# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Mar 22 21:46:40 2022
#   Inital geometry file: a 163 line input string
#   Ligand name: 4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1cc2sc(cc2cc1OCCOc3c(F)c4cc(sc4cc3OC)C(=O)CCC(O)=O)C(=O)CCC(O)=O
#
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
 QBG  QBG  '4-[5-(2-{[2-(3-carboxypropanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy}ethoxy)-6-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid'  ligand  64  41  .  2022-03-23  2022-03-23
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_QBG
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
 QBG  O7   O  OC    -1  -0.615   8.1001   4.0499  36.9662
 QBG  C26  C  C      0   0.422   9.1405   4.6884  36.7176
 QBG  O8   O  O      0  -0.594   9.3670   5.8882  36.9814
 QBG  C25  C  CH2    0  -0.585  10.2726   3.9060  36.0231
 QBG  C24  C  CH2    0  -0.560  11.4146   4.7945  35.5610
 QBG  C23  C  C      0   0.422  12.0953   5.5013  36.7033
 QBG  O6   O  O      0  -0.429  12.4022   4.9143  37.7265
 QBG  C21  C  CR5    0  -0.282  12.4818   6.9043  36.5437
 QBG  C22  C  CR15   0  -0.263  12.1757   7.7941  35.5600
 QBG  C16  C  CR5    0   0.242  12.6907   9.0962  35.8114
 QBG  C15  C  C1     0  -0.430  12.5264  10.2636  35.0457
 QBG  S1   S  S2     0   0.210  13.4248   7.6231  37.8192
 QBG  C17  C  CR5    0  -0.237  13.3918   9.1549  37.0197
 QBG  C18  C  C1     0  -0.427  13.9413  10.3490  37.4849
 QBG  C19  C  C      0   0.316  13.7489  11.4923  36.7404
 QBG  O5   O  O2     0  -0.458  14.1836  12.7087  37.1068
 QBG  C20  C  CH3    0  -0.446  14.9276  12.8185  38.3029
 QBG  C14  C  C      0   0.336  13.0240  11.4547  35.5107
 QBG  O4   O  O2     0  -0.484  12.8914  12.6581  34.9170
 QBG  C13  C  CH2    0  -0.251  12.0038  12.8822  33.8333
 QBG  C12  C  CH2    0  -0.192  11.0503  14.0166  34.1492
 QBG  O3   O  O2     0  -0.488   9.8797  13.6699  34.8937
 QBG  C1   C  CR6    0   0.097   9.9630  12.6625  35.7946
 QBG  C2   C  CR6    0   0.528  10.5667  12.8265  37.0151
 QBG  F    F  F      0  -0.295  11.0954  14.0138  37.3239
 QBG  C3   C  CR56   0  -0.013  10.6690  11.7800  37.9328
 QBG  C7   C  CR15   0  -0.223  11.3155  11.7367  39.1995
 QBG  C6   C  CR5    0  -0.282  11.2257  10.5119  39.7821
 QBG  C8   C  C      0   0.426  11.7482  10.0326  41.0659
 QBG  C9   C  CH2    0  -0.569  12.5218  10.9886  41.9333
 QBG  C10  C  CH2    0  -0.588  13.6023  10.2955  42.7427
 QBG  C11  C  C      0   0.435  14.6623   9.5954  41.8713
 QBG  O2   O  O      0  -0.585  14.4859   9.6320  40.6336
 QBG  O1   O  OC    -1  -0.609  15.6028   9.0475  42.4745
 QBG  O    O  O      0  -0.420  11.4801   8.8997  41.4203
 QBG  S    S  S2     0   0.256  10.3348   9.3709  38.8157
