# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Mon Jul  6 02:33:28 2020
#   Inital geometry file: a 144 line input string
#   Ligand name: (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
#
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
_chem_comp.initial_date
_chem_comp.modified_date
_chem_comp.source
 W1Z  W1Z  '(2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosakis(fluoranyl)dodecanoylamino]propanoic acid'  ligand  61  51  .  2021-08-24  2021-08-24  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_W1Z
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 W1Z  FBS  F  F      0  -0.288    9.0446  -0.4925   2.1134
 W1Z  CBR  C  CT     0   0.977    9.1715  -0.2542   0.8147
 W1Z  FBT  F  F      0  -0.289   10.2319   0.5198   0.6282
 W1Z  FBU  F  F      0  -0.285    9.3731  -1.3997   0.1817
 W1Z  CBQ  C  CT     0   0.529    7.9186   0.4753   0.2591
 W1Z  FBV  F  F      0  -0.310    7.9061   1.7106   0.7779
 W1Z  FBW  F  F      0  -0.313    8.0664   0.5658  -1.0718
 W1Z  CAZ  C  CT     0   0.593    6.5614  -0.2104   0.5930
 W1Z  FBX  F  F      0  -0.307    6.6776  -1.5314   0.3924
 W1Z  FBY  F  F      0  -0.308    6.3118  -0.0002   1.8932
 W1Z  CAY  C  CT     0   0.622    5.3646   0.3025  -0.2749
 W1Z  FBO  F  F      0  -0.312    5.4544   1.6338  -0.4121
 W1Z  FBP  F  F      0  -0.307    5.4818  -0.2626  -1.4826
 W1Z  CAX  C  CT     0   0.617    3.9620  -0.0207   0.3335
 W1Z  FBA  F  F      0  -0.314    3.9332  -1.3162   0.6839
 W1Z  FBB  F  F      0  -0.310    3.8191   0.7373   1.4292
 W1Z  CAW  C  CT     0   0.623    2.7497   0.2643  -0.6076
 W1Z  FBC  F  F      0  -0.314    2.7176   1.5843  -0.8453
 W1Z  FBD  F  F      0  -0.308    2.9255  -0.3828  -1.7666
 W1Z  CAV  C  CT     0   0.620    1.3673  -0.1920  -0.0296
 W1Z  FBE  F  F      0  -0.312    1.2951  -1.5257  -0.1535
 W1Z  FBF  F  F      0  -0.308    1.2869   0.1211   1.2700
 W1Z  CAU  C  CT     0   0.614    0.1453   0.4603  -0.7540
 W1Z  FBG  F  F      0  -0.311    0.0340   1.7211  -0.3106
 W1Z  FBH  F  F      0  -0.312    0.3755   0.4863  -2.0747
 W1Z  CAT  C  CT     0   0.617   -1.2034  -0.2912  -0.5150
 W1Z  FBI  F  F      0  -0.312   -1.1998  -1.3933  -1.2800
 W1Z  FBJ  F  F      0  -0.314   -1.2753  -0.6628   0.7725
 W1Z  CAS  C  CT     0   0.606   -2.4668   0.5586  -0.8467
 W1Z  FBK  F  F      0  -0.309   -2.6474   1.4416   0.1488
