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
FCD      FCD '5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC' non-polymer        21  15 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_FCD
#
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
 FCD           CL2    CL   CL        0.000      0.000    0.000    0.000
 FCD           C6     C    CR6       0.000     -1.386   -0.293   -0.991
 FCD           C5     C    CR16      0.000     -2.639    0.054   -0.484
 FCD           H5     H    H         0.000     -2.721    0.492    0.503
 FCD           C4     C    CR16      0.000     -3.785   -0.163   -1.248
 FCD           H4     H    H         0.000     -4.758    0.106   -0.855
 FCD           C3     C    CR16      0.000     -3.680   -0.727   -2.519
 FCD           H3     H    H         0.000     -4.570   -0.895   -3.112
 FCD           C2     C    CR16      0.000     -2.428   -1.074   -3.027
 FCD           H2     H    H         0.000     -2.346   -1.511   -4.014
 FCD           C1     C    CR6       0.000     -1.281   -0.856   -2.263
 FCD           CD     C    CR5       0.000     -0.003   -1.230   -2.828
 FCD           OA     O    O2        0.000      0.614   -0.257   -3.539
 FCD           CG     C    CR15      0.000      0.741   -2.378   -2.805
 FCD           HG     H    H         0.000      0.490   -3.310   -2.313
 FCD           CB     C    CR15      0.000      1.907   -2.096   -3.555
 FCD           HB     H    H         0.000      2.731   -2.770   -3.754
 FCD           CA     C    CR5       0.000      1.782   -0.794   -3.981
 FCD           C      C    C         0.000      2.639    0.028   -4.767
 FCD           OB     O    OC       -0.500      3.690   -0.545   -5.130
 FCD           OXT    O    OC       -0.500      2.430    1.215   -5.102
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
 FCD      CL2    n/a    C6     START
 FCD      C6     CL2    C1     .
 FCD      C5     C6     C4     .
 FCD      H5     C5     .      .
 FCD      C4     C5     C3     .
 FCD      H4     C4     .      .
 FCD      C3     C4     C2     .
 FCD      H3     C3     .      .
 FCD      C2     C3     H2     .
 FCD      H2     C2     .      .
 FCD      C1     C6     CD     .
 FCD      CD     C1     CG     .
 FCD      OA     CD     .      .
 FCD      CG     CD     CB     .
 FCD      HG     CG     .      .
 FCD      CB     CG     CA     .
 FCD      HB     CB     .      .
 FCD      CA     CB     C      .
 FCD      C      CA     OXT    .
 FCD      OB     C      .      .
 FCD      OXT    C      .      END
 FCD      OA     CA     .    ADD
 FCD      C1     C2     .    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
 FCD      OA     CA        single      1.370    0.020
 FCD      OA     CD        single      1.370    0.020
 FCD      C      CA        single      1.490    0.020
 FCD      CA     CB        double      1.387    0.020
 FCD      OB     C         deloc       1.250    0.020
 FCD      OXT    C         deloc       1.250    0.020
 FCD      CB     CG        single      1.380    0.020
 FCD      HB     CB        single      1.083    0.020
 FCD      CG     CD        double      1.387    0.020
 FCD      HG     CG        single      1.083    0.020
 FCD      CD     C1        single      1.490    0.020
 FCD      C1     C2        double      1.390    0.020
 FCD      C1     C6        single      1.487    0.020
 FCD      C2     C3        single      1.390    0.020
 FCD      H2     C2        single      1.083    0.020
 FCD      C3     C4        double      1.390    0.020
 FCD      H3     C3        single      1.083    0.020
 FCD      C4     C5        single      1.390    0.020
 FCD      H4     C4        single      1.083    0.020
 FCD      C5     C6        double      1.390    0.020