 QBG  C4   C  CR56   0  -0.204  10.0903  10.5508  37.5805
 QBG  C5   C  CR16   0  -0.431   9.4314  10.3525  36.3710
 QBG  C    C  CR6    0   0.333   9.3831  11.4059  35.4742
 QBG  O9   O  O2     0  -0.454   8.8199  11.3469  34.2623
 QBG  C27  C  CH3    0  -0.443   8.2475  10.1218  33.8451
 QBG  H2   H  HCH2   0   0.235   9.8669   3.3608  35.1666
 QBG  H3   H  HCH2   0   0.231  10.6421   3.1373  36.7081
 QBG  H4   H  HCH2   0   0.260  12.1867   4.1907  35.0696
 QBG  H5   H  HCH2   0   0.244  11.0620   5.5003  34.8105
 QBG  H6   H  HCR5   0   0.268  11.5825   7.5499  34.6896
 QBG  H7   H  H      0   0.277  11.9882  10.1977  34.1100
 QBG  H8   H  H      0   0.313  14.4458  10.3708  38.4408
 QBG  H9   H  HCH3   0   0.260  15.1864  13.8690  38.4094
 QBG  H10  H  HCH3   0   0.230  14.3505  12.5063  39.1776
 QBG  H11  H  HCH3   0   0.229  15.8476  12.2287  38.2649
 QBG  H12  H  HCH2   0   0.263  12.6033  13.1858  32.9712
 QBG  H13  H  HCH2   0   0.252  11.4519  11.9906  33.5331
 QBG  H14  H  HCH2   0   0.235  11.5950  14.8199  34.6544
 QBG  H15  H  HCH2   0   0.251  10.6798  14.4167  33.2045
 QBG  H16  H  HCR5   0   0.277  11.8283  12.5781  39.6431
 QBG  H17  H  HCH2   0   0.251  12.9508  11.7902  41.3326
 QBG  H18  H  HCH2   0   0.266  11.7932  11.4659  42.5997
 QBG  H19  H  HCH2   0   0.232  13.1599   9.5614  43.4212
 QBG  H20  H  HCH2   0   0.240  14.0946  11.0281  43.3887
 QBG  H22  H  HCR6   0   0.292   9.0083   9.3852  36.1371
 QBG  H23  H  HCH3   0   0.265   7.8634  10.2891  32.8423
 QBG  H24  H  HCH3   0   0.234   8.9880   9.3183  33.8114
 QBG  H25  H  HCH3   0   0.234   7.4223   9.8175  34.4937

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
 QBG  C13  O4   single    1.419  0.020  1.419
 QBG  C13  C12  single    1.515  0.020  1.515
 QBG  C27  O9   single    1.415  0.020  1.415
 QBG  O4   C14  single    1.348  0.020  1.348
 QBG  O9   C    single    1.338  0.020  1.338
 QBG  C15  C14  aromatic  1.372  0.020  1.372
 QBG  C15  C16  aromatic  1.406  0.020  1.406
 QBG  C14  C19  aromatic  1.428  0.020  1.428
 QBG  C12  O3   single    1.430  0.020  1.430
 QBG  O3   C1   single    1.354  0.020  1.354
 QBG  C22  C16  aromatic  1.423  0.020  1.423
 QBG  C22  C21  aromatic  1.361  0.020  1.361
 QBG  C16  C17  aromatic  1.398  0.020  1.398
 QBG  C    C1   aromatic  1.421  0.020  1.421
 QBG  C    C5   aromatic  1.384  0.020  1.384
 QBG  C24  C25  single    1.519  0.020  1.519
 QBG  C24  C23  single    1.506  0.020  1.506
 QBG  O8   C26  deloc     1.249  0.020  1.249
 QBG  C19  O5   single    1.343  0.020  1.343
 QBG  C19  C18  aromatic  1.378  0.020  1.378
 QBG  C1   C2   aromatic  1.371  0.020  1.371
 QBG  O5   C20  single    1.413  0.020  1.413
 QBG  C25  C26  single    1.541  0.020  1.541
