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
ZIN      ZIN '7-(pyridin-2-ylmethyl)quinolin-8-ol ' non-polymer        30  18 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ZIN
#
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
 ZIN           OAM    O    OH1       0.000      0.000    0.000    0.000
 ZIN           HOAM   H    H         0.000      0.514    0.463    0.676
 ZIN           CAB    C    CR6       0.000     -1.310    0.340    0.116
 ZIN           CAD    C    CR66      0.000     -2.167   -0.413    0.946
 ZIN           CAJ    C    CR66      0.000     -3.529   -0.037    1.050
 ZIN           CAW    C    CR16      0.000     -4.383   -0.789    1.878
 ZIN           HAW    H    H         0.000     -5.430   -0.529    1.980
 ZIN           CAY    C    CR16      0.000     -3.856   -1.855    2.549
 ZIN           HAY    H    H         0.000     -4.486   -2.455    3.194
 ZIN           CAT    C    CR16      0.000     -2.507   -2.171    2.402
 ZIN           HAT    H    H         0.000     -2.102   -3.019    2.940
 ZIN           NAG    N    NRD6      0.000     -1.714   -1.467    1.630
 ZIN           CAK    C    CR16      0.000     -4.003    1.066    0.322
 ZIN           HAK    H    H         0.000     -5.045    1.354    0.386
 ZIN           CAF    C    CR16      0.000     -3.145    1.774   -0.467
 ZIN           HAF    H    H         0.000     -3.512    2.628   -1.022
 ZIN           CAA    C    CR6       0.000     -1.805    1.413   -0.570
 ZIN           CAC    C    CH2       0.000     -0.887    2.215   -1.454
 ZIN           HAC    H    H         0.000      0.108    2.254   -1.006
 ZIN           HACA   H    H         0.000     -1.277    3.229   -1.559
 ZIN           CAH    C    CR6       0.000     -0.803    1.564   -2.811
 ZIN           CAV    C    CR16      0.000     -1.103    2.300   -3.942
 ZIN           HAV    H    H         0.000     -1.397    3.339   -3.858
 ZIN           CBA    C    CR16      0.000     -1.024    1.692   -5.185
 ZIN           HBA    H    H         0.000     -1.255    2.244   -6.088
 ZIN           CAZ    C    CR16      0.000     -0.642    0.361   -5.245
 ZIN           HAZ    H    H         0.000     -0.564   -0.145   -6.200
 ZIN           CAU    C    CR16      0.000     -0.362   -0.314   -4.071
 ZIN           HAU    H    H         0.000     -0.068   -1.355   -4.108
 ZIN           NAI    N    NRD6      0.000     -0.449    0.298   -2.906
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
 ZIN      OAM    n/a    CAB    START
 ZIN      HOAM   OAM    .      .
 ZIN      CAB    OAM    CAD    .
 ZIN      CAD    CAB    CAJ    .
 ZIN      CAJ    CAD    CAK    .
 ZIN      CAW    CAJ    CAY    .
 ZIN      HAW    CAW    .      .
 ZIN      CAY    CAW    CAT    .
 ZIN      HAY    CAY    .      .
 ZIN      CAT    CAY    NAG    .
 ZIN      HAT    CAT    .      .
 ZIN      NAG    CAT    .      .
 ZIN      CAK    CAJ    CAF    .
 ZIN      HAK    CAK    .      .
 ZIN      CAF    CAK    CAA    .
 ZIN      HAF    CAF    .      .
 ZIN      CAA    CAF    CAC    .
 ZIN      CAC    CAA    CAH    .
 ZIN      HAC    CAC    .      .
 ZIN      HACA   CAC    .      .
 ZIN      CAH    CAC    CAV    .
 ZIN      CAV    CAH    CBA    .
 ZIN      HAV    CAV    .      .
 ZIN      CBA    CAV    CAZ    .
 ZIN      HBA    CBA    .      .
 ZIN      CAZ    CBA    CAU    .
 ZIN      HAZ    CAZ    .      .
 ZIN      CAU    CAZ    NAI    .
 ZIN      HAU    CAU    .      .