 W1Z  FBL  F  F      0  -0.314   -2.2498   1.2369  -1.9858
 W1Z  CAR  C  CT     0   0.629   -3.7860  -0.2385  -1.0065
 W1Z  FBM  F  F      0  -0.316   -3.7409  -0.9419  -2.1496
 W1Z  FBN  F  F      0  -0.322   -3.8827  -1.1155   0.0173
 W1Z  CAP  C  C      0   0.422   -5.0047   0.7118  -1.0678
 W1Z  OAQ  O  O      0  -0.470   -5.2068   1.2991  -2.1147
 W1Z  N    N  NH1    0  -0.596   -5.7311   0.7732   0.0363
 W1Z  CA   C  CH1    0  -0.210   -6.8451   1.6800   0.2048
 W1Z  C    C  C      0   0.421   -6.3935   3.0407   0.8106
 W1Z  OXT  O  OC     0  -0.608   -7.3234   3.8160   1.1045
 W1Z  O    O  O     -1  -0.578   -5.1741   3.2361   0.9221
 W1Z  CB   C  CH2    0  -0.575   -7.9464   1.0035   1.0288
 W1Z  CG   C  CR5    0   0.038   -8.4891  -0.2340   0.3915
 W1Z  CD2  C  CR56   0   0.032   -8.0082  -1.5773   0.5319
 W1Z  CE3  C  CR16   0  -0.380   -6.9878  -2.1710   1.2843
 W1Z  CZ3  C  CR16   0  -0.267   -6.7898  -3.5343   1.1937
 W1Z  CH2  C  CR16   0  -0.289   -7.5932  -4.3279   0.3570
 W1Z  CZ2  C  CR16   0  -0.306   -8.6108  -3.7737  -0.3954
 W1Z  CE2  C  CR56   0   0.350   -8.8085  -2.3968  -0.2965
 W1Z  NE1  N  NR15   0  -0.686   -9.7232  -1.5889  -0.9038
 W1Z  CD1  C  CR15   0  -0.083   -9.5336  -0.3005  -0.4875
 W1Z  H1   H  HNH1   0   0.405   -5.3926   0.3151   0.8680
 W1Z  H2   H  HCH1   0   0.261   -7.2523   1.8822  -0.7892
 W1Z  H4   H  HCH2   0   0.242   -7.5645   0.7783   2.0308
 W1Z  H5   H  HCH2   0   0.260   -8.7427   1.7347   1.1633
 W1Z  H6   H  HCR6   0   0.232   -6.3678  -1.5724   1.9408
 W1Z  H7   H  HCR6   0   0.243   -6.0029  -4.0033   1.7704
 W1Z  H8   H  HCR6   0   0.247   -7.4115  -5.3936   0.3022
 W1Z  H9   H  HCR6   0   0.257   -9.2301  -4.3863  -1.0386
 W1Z  H10  H  HNR5   0   0.406  -10.4457  -1.8902  -1.5355
 W1Z  H11  H  HCR5   0   0.278  -10.1690   0.4915  -0.8534

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
_chem_comp_bond.value_dist_neutron
 W1Z  FBW  CBQ  single    1.342  0.020  1.342
 W1Z  FBP  CAY  single    1.338  0.020  1.338
 W1Z  FBS  CBR  single    1.326  0.020  1.326
 W1Z  FBA  CAX  single    1.342  0.020  1.342
 W1Z  CBQ  FBV  single    1.340  0.020  1.340
 W1Z  CBQ  CBR  single    1.553  0.020  1.553
 W1Z  CBQ  CAZ  single    1.557  0.020  1.557
 W1Z  FBU  CBR  single    1.324  0.020  1.324
 W1Z  FBB  CAX  single    1.340  0.020  1.340
 W1Z  FBX  CAZ  single    1.341  0.020  1.341
