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
VNL      VNL '4-HYDROXY-3-METHOXYBENZOATE         ' non-polymer        19  12 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_VNL
#
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
 VNL           O2     O    OC       -0.500      0.000    0.000    0.000
 VNL           CC     C    C         0.000     -0.982   -0.776   -0.005
 VNL           O1     O    OC       -0.500     -0.800   -2.013   -0.012
 VNL           C1     C    CR6       0.000     -2.349   -0.232   -0.003
 VNL           CO2    C    CR16      0.000     -2.553    1.152    0.005
 VNL           HO2    H    H         0.000     -1.705    1.826    0.011
 VNL           CM2    C    CR6       0.000     -3.838    1.657    0.006
 VNL           OM     O    O2        0.000     -4.042    3.002    0.013
 VNL           CV     C    CH3       0.000     -2.750    3.615    0.018
 VNL           HV3    H    H         0.000     -2.215    3.321   -0.848
 VNL           HV2    H    H         0.000     -2.858    4.668    0.025
 VNL           HV1    H    H         0.000     -2.217    3.309    0.881
 VNL           CZ     C    CR6       0.000     -4.929    0.788    0.005
 VNL           O3     O    OH1       0.000     -6.192    1.286    0.008
 VNL           HO3    H    H         0.000     -6.492    1.395    0.920
 VNL           CM1    C    CR16      0.000     -4.727   -0.586   -0.007
 VNL           HM1    H    H         0.000     -5.577   -1.257   -0.015
 VNL           CO1    C    CR16      0.000     -3.448   -1.097   -0.009
 VNL           HO1    H    H         0.000     -3.294   -2.169   -0.015
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
 VNL      O2     n/a    CC     START
 VNL      CC     O2     C1     .
 VNL      O1     CC     .      .
 VNL      C1     CC     CO2    .
 VNL      CO2    C1     CM2    .
 VNL      HO2    CO2    .      .
 VNL      CM2    CO2    CZ     .
 VNL      OM     CM2    CV     .
 VNL      CV     OM     HV1    .
 VNL      HV3    CV     .      .
 VNL      HV2    CV     .      .
 VNL      HV1    CV     .      .
 VNL      CZ     CM2    CM1    .
 VNL      O3     CZ     HO3    .
 VNL      HO3    O3     .      .
 VNL      CM1    CZ     CO1    .
 VNL      HM1    CM1    .      .
 VNL      CO1    CM1    HO1    .
 VNL      HO1    CO1    .      END
 VNL      C1     CO1    .    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
 VNL      C1     CO1       double      1.390    0.020
 VNL      CO2    C1        single      1.390    0.020
 VNL      C1     CC        single      1.500    0.020
 VNL      CO1    CM1       single      1.390    0.020
 VNL      HO1    CO1       single      1.083    0.020
 VNL      CM2    CO2       double      1.390    0.020
 VNL      HO2    CO2       single      1.083    0.020
 VNL      CM1    CZ        double      1.390    0.020
 VNL      HM1    CM1       single      1.083    0.020
 VNL      OM     CM2       single      1.370    0.020
 VNL      CZ     CM2       single      1.487    0.020
 VNL      CV     OM        single      1.426    0.020
 VNL      O3     CZ        single      1.362    0.020
 VNL      O1     CC        deloc       1.250    0.020
 VNL      CC     O2        deloc       1.250    0.020
 VNL      HV1    CV        single      1.059    0.020
 VNL      HV2    CV        single      1.059    0.020
 VNL      HV3    CV        single      1.059    0.020
 VNL      HO3    O3        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
 VNL      O2     CC     O1      123.000    3.000
 VNL      O2     CC     C1      120.000    3.000
 VNL      O1     CC     C1      120.000    3.000
 VNL      CC     C1     CO2     120.000    3.000
 VNL      CC     C1     CO1     120.000    3.000
 VNL      CO2    C1     CO1     120.000    3.000
 VNL      C1     CO2    HO2     120.000    3.000
 VNL      C1     CO2    CM2     120.000    3.000
 VNL      HO2    CO2    CM2     120.000    3.000
 VNL      CO2    CM2    OM      120.000    3.000
 VNL      CO2    CM2    CZ      120.000    3.000
 VNL      OM     CM2    CZ      120.000    3.000
 VNL      CM2    OM     CV      120.000    3.000
 VNL      OM     CV     HV3     109.470    3.000
 VNL      OM     CV     HV2     109.470    3.000
 VNL      OM     CV     HV1     109.470    3.000
 VNL      HV3    CV     HV2     109.470    3.000
 VNL      HV3    CV     HV1     109.470    3.000
 VNL      HV2    CV     HV1     109.470    3.000
 VNL      CM2    CZ     O3      120.000    3.000
 VNL      CM2    CZ     CM1     120.000    3.000
 VNL      O3     CZ     CM1     120.000    3.000
 VNL      CZ     O3     HO3     109.470    3.000
 VNL      CZ     CM1    HM1     120.000    3.000
 VNL      CZ     CM1    CO1     120.000    3.000
 VNL      HM1    CM1    CO1     120.000    3.000
 VNL      CM1    CO1    HO1     120.000    3.000
 VNL      CM1    CO1    C1      120.000    3.000
 VNL      HO1    CO1    C1      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
 VNL      var_1    O2     CC     C1     CO2       -0.072   20.000   1
 VNL      CONST_1  CC     C1     CO1    CM1      180.000    0.000   0
 VNL      CONST_2  CC     C1     CO2    CM2      180.000    0.000   0
 VNL      CONST_3  C1     CO2    CM2    CZ         0.000    0.000   0
 VNL      var_2    CO2    CM2    OM     CV         0.013   20.000   1
 VNL      var_3    CM2    OM     CV     HV1      -59.935   20.000   1
 VNL      CONST_4  CO2    CM2    CZ     CM1        0.000    0.000   0
 VNL      var_4    CM2    CZ     O3     HO3      -90.466   20.000   1
 VNL      CONST_5  CM2    CZ     CM1    CO1        0.000    0.000   0
 VNL      CONST_6  CZ     CM1    CO1    C1         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
 VNL      plan-1    C1        0.020
 VNL      plan-1    CO1       0.020
 VNL      plan-1    CO2       0.020
 VNL      plan-1    CC        0.020
 VNL      plan-1    CM1       0.020
 VNL      plan-1    CM2       0.020
 VNL      plan-1    CZ        0.020
 VNL      plan-1    HO1       0.020
 VNL      plan-1    HO2       0.020
 VNL      plan-1    HM1       0.020
 VNL      plan-1    OM        0.020
 VNL      plan-1    O3        0.020
 VNL      plan-2    CC        0.020
 VNL      plan-2    C1        0.020
 VNL      plan-2    O1        0.020
 VNL      plan-2    O2        0.020
# ------------------------------------------------------