 FCD      H5     C5        single      1.083    0.020
 FCD      C6     CL2       single      1.795    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
 FCD      CL2    C6     C5      120.000    3.000
 FCD      CL2    C6     C1      120.000    3.000
 FCD      C5     C6     C1      120.000    3.000
 FCD      C6     C5     H5      120.000    3.000
 FCD      C6     C5     C4      120.000    3.000
 FCD      H5     C5     C4      120.000    3.000
 FCD      C5     C4     H4      120.000    3.000
 FCD      C5     C4     C3      120.000    3.000
 FCD      H4     C4     C3      120.000    3.000
 FCD      C4     C3     H3      120.000    3.000
 FCD      C4     C3     C2      120.000    3.000
 FCD      H3     C3     C2      120.000    3.000
 FCD      C3     C2     H2      120.000    3.000
 FCD      C3     C2     C1      120.000    3.000
 FCD      H2     C2     C1      120.000    3.000
 FCD      C6     C1     CD      120.000    3.000
 FCD      C6     C1     C2      120.000    3.000
 FCD      CD     C1     C2      120.000    3.000
 FCD      C1     CD     OA      126.000    3.000
 FCD      C1     CD     CG      126.000    3.000
 FCD      OA     CD     CG      108.000    3.000
 FCD      CD     OA     CA      108.000    3.000
 FCD      CD     CG     HG      126.000    3.000
 FCD      CD     CG     CB      108.000    3.000
 FCD      HG     CG     CB      126.000    3.000
 FCD      CG     CB     HB      126.000    3.000
 FCD      CG     CB     CA      108.000    3.000
 FCD      HB     CB     CA      126.000    3.000
 FCD      CB     CA     C       126.000    3.000
 FCD      CB     CA     OA      108.000    3.000
 FCD      C      CA     OA      108.000    3.000
 FCD      CA     C      OB      120.000    3.000
 FCD      CA     C      OXT     120.000    3.000
 FCD      OB     C      OXT     123.000    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
 FCD      CONST_1  CL2    C6     C5     C4       180.000    0.000   0
 FCD      CONST_2  C6     C5     C4     C3         0.000    0.000   0
 FCD      CONST_3  C5     C4     C3     C2         0.000    0.000   0
 FCD      CONST_4  C4     C3     C2     C1         0.000    0.000   0
 FCD      CONST_5  CL2    C6     C1     CD         0.000    0.000   0
 FCD      CONST_6  C6     C1     C2     C3         0.000    0.000   0
 FCD      var_1    C6     C1     CD     CG        89.994   20.000   1
 FCD      CONST_7  C1     CD     OA     CA       180.000    0.000   0
 FCD      CONST_8  CD     OA     CA     CB         0.000    0.000   0
 FCD      CONST_9  C1     CD     CG     CB       180.000    0.000   0
 FCD      CONST_10 CD     CG     CB     CA         0.000    0.000   0
 FCD      CONST_11 CG     CB     CA     C        180.000    0.000   0
 FCD      var_2    CB     CA     C      OXT     -179.977   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
 FCD      plan-1    CA        0.020
 FCD      plan-1    OA        0.020
 FCD      plan-1    C         0.020
 FCD      plan-1    CB        0.020
 FCD      plan-1    CG        0.020
 FCD      plan-1    CD        0.020
 FCD      plan-1    HB        0.020
 FCD      plan-1    HG        0.020
 FCD      plan-1    C1        0.020
 FCD      plan-2    C         0.020
 FCD      plan-2    CA        0.020
 FCD      plan-2    OB        0.020
 FCD      plan-2    OXT       0.020
 FCD      plan-3    C1        0.020
 FCD      plan-3    CD        0.020
 FCD      plan-3    C2        0.020
 FCD      plan-3    C6        0.020
 FCD      plan-3    C3        0.020
 FCD      plan-3    C4        0.020
 FCD      plan-3    C5        0.020
 FCD      plan-3    H2        0.020
 FCD      plan-3    H3        0.020
 FCD      plan-3    H4        0.020
 FCD      plan-3    H5        0.020
 FCD      plan-3    CL2       0.020
# ------------------------------------------------------