 W1Z  CAY  CAX  single    1.563  0.020  1.563
 W1Z  CAY  CAZ  single    1.565  0.020  1.565
 W1Z  CAY  FBO  single    1.341  0.020  1.341
 W1Z  CBR  FBT  single    1.326  0.020  1.326
 W1Z  CAX  CAW  single    1.561  0.020  1.561
 W1Z  CAZ  FBY  single    1.341  0.020  1.341
 W1Z  FBF  CAV  single    1.339  0.020  1.339
 W1Z  CAW  FBC  single    1.342  0.020  1.342
 W1Z  CAW  CAV  single    1.566  0.020  1.566
 W1Z  CAW  FBD  single    1.339  0.020  1.339
 W1Z  CAV  FBE  single    1.341  0.020  1.341
 W1Z  CAV  CAU  single    1.563  0.020  1.563
 W1Z  FBG  CAU  single    1.341  0.020  1.341
 W1Z  FBJ  CAT  single    1.342  0.020  1.342
 W1Z  CAU  CAT  single    1.562  0.020  1.562
 W1Z  CAU  FBH  single    1.341  0.020  1.341
 W1Z  CAT  FBI  single    1.342  0.020  1.342
 W1Z  CAT  CAS  single    1.558  0.020  1.558
 W1Z  FBL  CAS  single    1.343  0.020  1.343
 W1Z  CAS  FBK  single    1.343  0.020  1.343
 W1Z  CAS  CAR  single    1.550  0.020  1.550
 W1Z  FBN  CAR  single    1.352  0.020  1.352
 W1Z  CAR  FBM  single    1.343  0.020  1.343
 W1Z  CAR  CAP  single    1.547  0.020  1.547
 W1Z  OAQ  CAP  double    1.217  0.020  1.217
 W1Z  CAP  N    single    1.323  0.020  1.323
 W1Z  N    CA   single    1.446  0.020  1.446
 W1Z  CA   C    single    1.556  0.020  1.556
 W1Z  CA   CB   single    1.533  0.020  1.533
 W1Z  O    C    deloc     1.240  0.020  1.240
 W1Z  C    OXT  deloc     1.246  0.020  1.246
 W1Z  CB   CG   single    1.494  0.020  1.494
 W1Z  CD1  CG   aromatic  1.367  0.020  1.367
 W1Z  CD1  NE1  aromatic  1.367  0.020  1.367
 W1Z  CG   CD2  aromatic  1.434  0.020  1.434
 W1Z  NE1  CE2  aromatic  1.363  0.020  1.363
 W1Z  CD2  CE3  aromatic  1.400  0.020  1.400
 W1Z  CD2  CE2  aromatic  1.414  0.020  1.414
 W1Z  CE3  CZ3  aromatic  1.381  0.020  1.381
 W1Z  CE2  CZ2  aromatic  1.395  0.020  1.395
 W1Z  CZ2  CH2  aromatic  1.382  0.020  1.382
 W1Z  CZ3  CH2  aromatic  1.405  0.020  1.405
 W1Z  N    H1   single    0.860  0.020  1.020
 W1Z  CA   H2   single    0.970  0.020  1.090
 W1Z  CB   H4   single    0.970  0.020  1.090
 W1Z  CB   H5   single    0.970  0.020  1.090
 W1Z  CE3  H6   single    0.930  0.020  1.080
 W1Z  CZ3  H7   single    0.930  0.020  1.080
 W1Z  CH2  H8   single    0.930  0.020  1.080
 W1Z  CZ2  H9   single    0.930  0.020  1.080
 W1Z  NE1  H10  single    0.860  0.020  1.020