 ZIN      NAI    CAU    .      END
 ZIN      CAA    CAB    .    ADD
 ZIN      CAD    NAG    .    ADD
 ZIN      CAH    NAI    .    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
 ZIN      CAC    CAA       single      1.511    0.020
 ZIN      CAA    CAF       double      1.390    0.020
 ZIN      CAA    CAB       single      1.487    0.020
 ZIN      CAB    OAM       single      1.362    0.020
 ZIN      CAD    CAB       double      1.490    0.020
 ZIN      CAH    CAC       single      1.511    0.020
 ZIN      HAC    CAC       single      1.092    0.020
 ZIN      HACA   CAC       single      1.092    0.020
 ZIN      CAJ    CAD       single      1.490    0.020
 ZIN      CAD    NAG       single      1.350    0.020
 ZIN      CAF    CAK       single      1.390    0.020
 ZIN      HAF    CAF       single      1.083    0.020
 ZIN      NAG    CAT       double      1.337    0.020
 ZIN      CAH    NAI       double      1.350    0.020
 ZIN      CAV    CAH       single      1.390    0.020
 ZIN      NAI    CAU       single      1.337    0.020
 ZIN      CAK    CAJ       double      1.390    0.020
 ZIN      CAW    CAJ       single      1.390    0.020
 ZIN      HAK    CAK       single      1.083    0.020
 ZIN      HOAM   OAM       single      0.967    0.020
 ZIN      CAT    CAY       single      1.390    0.020
 ZIN      HAT    CAT       single      1.083    0.020
 ZIN      CAU    CAZ       double      1.390    0.020
 ZIN      HAU    CAU       single      1.083    0.020
 ZIN      CBA    CAV       double      1.390    0.020
 ZIN      HAV    CAV       single      1.083    0.020
 ZIN      CAY    CAW       double      1.390    0.020
 ZIN      HAW    CAW       single      1.083    0.020
 ZIN      HAY    CAY       single      1.083    0.020
 ZIN      CAZ    CBA       single      1.390    0.020
 ZIN      HAZ    CAZ       single      1.083    0.020
 ZIN      HBA    CBA       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
 ZIN      HOAM   OAM    CAB     109.470    3.000
 ZIN      OAM    CAB    CAD     120.000    3.000
 ZIN      OAM    CAB    CAA     120.000    3.000
 ZIN      CAD    CAB    CAA     120.000    3.000
 ZIN      CAB    CAD    CAJ     120.000    3.000
 ZIN      CAB    CAD    NAG     120.000    3.000
 ZIN      CAJ    CAD    NAG     120.000    3.000
 ZIN      CAD    CAJ    CAW     120.000    3.000
 ZIN      CAD    CAJ    CAK     120.000    3.000
 ZIN      CAW    CAJ    CAK     120.000    3.000
 ZIN      CAJ    CAW    HAW     120.000    3.000
 ZIN      CAJ    CAW    CAY     120.000    3.000
 ZIN      HAW    CAW    CAY     120.000    3.000
 ZIN      CAW    CAY    HAY     120.000    3.000
 ZIN      CAW    CAY    CAT     120.000    3.000
 ZIN      HAY    CAY    CAT     120.000    3.000
 ZIN      CAY    CAT    HAT     120.000    3.000
 ZIN      CAY    CAT    NAG     120.000    3.000
 ZIN      HAT    CAT    NAG     120.000    3.000
 ZIN      CAT    NAG    CAD     120.000    3.000
 ZIN      CAJ    CAK    HAK     120.000    3.000
 ZIN      CAJ    CAK    CAF     120.000    3.000
 ZIN      HAK    CAK    CAF     120.000    3.000
 ZIN      CAK    CAF    HAF     120.000    3.000
 ZIN      CAK    CAF    CAA     120.000    3.000
 ZIN      HAF    CAF    CAA     120.000    3.000
 ZIN      CAF    CAA    CAC     120.000    3.000
 ZIN      CAF    CAA    CAB     120.000    3.000
 ZIN      CAC    CAA    CAB     120.000    3.000
 ZIN      CAA    CAC    HAC     109.470    3.000
 ZIN      CAA    CAC    HACA    109.470    3.000
 ZIN      CAA    CAC    CAH     109.470    3.000
