# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon Mar 21 05:40:56 2022
#   Inital geometry file: a 153 line input string
#   Ligand name: 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)c1cc(cc(c1)c2ccc3OC[C@@H](N)c3c2)[C@H](O)Cn4ccc5cccc(C(O)=O)c45
#
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
 QGS  QGS  '1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid'  ligand  61  34  .  2022-03-23  2022-03-23
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_QGS
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
 QGS  C1   C  CR15   0  -0.025  36.6549   3.6450  -9.0718
 QGS  C2   C  CR15   0  -0.423  37.1429   2.4041  -9.3425
 QGS  C11  C  CR6    0   0.102  34.6543   6.0332  -5.5525
 QGS  C12  C  CR16   0  -0.426  35.2815   7.2424  -5.2783
 QGS  C13  C  CH1    0  -0.010  35.3902   4.8751  -6.1921
 QGS  C15  C  CR6    0  -0.042  34.3140   1.6215  -7.2020
 QGS  C16  C  CR16   0  -0.337  34.4079   0.2434  -7.0685
 QGS  C17  C  CR16   0  -0.261  35.3839  -0.5180  -7.7260
 QGS  C18  C  CR16   0  -0.364  36.3285   0.0891  -8.5258
 QGS  C19  C  CH3    0  -0.642  34.6515  10.7541  -5.1689
 QGS  C20  C  CH3    0  -0.644  35.2922   9.8992  -2.8875
 QGS  C21  C  CR56   0   0.014  28.9282   7.5860  -4.0440
 QGS  C22  C  CR56   0   0.399  28.4722   6.3206  -3.7078
 QGS  C23  C  CR16   0  -0.341  29.3295   5.2341  -3.6585
 QGS  C24  C  CR16   0  -0.310  30.6661   5.4561  -3.9632
 QGS  C25  C  CR6    0   0.069  31.1557   6.7209  -4.3111
 QGS  C26  C  CR16   0  -0.378  30.2595   7.7963  -4.3349
 QGS  C27  C  CR15   0  -0.200  27.7820   8.5521  -3.9173
 QGS  C28  C  CH2    0  -0.192  26.6035   7.5547  -3.8280
 QGS  N3   N  NR5    0  -0.521  35.5410   3.5655  -8.2802
 QGS  C4   C  CR56   0   0.324  35.2955   2.2375  -7.9974
 QGS  C5   C  CR56   0   0.047  36.3009   1.4819  -8.6520
 QGS  C6   C  CH2    0  -0.344  34.9535   4.7250  -7.6492
 QGS  C7   C  CR6    0   0.224  34.5830   8.2911  -4.6858
 QGS  C8   C  CR16   0  -0.414  33.2412   8.1092  -4.3682
 QGS  C9   C  CR6    0   0.163  32.5827   6.9105  -4.6464
 QGS  C10  C  CR16   0  -0.420  33.3082   5.8823  -5.2451
 QGS  O29  O  O      0  -0.484  27.1522   6.2816  -3.4432
 QGS  N30  N  NH2    0  -0.780  27.9928   9.4410  -2.7896
 QGS  O31  O  OH1    0  -0.653  36.7857   5.0265  -6.1882
 QGS  C32  C  C      0   0.374  33.1267   2.3226  -6.5573
 QGS  O33  O  OC    -1  -0.592  32.9679   2.1379  -5.3368
 QGS  O34  O  O      0  -0.590  32.4015   2.9868  -7.3242
 QGS  H1   H  HCR5   0   0.275  37.0171   4.6105  -9.3898
 QGS  H2   H  HCR5   0   0.239  38.0028   2.1726  -9.9508
 QGS  H3   H  HCR6   0   0.238  36.3289   7.3765  -5.5201
 QGS  H4   H  HCH1   0   0.235  35.1019   3.9621  -5.6530
 QGS  H5   H  HCH1   0   0.238  36.3164   9.4991  -4.7151
