       double      1.390    0.020
 EGB      CAI    CAS       double      1.390    0.020
 EGB      CAG    CAF       single      1.390    0.020
 EGB      CAF    CAH       double      1.390    0.020
 EGB      CAH    CAS       single      1.390    0.020
 EGB      CAS    CAT       single      1.480    0.020
 EGB      CAT    CAQ       single      1.480    0.020
 EGB      CAT    NAM       single      1.465    0.020
 EGB      CAQ    CAN       single      1.500    0.020
 EGB      CAQ    CAP       double      1.487    0.020
 EGB      OAC    CAN       double      1.220    0.020
 EGB      CAN    CAJ       single      1.510    0.020
 EGB      CAJ    CAU       single      1.524    0.020
 EGB      CAA    CAU       single      1.524    0.020
 EGB      CAB    CAU       single      1.524    0.020
 EGB      CAU    CAK       single      1.524    0.020
 EGB      CAK    CAP       single      1.511    0.020
 EGB      CAP    NAL       single      1.337    0.020
 EGB      NAL    CAO       single      1.337    0.020
 EGB      CAO    SAE       double      1.595    0.020
 EGB      NAM    CAO       single      1.337    0.020
 EGB      HAD    OAD       single      0.967    0.020
 EGB      HAI    CAI       single      1.083    0.020
 EGB      HAG    CAG       single      1.083    0.020
 EGB      HAF    CAF       single      1.083    0.020
 EGB      HAH    CAH       single      1.083    0.020
 EGB      HAT    CAT       single      1.099    0.020
 EGB      HAM    NAM       single      1.040    0.020
 EGB      HAJ1   CAJ       single      1.092    0.020
 EGB      HAJ2   CAJ       single      1.092    0.020
 EGB      HAA1   CAA       single      1.059    0.020
 EGB      HAA2   CAA       single      1.059    0.020
 EGB      HAA3   CAA       single      1.059    0.020
 EGB      HAB1   CAB       single      1.059    0.020
 EGB      HAB2   CAB       single      1.059    0.020
 EGB      HAB3   CAB       single      1.059    0.020
 EGB      HAK1   CAK       single      1.092    0.020
 EGB      HAK2   CAK       single      1.092    0.020
 EGB      HAL    NAL       single      1.040    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
 EGB      SAE    CAO    NAL     120.000    3.000
 EGB      SAE    CAO    NAM     120.000    3.000
 EGB      NAL    CAO    NAM     120.000    3.000
 EGB      CAO    NAL    HAL     120.000    3.000
 EGB      CAO    NAL    CAP     120.000    3.000
 EGB      HAL    NAL    CAP     120.000    3.000
 EGB      NAL    CAP    CAK     120.000    3.000
 EGB      NAL    CAP    CAQ     120.000    3.000
 EGB      CAK    CAP    CAQ     120.000    3.000
 EGB      CAP    CAK    HAK1    109.470    3.000
 EGB      CAP    CAK    HAK2    109.470    3.000
 EGB      CAP    CAK    CAU     109.470    3.000
 EGB      HAK1   CAK    HAK2    107.900    3.000
 EGB      HAK1   CAK    CAU     109.470    3.000
 EGB      HAK2   CAK    CAU     109.470    3.000
 EGB      CAK    CAU    CAB     111.000    3.000
 EGB      CAK    CAU    CAA     111.000    3.000
 EGB      CAK    CAU    CAJ     111.000    3.000
 EGB      CAB    CAU    CAA     111.000    3.000
 EGB      CAB    CAU    CAJ     111.000    3.000
 EGB      CAA    CAU    CAJ     111.000    3.000
 EGB      CAU    CAB    HAB3    109.470    3.000
 EGB      CAU    CAB    HAB2    109.470    3.000
 EGB      CAU    CAB    HAB1    109.470    3.000
 EGB      HAB3   CAB    HAB2    109.470    3.000
 EGB      HAB3   CAB    HAB1    109.470    3.000
 EGB      HAB2   CAB    HAB1    109.470    3.000
 EGB      CAU    CAA    HAA3    109.470    3.000
 EGB      CAU    CAA    HAA2    109.470    3.000
 EGB      CAU    CAA    HAA1    109.470    3.000
 EGB      HAA3   CAA    HAA2    109.470    3.000
 EGB      HAA3   CAA    HAA1    109.470    3.000
 EGB      HAA2   CAA    HAA1    109.470    3.000
 EGB      CAU    CAJ    HAJ1    109.470    3.000
 EGB      CAU    CAJ    HAJ2    109.470    3.000
 EGB      CAU    CAJ    CAN     109.470    3.000
 EGB      HAJ1   CAJ    HAJ2    107.900    3.000
 EGB      HAJ1   CAJ    CAN     109.470    3.000
 EGB      HAJ2   CAJ    CAN     109.470    3.000
 EGB      CAJ    CAN    OAC     120.500    3.000
 EGB      CAJ    CAN    CAQ     120.000    3.000
 EGB      OAC    CAN    CAQ     120.500    3.000
 EGB      CAP    CAQ    CAT     120.000    3.000