 W1Z  CD1  H11  single    0.930  0.020  1.080

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
 W1Z  CBQ  CBR  FBU  110.99  3.000
 W1Z  FBU  CBR  FBT  108.42  3.000
 W1Z  CBQ  CBR  FBT  108.71  3.000
 W1Z  FBT  CBR  FBS  108.61  3.000
 W1Z  FBU  CBR  FBS  109.10  3.000
 W1Z  CBQ  CBR  FBS  110.95  3.000
 W1Z  CAZ  CBQ  FBW  109.78  3.000
 W1Z  CAZ  CBQ  FBV  108.35  3.000
 W1Z  FBW  CBQ  FBV  108.83  3.000
 W1Z  CAZ  CBQ  CBR  114.82  3.000
 W1Z  FBV  CBQ  CBR  107.59  3.000
 W1Z  FBW  CBQ  CBR  107.32  3.000
 W1Z  CAY  CAZ  FBY  110.13  3.000
 W1Z  FBY  CAZ  FBX  108.40  3.000
 W1Z  CAY  CAZ  FBX  107.83  3.000
 W1Z  FBY  CAZ  CBQ  107.54  3.000
 W1Z  CAY  CAZ  CBQ  113.79  3.000
 W1Z  FBX  CAZ  CBQ  109.04  3.000
 W1Z  CAX  CAY  FBP  110.03  3.000
 W1Z  CAX  CAY  FBO  107.77  3.000
 W1Z  FBP  CAY  FBO  108.71  3.000
 W1Z  FBO  CAY  CAZ  109.32  3.000
 W1Z  CAX  CAY  CAZ  113.75  3.000
 W1Z  FBP  CAY  CAZ  107.17  3.000
 W1Z  CAW  CAX  FBB  107.88  3.000
 W1Z  CAW  CAX  FBA  108.48  3.000
 W1Z  FBB  CAX  FBA  109.28  3.000
 W1Z  CAW  CAX  CAY  115.12  3.000
 W1Z  FBB  CAX  CAY  107.28  3.000
 W1Z  FBA  CAX  CAY  108.69  3.000
 W1Z  CAV  CAW  FBD  107.12  3.000
 W1Z  FBD  CAW  FBC  108.99  3.000
 W1Z  CAV  CAW  FBC  109.32  3.000
 W1Z  FBD  CAW  CAX  109.37  3.000
 W1Z  CAV  CAW  CAX  114.19  3.000
 W1Z  FBC  CAW  CAX  107.76  3.000
 W1Z  CAU  CAV  FBF  107.77  3.000
 W1Z  CAU  CAV  FBE  109.27  3.000
 W1Z  FBF  CAV  FBE  108.59  3.000
 W1Z  CAU  CAV  CAW  113.41  3.000
 W1Z  FBE  CAV  CAW  107.64  3.000
 W1Z  FBF  CAV  CAW  110.06  3.000
 W1Z  CAT  CAU  FBH  107.95  3.000
 W1Z  FBH  CAU  FBG  108.76  3.000
 W1Z  CAT  CAU  FBG  109.28  3.000
 W1Z  FBH  CAU  CAV  109.28  3.000
 W1Z  CAT  CAU  CAV  113.78  3.000
 W1Z  FBG  CAU  CAV  107.70  3.000
 W1Z  CAS  CAT  FBJ  108.17  3.000
 W1Z  CAS  CAT  FBI  109.19  3.000
 W1Z  FBJ  CAT  FBI  108.65  3.000
 W1Z  CAS  CAT  CAU  113.89  3.000
 W1Z  FBI  CAT  CAU  107.80  3.000
 W1Z  FBJ  CAT  CAU  109.04  3.000
 W1Z  CAR  CAS  FBL  108.05  3.000
 W1Z  CAR  CAS  FBK  107.47  3.000
 W1Z  FBL  CAS  FBK  108.56  3.000
 W1Z  CAR  CAS  CAT  115.58  3.000
 W1Z  FBK  CAS  CAT  108.05  3.000
 W1Z  FBL  CAS  CAT  108.96  3.000
 W1Z  CAP  CAR  FBN  111.86  3.000
 W1Z  CAP  CAR  FBM  108.34  3.000
 W1Z  FBN  CAR  FBM  107.90  3.000
 W1Z  CAP  CAR  CAS  111.03  3.000
 W1Z  FBM  CAR  CAS  109.18  3.000