 QBG  C5   C4   aromatic  1.392  0.020  1.392
 QBG  C21  C23  single    1.464  0.020  1.464
 QBG  C21  S1   aromatic  1.741  0.020  1.741
 QBG  C17  C18  aromatic  1.394  0.020  1.394
 QBG  C17  S1   aromatic  1.728  0.020  1.728
 QBG  C26  O7   deloc     1.246  0.020  1.246
 QBG  C23  O6   double    1.219  0.020  1.219
 QBG  C2   F    single    1.336  0.020  1.336
 QBG  C2   C3   aromatic  1.396  0.020  1.396
 QBG  C4   C3   aromatic  1.404  0.020  1.404
 QBG  C4   S    aromatic  1.726  0.020  1.726
 QBG  C3   C7   aromatic  1.423  0.020  1.423
 QBG  S    C6   aromatic  1.741  0.020  1.741
 QBG  C7   C6   aromatic  1.359  0.020  1.359
 QBG  C6   C8   single    1.467  0.020  1.467
 QBG  O2   C11  deloc     1.251  0.020  1.251
 QBG  C8   O    double    1.217  0.020  1.217
 QBG  C8   C9   single    1.505  0.020  1.505
 QBG  O1   C11  deloc     1.244  0.020  1.244
 QBG  C11  C10  single    1.540  0.020  1.540
 QBG  C9   C10  single    1.518  0.020  1.518
 QBG  C25  H2   single    0.970  0.020  1.090
 QBG  C25  H3   single    0.970  0.020  1.090
 QBG  C24  H4   single    0.970  0.020  1.090
 QBG  C24  H5   single    0.970  0.020  1.090
 QBG  C22  H6   single    0.930  0.020  1.080
 QBG  C15  H7   single    0.930  0.020  1.080
 QBG  C18  H8   single    0.930  0.020  1.080
 QBG  C20  H9   single    0.970  0.020  1.090
 QBG  C20  H10  single    0.970  0.020  1.090
 QBG  C20  H11  single    0.970  0.020  1.090
 QBG  C13  H12  single    0.970  0.020  1.090
 QBG  C13  H13  single    0.970  0.020  1.090
 QBG  C12  H14  single    0.970  0.020  1.090
 QBG  C12  H15  single    0.970  0.020  1.090
 QBG  C7   H16  single    0.930  0.020  1.080
 QBG  C9   H17  single    0.970  0.020  1.090
 QBG  C9   H18  single    0.970  0.020  1.090
 QBG  C10  H19  single    0.970  0.020  1.090
 QBG  C10  H20  single    0.970  0.020  1.090
 QBG  C5   H22  single    0.930  0.020  1.080
 QBG  C27  H23  single    0.970  0.020  1.090
 QBG  C27  H24  single    0.970  0.020  1.090
 QBG  C27  H25  single    0.970  0.020  1.090

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
 QBG  C25  C26  O8   116.71  3.000
 QBG  C25  C26  O7   116.30  3.000
 QBG  O8   C26  O7   126.98  3.000
 QBG  H3   C25  H2   105.40  3.000
 QBG  H3   C25  C24  110.34  3.000
 QBG  H2   C25  C24  109.41  3.000
 QBG  H3   C25  C26  108.82  3.000
 QBG  H2   C25  C26  109.48  3.000
 QBG  C24  C25  C26  113.10  3.000
 QBG  H5   C24  H4   106.03  3.000
 QBG  H5   C24  C23  111.41  3.000
 QBG  H4   C24  C23  106.27  3.000
 QBG  H5   C24  C25  110.20  3.000
 QBG  H4   C24  C25  110.10  3.000
 QBG  C23  C24  C25  112.56  3.000
 QBG  C21  C23  O6   119.11  3.000
 QBG  O6   C23  C24  121.64  3.000
 QBG  C21  C23  C24  119.11  3.000
 QBG  S1   C21  C22  112.41  3.000