 ZIN      HAC    CAC    HACA    107.900    3.000
 ZIN      HAC    CAC    CAH     109.470    3.000
 ZIN      HACA   CAC    CAH     109.470    3.000
 ZIN      CAC    CAH    CAV     120.000    3.000
 ZIN      CAC    CAH    NAI     120.000    3.000
 ZIN      CAV    CAH    NAI     120.000    3.000
 ZIN      CAH    CAV    HAV     120.000    3.000
 ZIN      CAH    CAV    CBA     120.000    3.000
 ZIN      HAV    CAV    CBA     120.000    3.000
 ZIN      CAV    CBA    HBA     120.000    3.000
 ZIN      CAV    CBA    CAZ     120.000    3.000
 ZIN      HBA    CBA    CAZ     120.000    3.000
 ZIN      CBA    CAZ    HAZ     120.000    3.000
 ZIN      CBA    CAZ    CAU     120.000    3.000
 ZIN      HAZ    CAZ    CAU     120.000    3.000
 ZIN      CAZ    CAU    HAU     120.000    3.000
 ZIN      CAZ    CAU    NAI     120.000    3.000
 ZIN      HAU    CAU    NAI     120.000    3.000
 ZIN      CAU    NAI    CAH     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
 ZIN      var_1    HOAM   OAM    CAB    CAD      -90.013   20.000   1
 ZIN      CONST_1  OAM    CAB    CAD    CAJ      180.000    0.000   0
 ZIN      CONST_2  CAB    CAD    NAG    CAT      180.000    0.000   0
 ZIN      CONST_3  CAB    CAD    CAJ    CAK        0.000    0.000   0
 ZIN      CONST_4  CAD    CAJ    CAW    CAY        0.000    0.000   0
 ZIN      CONST_5  CAJ    CAW    CAY    CAT        0.000    0.000   0
 ZIN      CONST_6  CAW    CAY    CAT    NAG        0.000    0.000   0
 ZIN      CONST_7  CAY    CAT    NAG    CAD        0.000    0.000   0
 ZIN      CONST_8  CAD    CAJ    CAK    CAF        0.000    0.000   0
 ZIN      CONST_9  CAJ    CAK    CAF    CAA        0.000    0.000   0
 ZIN      CONST_10 CAK    CAF    CAA    CAC      180.000    0.000   0
 ZIN      CONST_11 CAF    CAA    CAB    OAM      180.000    0.000   0
 ZIN      var_2    CAF    CAA    CAC    CAH      -94.743   20.000   2
 ZIN      var_3    CAA    CAC    CAH    CAV      124.694   20.000   2
 ZIN      CONST_12 CAC    CAH    NAI    CAU      180.000    0.000   0
 ZIN      CONST_13 CAC    CAH    CAV    CBA      180.000    0.000   0
 ZIN      CONST_14 CAH    CAV    CBA    CAZ        0.000    0.000   0
 ZIN      CONST_15 CAV    CBA    CAZ    CAU        0.000    0.000   0
 ZIN      CONST_16 CBA    CAZ    CAU    NAI        0.000    0.000   0
 ZIN      CONST_17 CAZ    CAU    NAI    CAH        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
 ZIN      plan-1    CAA       0.020
 ZIN      plan-1    CAB       0.020
 ZIN      plan-1    CAC       0.020
 ZIN      plan-1    CAF       0.020
 ZIN      plan-1    CAK       0.020
 ZIN      plan-1    CAD       0.020
 ZIN      plan-1    OAM       0.020
 ZIN      plan-1    NAG       0.020
 ZIN      plan-1    CAJ       0.020
 ZIN      plan-1    CAT       0.020
 ZIN      plan-1    CAW       0.020
 ZIN      plan-1    CAY       0.020
 ZIN      plan-1    HAF       0.020
 ZIN      plan-1    HAK       0.020
 ZIN      plan-1    HAT       0.020
 ZIN      plan-1    HAW       0.020
 ZIN      plan-1    HAY       0.020
 ZIN      plan-2    CAH       0.020
 ZIN      plan-2    CAC       0.020
 ZIN      plan-2    NAI       0.020
 ZIN      plan-2    CAV       0.020
 ZIN      plan-2    CAU       0.020
 ZIN      plan-2    CAZ       0.020
 ZIN      plan-2    CBA       0.020
 ZIN      plan-2    HAU       0.020
 ZIN      plan-2    HAV       0.020
 ZIN      plan-2    HAZ       0.020
 ZIN      plan-2    HBA       0.020
# ------------------------------------------------------