 W1Z  FBN  CAR  CAS  108.45  3.000
 W1Z  N    CAP  OAQ  127.17  3.000
 W1Z  N    CAP  CAR  115.35  3.000
 W1Z  OAQ  CAP  CAR  117.48  3.000
 W1Z  H1   N    CA   116.58  3.000
 W1Z  H1   N    CAP  118.89  3.000
 W1Z  CA   N    CAP  123.31  3.000
 W1Z  H2   CA   CB   107.63  3.000
 W1Z  H2   CA   C    107.48  3.000
 W1Z  CB   CA   C    112.65  3.000
 W1Z  H2   CA   N    107.28  3.000
 W1Z  CB   CA   N    109.83  3.000
 W1Z  C    CA   N    111.72  3.000
 W1Z  O    C    OXT  127.93  3.000
 W1Z  OXT  C    CA   114.79  3.000
 W1Z  O    C    CA   117.27  3.000
 W1Z  H5   CB   H4   106.25  3.000
 W1Z  H5   CB   CG   110.07  3.000
 W1Z  H4   CB   CG   110.27  3.000
 W1Z  H5   CB   CA   107.18  3.000
 W1Z  H4   CB   CA   109.38  3.000
 W1Z  CG   CB   CA   113.41  3.000
 W1Z  CD1  CG   CD2  105.88  3.000
 W1Z  CD2  CG   CB   127.77  3.000
 W1Z  CD1  CG   CB   126.32  3.000
 W1Z  CE2  CD2  CE3  118.80  3.000
 W1Z  CE2  CD2  CG   107.21  3.000
 W1Z  CE3  CD2  CG   133.98  3.000
 W1Z  H6   CE3  CZ3  120.22  3.000
 W1Z  H6   CE3  CD2  120.57  3.000
 W1Z  CZ3  CE3  CD2  119.21  3.000
 W1Z  H7   CZ3  CH2  119.22  3.000
 W1Z  H7   CZ3  CE3  119.81  3.000
 W1Z  CH2  CZ3  CE3  120.97  3.000
 W1Z  H8   CH2  CZ2  119.41  3.000
 W1Z  H8   CH2  CZ3  119.34  3.000
 W1Z  CZ2  CH2  CZ3  121.25  3.000
 W1Z  H9   CZ2  CE2  121.30  3.000
 W1Z  H9   CZ2  CH2  121.19  3.000
 W1Z  CE2  CZ2  CH2  117.50  3.000
 W1Z  NE1  CE2  CZ2  130.45  3.000
 W1Z  CZ2  CE2  CD2  122.26  3.000
 W1Z  NE1  CE2  CD2  107.30  3.000
 W1Z  H10  NE1  CD1  124.96  3.000
 W1Z  H10  NE1  CE2  125.74  3.000
 W1Z  CD1  NE1  CE2  109.26  3.000
 W1Z  H11  CD1  NE1  120.45  3.000
 W1Z  H11  CD1  CG   129.21  3.000
 W1Z  NE1  CD1  CG   110.34  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
 W1Z  CONST_01  CE2  NE1  CD1  CG      0.00   0.0  0
 W1Z  CONST_02  CZ3  CE3  CD2  CG    180.00   0.0  0
 W1Z  CONST_03  NE1  CE2  CD2  CG      0.00   0.0  0
 W1Z  CONST_04  CZ2  CE2  CD2  CG    180.00   0.0  0
 W1Z  CONST_05  NE1  CD1  CG   CD2     0.00   0.0  0
 W1Z  CONST_06  CH2  CZ3  CE3  CD2     0.00   0.0  0
 W1Z  CONST_07  CD1  NE1  CE2  CD2     0.00   0.0  0
 W1Z  CONST_08  CH2  CZ2  CE2  CD2     0.00   0.0  0
 W1Z  CONST_09  CD1  CG   CD2  CE3   180.00   0.0  0
 W1Z  CONST_10  NE1  CE2  CD2  CE3   180.00   0.0  0
 W1Z  CONST_11  CZ2  CE2  CD2  CE3     0.00   0.0  0