 QBG  S1   C21  C23  117.30  3.000
 QBG  C22  C21  C23  130.23  3.000
 QBG  H6   C22  C16  123.20  3.000
 QBG  H6   C22  C21  123.88  3.000
 QBG  C16  C22  C21  112.90  3.000
 QBG  C17  C16  C15  119.63  3.000
 QBG  C17  C16  C22  111.88  3.000
 QBG  C15  C16  C22  128.43  3.000
 QBG  H7   C15  C14  121.78  3.000
 QBG  H7   C15  C16  118.61  3.000
 QBG  C14  C15  C16  119.60  3.000
 QBG  C17  S1   C21   90.96  3.000
 QBG  C18  C17  S1   126.67  3.000
 QBG  S1   C17  C16  111.85  3.000
 QBG  C18  C17  C16  121.46  3.000
 QBG  H8   C18  C19  121.75  3.000
 QBG  H8   C18  C17  119.74  3.000
 QBG  C19  C18  C17  118.38  3.000
 QBG  C14  C19  O5   115.04  3.000
 QBG  O5   C19  C18  123.99  3.000
 QBG  C14  C19  C18  120.95  3.000
 QBG  C20  O5   C19  118.16  3.000
 QBG  H11  C20  H10  108.53  3.000
 QBG  H11  C20  H9   108.93  3.000
 QBG  H10  C20  H9   108.86  3.000
 QBG  H11  C20  O5   111.82  3.000
 QBG  H10  C20  O5   112.15  3.000
 QBG  H9   C20  O5   106.47  3.000
 QBG  O4   C14  C19  113.93  3.000
 QBG  C19  C14  C15  119.92  3.000
 QBG  O4   C14  C15  126.15  3.000
 QBG  C13  O4   C14  122.61  3.000
 QBG  H13  C13  H12  106.70  3.000
 QBG  H13  C13  C12  110.54  3.000
 QBG  H12  C13  C12  107.56  3.000
 QBG  H13  C13  O4   113.44  3.000
 QBG  H12  C13  O4   107.65  3.000
 QBG  C12  C13  O4   110.66  3.000
 QBG  H15  C12  H14  107.44  3.000
 QBG  H15  C12  O3   105.18  3.000
 QBG  H14  C12  O3   110.19  3.000
 QBG  H15  C12  C13  107.92  3.000
 QBG  H14  C12  C13  109.42  3.000
 QBG  O3   C12  C13  116.24  3.000
 QBG  C1   O3   C12  118.46  3.000
 QBG  C    C1   C2   119.09  3.000
 QBG  C2   C1   O3   122.02  3.000
 QBG  C    C1   O3   118.88  3.000
 QBG  C3   C2   F    119.04  3.000
 QBG  C3   C2   C1   121.86  3.000
 QBG  F    C2   C1   119.09  3.000
 QBG  C4   C3   C7   112.59  3.000
 QBG  C7   C3   C2   129.90  3.000
 QBG  C4   C3   C2   117.48  3.000
 QBG  H16  C7   C6   123.85  3.000
 QBG  H16  C7   C3   123.88  3.000
 QBG  C6   C7   C3   112.27  3.000
 QBG  S    C6   C8   117.01  3.000
 QBG  C8   C6   C7   130.25  3.000
 QBG  S    C6   C7   112.74  3.000
 QBG  O    C8   C9   122.46  3.000
 QBG  C9   C8   C6   118.69  3.000
 QBG  O    C8   C6   118.74  3.000
 QBG  H18  C9   H17  106.04  3.000
 QBG  H18  C9   C10  110.34  3.000
 QBG  H17  C9   C10  110.46  3.000
 QBG  H18  C9   C8   106.57  3.000
 QBG  H17  C9   C8   110.61  3.000
 QBG  C10  C9   C8   112.54  3.000
 QBG  H20  C10  H19  105.39  3.000
 QBG  H20  C10  C11  109.19  3.000
 QBG  H19  C10  C11  108.92  3.000
 QBG  H20  C10  C9   109.25  3.000
 QBG  H19  C10  C9   110.46  3.000
 QBG  C11  C10  C9   113.32  3.000
 QBG  O1   C11  O2   126.81  3.000
 QBG  O1   C11  C10  116.49  3.000
 QBG  O2   C11  C10  116.71  3.000
 QBG  C4   S    C6    91.24  3.000