 QGS  H6   H  HCR6   0   0.236  33.6800  -0.2679  -6.4503
 QGS  H7   H  HCR6   0   0.236  35.3894  -1.5936  -7.6011
 QGS  H8   H  HCR6   0   0.237  37.0850  -0.4941  -9.0365
 QGS  H9   H  HCH3   0   0.228  35.1940  11.6827  -4.9843
 QGS  H10  H  HCH3   0   0.229  34.6695  10.5628  -6.2425
 QGS  H11  H  HCH3   0   0.220  33.6125  10.9149  -4.8753
 QGS  H12  H  HCH3   0   0.228  35.8464  10.8170  -2.6848
 QGS  H13  H  HCH3   0   0.220  34.2812  10.0323  -2.4978
 QGS  H14  H  HCH3   0   0.229  35.7630   9.0920  -2.3253
 QGS  H15  H  HCR6   0   0.261  28.9798   4.2465  -3.3874
 QGS  H16  H  HCR6   0   0.247  31.3433   4.6116  -3.9222
 QGS  H17  H  HCR6   0   0.251  30.5989   8.7891  -4.6053
 QGS  H18  H  HCR5   0   0.264  27.6654   9.1717  -4.8091
 QGS  H19  H  HCH2   0   0.242  25.8526   7.8468  -3.0937
 QGS  H20  H  HCH2   0   0.237  26.1185   7.4378  -4.8008
 QGS  H21  H  HCH2   0   0.265  35.2698   5.6059  -8.2110
 QGS  H22  H  HCH2   0   0.286  33.8704   4.6667  -7.7080
 QGS  H23  H  HCR6   0   0.243  32.7020   8.9107  -3.8759
 QGS  H24  H  HCR6   0   0.264  32.8128   4.9534  -5.5005
 QGS  H25  H  HNH2   0   0.351  27.2011  10.0653  -2.6914
 QGS  H26  H  HNH2   0   0.345  28.0464   8.9088  -1.9289
 QGS  H28  H  HOH1   0   0.454  37.1021   4.9424  -5.2827
 QGS  C14  C  CH1    0  -0.327  35.2776   9.6000  -4.3863

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
 QGS  C2   C1   aromatic  1.361  0.020  1.361
 QGS  C2   C5   aromatic  1.427  0.020  1.427
 QGS  C1   N3   aromatic  1.369  0.020  1.369
 QGS  C5   C18  aromatic  1.399  0.020  1.399
 QGS  C5   C4   aromatic  1.418  0.020  1.418
 QGS  C18  C17  aromatic  1.379  0.020  1.379
 QGS  N3   C4   aromatic  1.380  0.020  1.380
 QGS  N3   C6   single    1.445  0.020  1.445
 QGS  C4   C15  aromatic  1.405  0.020  1.405
 QGS  C6   C13  single    1.529  0.020  1.529
 QGS  C17  C16  aromatic  1.402  0.020  1.402
 QGS  O31  C13  single    1.404  0.020  1.404
 QGS  C15  C16  aromatic  1.388  0.020  1.388
 QGS  C15  C32  single    1.522  0.020  1.522
 QGS  C13  C11  single    1.514  0.020  1.514
 QGS  O34  C32  deloc     1.247  0.020  1.247
 QGS  C11  C10  aromatic  1.389  0.020  1.389
 QGS  C11  C12  aromatic  1.389  0.020  1.389
 QGS  C32  O33  deloc     1.245  0.020  1.245
 QGS  C10  C9   aromatic  1.394  0.020  1.394
 QGS  C12  C7   aromatic  1.392  0.020  1.392
 QGS  C9   C25  single    1.478  0.020  1.478
 QGS  C9   C8   aromatic  1.396  0.020  1.396
 QGS  C7   C8   aromatic  1.391  0.020  1.391
 QGS  C7   C14  single    1.512  0.020  1.512
 QGS  C25  C26  aromatic  1.400  0.020  1.400
 QGS  C25  C24  aromatic  1.400  0.020  1.400
 QGS  C26  C21  aromatic  1.379  0.020  1.379
 QGS  C19  C14  single    1.529  0.020  1.529