 EGB      CAP    CAQ    CAN     120.000    3.000
 EGB      CAT    CAQ    CAN     120.000    3.000
 EGB      CAO    NAM    HAM     120.000    3.000
 EGB      CAO    NAM    CAT     120.000    3.000
 EGB      HAM    NAM    CAT     120.000    3.000
 EGB      NAM    CAT    HAT     109.500    3.000
 EGB      NAM    CAT    CAS     109.500    3.000
 EGB      NAM    CAT    CAQ     109.500    3.000
 EGB      HAT    CAT    CAS     109.470    3.000
 EGB      HAT    CAT    CAQ     109.470    3.000
 EGB      CAS    CAT    CAQ     109.500    3.000
 EGB      CAT    CAS    CAI     120.000    3.000
 EGB      CAT    CAS    CAH     120.000    3.000
 EGB      CAI    CAS    CAH     120.000    3.000
 EGB      CAS    CAI    HAI     120.000    3.000
 EGB      CAS    CAI    CAR     120.000    3.000
 EGB      HAI    CAI    CAR     120.000    3.000
 EGB      CAS    CAH    HAH     120.000    3.000
 EGB      CAS    CAH    CAF     120.000    3.000
 EGB      HAH    CAH    CAF     120.000    3.000
 EGB      CAH    CAF    HAF     120.000    3.000
 EGB      CAH    CAF    CAG     120.000    3.000
 EGB      HAF    CAF    CAG     120.000    3.000
 EGB      CAF    CAG    HAG     120.000    3.000
 EGB      CAF    CAG    CAR     120.000    3.000
 EGB      HAG    CAG    CAR     120.000    3.000
 EGB      CAG    CAR    OAD     120.000    3.000
 EGB      CAG    CAR    CAI     120.000    3.000
 EGB      OAD    CAR    CAI     120.000    3.000
 EGB      CAR    OAD    HAD     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
 EGB      CONST_1  SAE    CAO    NAL    CAP      180.000    0.000   0
 EGB      CONST_2  CAO    NAL    CAP    CAQ        0.000    0.000   0
 EGB      var_1    NAL    CAP    CAK    CAU      150.000   20.000   2
 EGB      var_2    CAP    CAK    CAU    CAJ       60.000   20.000   1
 EGB      var_3    CAK    CAU    CAB    HAB1     178.999   20.000   1
 EGB      var_4    CAK    CAU    CAA    HAA1     -58.922   20.000   1
 EGB      var_5    CAK    CAU    CAJ    CAN      -60.000   20.000   1
 EGB      var_6    CAU    CAJ    CAN    OAC     -150.000   20.000   3
 EGB      CONST_3  NAL    CAP    CAQ    CAT        0.000    0.000   0
 EGB      var_7    CAP    CAQ    CAN    CAJ        0.000   20.000   1
 EGB      CONST_4  SAE    CAO    NAM    CAT      180.000    0.000   0
 EGB      CONST_5  CAO    NAM    CAT    CAS     -120.000    0.000   0
 EGB      CONST_6  NAM    CAT    CAQ    CAP        0.000    0.000   0
 EGB      var_8    NAM    CAT    CAS    CAH       42.569   20.000   1
 EGB      CONST_7  CAT    CAS    CAI    CAR      180.000    0.000   0
 EGB      CONST_8  CAT    CAS    CAH    CAF      180.000    0.000   0
 EGB      CONST_9  CAS    CAH    CAF    CAG        0.000    0.000   0
 EGB      CONST_10 CAH    CAF    CAG    CAR        0.000    0.000   0
 EGB      CONST_11 CAF    CAG    CAR    OAD      180.000    0.000   0
 EGB      CONST_12 CAG    CAR    CAI    CAS        0.000    0.000   0
 EGB      var_9    CAG    CAR    OAD    HAD      -90.276   20.000   1
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
 EGB      chir_01  CAT    CAS    CAQ    NAM       negativ
 EGB      chir_02  CAU    CAJ    CAA    CAB       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
 EGB      plan-1    CAR       0.020
 EGB      plan-1    OAD       0.020
 EGB      plan-1    CAI       0.020
 EGB      plan-1    CAG       0.020
 EGB      plan-1    CAF       0.020
 EGB      plan-1    CAH       0.020
 EGB      plan-1    CAS       0.020
 EGB      plan-1    HAI       0.020
 EGB      plan-1    HAG       0.020
 EGB      plan-1    HAF       0.020
 EGB      plan-1    HAH       0.020
 EGB      plan-1    CAT       0.020
 EGB      plan-2    CAQ       0.020
 EGB      plan-2    CAT       0.020
 EGB      plan-2    CAN       0.020
 EGB      plan-2    CAP       0.020
 EGB      plan-2    NAL       0.020
 EGB      plan-2    CAO       0.020
 EGB      plan-2    NAM       0.020
 EGB      plan-2    CAK       0.020
 EGB      plan-2    HAL       0.020
 EGB      plan-2    SAE       0.020
 EGB      plan-2    HAM       0.020
 EGB      plan-3    CAN       0.020
 EGB      plan-3    CAQ       0.020
 EGB      plan-3    OAC       0.020
 EGB      plan-3    CAJ       0.020
# ------------------------------------------------------