 W1Z  CONST_12  CZ2  CH2  CZ3  CE3     0.00   0.0  0
 W1Z  CONST_13  CE2  CD2  CE3  CZ3     0.00   0.0  0
 W1Z  CONST_14  CE2  CZ2  CH2  CZ3     0.00   0.0  0
 W1Z  CONST_15  NE1  CE2  CZ2  CH2   180.00   0.0  0
 W1Z  CONST_16  CD1  NE1  CE2  CZ2   180.00   0.0  0
 W1Z  CONST_17  CD1  CG   CD2  CE2     0.00   0.0  0
 W1Z  CONST_18  NE1  CD1  CG   CB    180.00   0.0  0
 W1Z  CONST_19  CE3  CD2  CG   CB      0.00   0.0  0
 W1Z  CONST_20  CE2  CD2  CG   CB    180.00   0.0  0
 W1Z  CONST_21  H10  NE1  CD1  CG    180.00   0.0  0
 W1Z  CONST_22  H6   CE3  CD2  CG      0.00   0.0  0
 W1Z  CONST_23  H11  CD1  CG   CD2   180.00   0.0  0
 W1Z  CONST_24  H7   CZ3  CE3  CD2   180.00   0.0  0
 W1Z  CONST_25  H9   CZ2  CE2  CD2   180.00   0.0  0
 W1Z  CONST_26  H8   CH2  CZ3  CE3   180.00   0.0  0
 W1Z  CONST_27  CA   N    CAP  CAR   180.00   0.0  0
 W1Z  CONST_28  CA   N    CAP  OAQ     0.00   0.0  0
 W1Z  CONST_29  H1   N    CAP  CAR     0.00   0.0  0
 W1Z  Var_01    CD1  CG   CB   CA    -89.19  30.0  2
 W1Z  Var_02    FBW  CBQ  CBR  FBS  -174.26  30.0  3
 W1Z  Var_03    FBX  CAZ  CBQ  CBR   -44.10  30.0  3
 W1Z  Var_04    FBP  CAY  CAZ  CBQ    76.57  30.0  1
 W1Z  Var_05    FBA  CAX  CAY  CAZ   -48.57  30.0  3
 W1Z  Var_06    FBC  CAW  CAX  CAY   -63.82  30.0  3
 W1Z  Var_07    FBF  CAV  CAW  CAX    42.05  30.0  3
 W1Z  Var_08    FBG  CAU  CAV  CAW   -76.81  30.0  3
 W1Z  Var_09    FBJ  CAT  CAU  CAV    41.31  30.0  3
 W1Z  Var_10    FBL  CAS  CAT  CAU    41.90  30.0  3
 W1Z  Var_11    FBN  CAR  CAS  CAT    46.06  30.0  3
 W1Z  Var_12    OAQ  CAP  CAR  CAS    77.19  30.0  3

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
 W1Z  chir_01  CA  N  C  CB  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
 W1Z  plan-1  CB   0.020
 W1Z  plan-1  CG   0.020
 W1Z  plan-1  CD2  0.020
 W1Z  plan-1  CE3  0.020
 W1Z  plan-1  CZ3  0.020
 W1Z  plan-1  CH2  0.020
 W1Z  plan-1  CZ2  0.020
 W1Z  plan-1  CE2  0.020
 W1Z  plan-1  NE1  0.020
 W1Z  plan-1  CD1  0.020
 W1Z  plan-1  H6   0.020
 W1Z  plan-1  H7   0.020
 W1Z  plan-1  H8   0.020
 W1Z  plan-1  H9   0.020
 W1Z  plan-1  H10  0.020
 W1Z  plan-1  H11  0.020
 W1Z  plan-2  CAR  0.020
 W1Z  plan-2  CAP  0.020
 W1Z  plan-2  OAQ  0.020
 W1Z  plan-2  N    0.020
 W1Z  plan-2  CA   0.020
 W1Z  plan-2  H1   0.020
 W1Z  plan-3  CA   0.020
 W1Z  plan-3  C    0.020
 W1Z  plan-3  OXT  0.020
 W1Z  plan-3  O    0.020