 QGS  C24  C23  aromatic  1.389  0.020  1.389
 QGS  C21  C27  single    1.504  0.020  1.504
 QGS  C21  C22  aromatic  1.386  0.020  1.386
 QGS  C27  C28  single    1.546  0.020  1.546
 QGS  C27  N30  single    1.451  0.020  1.451
 QGS  C14  C20  single    1.528  0.020  1.528
 QGS  C23  C22  aromatic  1.385  0.020  1.385
 QGS  C22  O29  single    1.347  0.020  1.347
 QGS  C28  O29  single    1.439  0.020  1.439
 QGS  C1   H1   single    0.930  0.020  1.080
 QGS  C2   H2   single    0.930  0.020  1.080
 QGS  C12  H3   single    0.930  0.020  1.080
 QGS  C13  H4   single    0.970  0.020  1.090
 QGS  C14  H5   single    0.970  0.020  1.090
 QGS  C16  H6   single    0.930  0.020  1.080
 QGS  C17  H7   single    0.930  0.020  1.080
 QGS  C18  H8   single    0.930  0.020  1.080
 QGS  C19  H9   single    0.970  0.020  1.090
 QGS  C19  H10  single    0.970  0.020  1.090
 QGS  C19  H11  single    0.970  0.020  1.090
 QGS  C20  H12  single    0.970  0.020  1.090
 QGS  C20  H13  single    0.970  0.020  1.090
 QGS  C20  H14  single    0.970  0.020  1.090
 QGS  C23  H15  single    0.930  0.020  1.080
 QGS  C24  H16  single    0.930  0.020  1.080
 QGS  C26  H17  single    0.930  0.020  1.080
 QGS  C27  H18  single    0.970  0.020  1.090
 QGS  C28  H19  single    0.970  0.020  1.090
 QGS  C28  H20  single    0.970  0.020  1.090
 QGS  C6   H21  single    0.970  0.020  1.090
 QGS  C6   H22  single    0.970  0.020  1.090
 QGS  C8   H23  single    0.930  0.020  1.080
 QGS  C10  H24  single    0.930  0.020  1.080
 QGS  N30  H25  single    0.890  0.020  1.040
 QGS  N30  H26  single    0.890  0.020  1.040
 QGS  O31  H28  single    0.850  0.020  0.980

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
 QGS  H1   C1   N3   119.71  3.000
 QGS  H1   C1   C2   129.57  3.000
 QGS  N3   C1   C2   110.72  3.000
 QGS  H2   C2   C5   127.20  3.000
 QGS  H2   C2   C1   126.44  3.000
 QGS  C5   C2   C1   106.35  3.000
 QGS  C10  C11  C13  118.78  3.000
 QGS  C10  C11  C12  119.23  3.000
 QGS  C13  C11  C12  121.98  3.000
 QGS  H3   C12  C7   119.13  3.000
 QGS  H3   C12  C11  120.01  3.000
 QGS  C7   C12  C11  120.86  3.000
 QGS  H4   C13  O31  110.43  3.000
 QGS  H4   C13  C6   108.13  3.000
 QGS  O31  C13  C6   107.30  3.000
 QGS  H4   C13  C11  107.51  3.000
 QGS  O31  C13  C11  113.56  3.000
 QGS  C6   C13  C11  109.82  3.000
 QGS  C32  C15  C4   125.63  3.000
 QGS  C32  C15  C16  118.00  3.000
 QGS  C4   C15  C16  116.26  3.000
 QGS  H6   C16  C17  118.64  3.000
 QGS  H6   C16  C15  118.56  3.000
 QGS  C17  C16  C15  122.78  3.000
 QGS  H7   C17  C18  120.06  3.000
 QGS  H7   C17  C16  119.27  3.000
 QGS  C18  C17  C16  120.67  3.000
 QGS  H8   C18  C5   120.49  3.000
 QGS  H8   C18  C17  121.00  3.000
 QGS  C5   C18  C17  118.51  3.000