 QBG  C5   C4   S    126.28  3.000
 QBG  S    C4   C3   111.15  3.000
 QBG  C5   C4   C3   122.56  3.000
 QBG  H22  C5   C    121.80  3.000
 QBG  H22  C5   C4   120.05  3.000
 QBG  C    C5   C4   118.11  3.000
 QBG  O9   C    C5   124.62  3.000
 QBG  C5   C    C1   120.85  3.000
 QBG  O9   C    C1   114.53  3.000
 QBG  C27  O9   C    118.39  3.000
 QBG  H25  C27  H24  108.97  3.000
 QBG  H25  C27  H23  108.88  3.000
 QBG  H24  C27  H23  108.91  3.000
 QBG  H25  C27  O9   111.81  3.000
 QBG  H24  C27  O9   111.81  3.000
 QBG  H23  C27  O9   106.36  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
 QBG  CONST_01  C15  C16  C22  C21   180.00   0.0  0
 QBG  CONST_02  C17  C16  C22  C21     0.00   0.0  0
 QBG  CONST_03  C16  C17  S1   C21     0.00   0.0  0
 QBG  CONST_04  C18  C17  S1   C21   180.00   0.0  0
 QBG  CONST_05  C14  C15  C16  C22   180.00   0.0  0
 QBG  CONST_06  C18  C17  C16  C22   180.00   0.0  0
 QBG  CONST_07  S1   C17  C16  C22     0.00   0.0  0
 QBG  CONST_08  C17  S1   C21  C22     0.00   0.0  0
 QBG  CONST_09  C19  C14  C15  C16     0.00   0.0  0
 QBG  CONST_10  S1   C21  C22  C16     0.00   0.0  0
 QBG  CONST_11  C19  C18  C17  C16     0.00   0.0  0
 QBG  CONST_12  C18  C19  C14  C15     0.00   0.0  0
 QBG  CONST_13  C18  C17  C16  C15     0.00   0.0  0
 QBG  CONST_14  S1   C17  C16  C15   180.00   0.0  0
 QBG  CONST_15  C19  C18  C17  S1    180.00   0.0  0
 QBG  CONST_16  C14  C15  C16  C17     0.00   0.0  0
 QBG  CONST_17  C14  C19  C18  C17     0.00   0.0  0
 QBG  CONST_18  C4   C5   C    C1      0.00   0.0  0
 QBG  CONST_19  C4   C3   C2   C1      0.00   0.0  0
 QBG  CONST_20  C7   C3   C2   C1    180.00   0.0  0
 QBG  CONST_21  C5   C    C1   C2      0.00   0.0  0
 QBG  CONST_22  C5   C4   C3   C2      0.00   0.0  0
 QBG  CONST_23  S    C4   C3   C2    180.00   0.0  0
 QBG  CONST_24  C6   C7   C3   C2    180.00   0.0  0
 QBG  CONST_25  C    C1   C2   C3      0.00   0.0  0
 QBG  CONST_26  C    C5   C4   C3      0.00   0.0  0
 QBG  CONST_27  C6   S    C4   C3      0.00   0.0  0
 QBG  CONST_28  S    C6   C7   C3      0.00   0.0  0
 QBG  CONST_29  C5   C4   C3   C7    180.00   0.0  0
 QBG  CONST_30  S    C4   C3   C7      0.00   0.0  0
 QBG  CONST_31  C4   S    C6   C7      0.00   0.0  0
 QBG  CONST_32  C5   C4   S    C6    180.00   0.0  0
 QBG  CONST_33  C4   C3   C7   C6      0.00   0.0  0
 QBG  CONST_34  C    C5   C4   S     180.00   0.0  0
 QBG  CONST_35  C16  C22  C21  C23   180.00   0.0  0
 QBG  CONST_36  C17  S1   C21  C23   180.00   0.0  0
 QBG  CONST_37  O4   C14  C15  C16   180.00   0.0  0
 QBG  CONST_38  O5   C19  C14  C15   180.00   0.0  0
 QBG  CONST_39  O5   C19  C18  C17   180.00   0.0  0
 QBG  CONST_40  O4   C14  C19  C18   180.00   0.0  0
 QBG  CONST_41  C5   C    C1   O3    180.00   0.0  0
 QBG  CONST_42  C3   C2   C1   O3    180.00   0.0  0
 QBG  CONST_43  O9   C    C1   C2    180.00   0.0  0
 QBG  CONST_44  C    C1   C2   F     180.00   0.0  0
 QBG  CONST_45  C4   C3   C2   F     180.00   0.0  0
 QBG  CONST_46  C7   C3   C2   F       0.00   0.0  0
 QBG  CONST_47  C8   C6   C7   C3    180.00   0.0  0
 QBG  CONST_48  C4   S    C6   C8    180.00   0.0  0
 QBG  CONST_49  O9   C    C5   C4    180.00   0.0  0
 QBG  CONST_50  H7   C15  C16  C22     0.00   0.0  0
 QBG  CONST_51  H8   C18  C17  C16   180.00   0.0  0
 QBG  CONST_52  H6   C22  C16  C15     0.00   0.0  0
 QBG  CONST_53  H22  C5   C    C1    180.00   0.0  0
 QBG  CONST_54  H16  C7   C3   C2      0.00   0.0  0
 QBG  Var_01    C22  C21  C23  C24     9.90  30.0  1
 QBG  Var_02    C14  C19  O5   C20  -179.00  30.0  1
 QBG  Var_03    C    C1   O3   C12  -105.15  30.0  2
 QBG  Var_04    O    C8   C6   C7    176.00  30.0  2
 QBG  Var_05    C21  C23  C24  C25  -138.64  30.0  3
 QBG  Var_06    C12  C13  O4   C14   124.64  30.0  1
 QBG  Var_07    C10  C9   C8   C6   -147.82  30.0  3
 QBG  Var_08    H9   C20  O5   C19   179.51  30.0  3
 QBG  Var_09    H14  C12  O3   C1    -93.05  30.0  1
 QBG  Var_10    H23  C27  O9   C    -179.33  30.0  3
 QBG  Var_11    C24  C25  C26  O7    171.06  30.0  2
 QBG  Var_12    C23  C24  C25  C26    62.02  30.0  1
 QBG  Var_13    O3   C12  C13  O4    -84.54  30.0  3
 QBG  Var_14    C11  C10  C9   C8     60.88  30.0  3
 QBG  Var_15    O2   C11  C10  C9     -2.71  30.0  3

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
 QBG  plan-1  C23  0.020
 QBG  plan-1  C21  0.020
 QBG  plan-1  C22  0.020
 QBG  plan-1  C16  0.020
 QBG  plan-1  C15  0.020
 QBG  plan-1  S1   0.020
 QBG  plan-1  C17  0.020
 QBG  plan-1  C18  0.020
 QBG  plan-1  C19  0.020
 QBG  plan-1  O5   0.020
 QBG  plan-1  C14  0.020
 QBG  plan-1  O4   0.020
 QBG  plan-1  H6   0.020
 QBG  plan-1  H7   0.020
 QBG  plan-1  H8   0.020
 QBG  plan-2  O3   0.020
 QBG  plan-2  C1   0.020
 QBG  plan-2  C2   0.020
 QBG  plan-2  F    0.020
 QBG  plan-2  C3   0.020
 QBG  plan-2  C7   0.020
 QBG  plan-2  C6   0.020
 QBG  plan-2  C8   0.020
 QBG  plan-2  S    0.020
 QBG  plan-2  C4   0.020
 QBG  plan-2  C5   0.020
 QBG  plan-2  C    0.020
 QBG  plan-2  O9   0.020
 QBG  plan-2  H16  0.020
 QBG  plan-2  H22  0.020
 QBG  plan-3  C24  0.020
 QBG  plan-3  C23  0.020
 QBG  plan-3  O6   0.020
 QBG  plan-3  C21  0.020
 QBG  plan-4  C6   0.020
 QBG  plan-4  C8   0.020
 QBG  plan-4  C9   0.020
 QBG  plan-4  O    0.020
 QBG  plan-5  O7   0.020
 QBG  plan-5  C26  0.020
 QBG  plan-5  O8   0.020
 QBG  plan-5  C25  0.020
 QBG  plan-6  C10  0.020
 QBG  plan-6  C11  0.020
 QBG  plan-6  O2   0.020
 QBG  plan-6  O1   0.020