 QGS  H11  C19  H10  107.84  3.000
 QGS  H11  C19  H9   107.60  3.000
 QGS  H10  C19  H9   107.91  3.000
 QGS  H11  C19  C14  111.31  3.000
 QGS  H10  C19  C14  111.39  3.000
 QGS  H9   C19  C14  110.62  3.000
 QGS  H14  C20  H13  107.82  3.000
 QGS  H14  C20  H12  107.91  3.000
 QGS  H13  C20  H12  107.55  3.000
 QGS  H14  C20  C14  111.39  3.000
 QGS  H13  C20  C14  111.41  3.000
 QGS  H12  C20  C14  110.59  3.000
 QGS  C27  C21  C26  130.95  3.000
 QGS  C27  C21  C22  108.37  3.000
 QGS  C26  C21  C22  120.53  3.000
 QGS  O29  C22  C23  125.24  3.000
 QGS  O29  C22  C21  113.35  3.000
 QGS  C23  C22  C21  121.40  3.000
 QGS  H15  C23  C24  120.79  3.000
 QGS  H15  C23  C22  121.66  3.000
 QGS  C24  C23  C22  117.55  3.000
 QGS  H16  C24  C25  119.67  3.000
 QGS  H16  C24  C23  117.95  3.000
 QGS  C25  C24  C23  122.38  3.000
 QGS  C9   C25  C26  121.04  3.000
 QGS  C26  C25  C24  118.31  3.000
 QGS  C9   C25  C24  120.65  3.000
 QGS  H17  C26  C25  120.50  3.000
 QGS  H17  C26  C21  119.66  3.000
 QGS  C25  C26  C21  119.82  3.000
 QGS  H18  C27  N30  107.61  3.000
 QGS  H18  C27  C28  109.37  3.000
 QGS  N30  C27  C28  117.44  3.000
 QGS  H18  C27  C21  112.14  3.000
 QGS  N30  C27  C21  110.37  3.000
 QGS  C28  C27  C21   99.86  3.000
 QGS  H20  C28  H19  108.81  3.000
 QGS  H20  C28  O29  108.21  3.000
 QGS  H19  C28  O29  108.64  3.000
 QGS  H20  C28  C27  110.83  3.000
 QGS  H19  C28  C27  113.02  3.000
 QGS  O29  C28  C27  107.19  3.000
 QGS  C6   N3   C4   127.62  3.000
 QGS  C6   N3   C1   122.47  3.000
 QGS  C4   N3   C1   108.62  3.000
 QGS  C5   C4   N3   106.98  3.000
 QGS  N3   C4   C15  131.46  3.000
 QGS  C5   C4   C15  121.53  3.000
 QGS  C4   C5   C18  120.20  3.000
 QGS  C4   C5   C2   107.30  3.000
 QGS  C18  C5   C2   132.50  3.000
 QGS  H22  C6   H21  107.72  3.000
 QGS  H22  C6   N3   109.80  3.000
 QGS  H21  C6   N3   107.76  3.000
 QGS  H22  C6   C13  109.98  3.000
 QGS  H21  C6   C13  109.17  3.000
 QGS  N3   C6   C13  112.27  3.000
 QGS  C8   C7   C14  120.75  3.000
 QGS  C14  C7   C12  120.39  3.000
 QGS  C8   C7   C12  118.86  3.000
 QGS  H23  C8   C9   119.39  3.000
 QGS  H23  C8   C7   119.13  3.000
 QGS  C9   C8   C7   121.47  3.000
 QGS  C10  C9   C8   118.27  3.000
 QGS  C8   C9   C25  121.37  3.000
 QGS  C10  C9   C25  120.36  3.000
 QGS  H24  C10  C9   119.73  3.000
 QGS  H24  C10  C11  118.96  3.000
 QGS  C9   C10  C11  121.30  3.000
 QGS  C28  O29  C22  107.20  3.000
 QGS  H26  N30  H25  106.43  3.000
 QGS  H26  N30  C27  110.24  3.000
 QGS  H25  N30  C27  109.83  3.000
 QGS  H28  O31  C13  108.66  3.000
 QGS  O34  C32  O33  127.44  3.000
 QGS  O33  C32  C15  116.52  3.000
 QGS  O34  C32  C15  116.00  3.000
 QGS  H5   C14  C7   107.26  3.000
 QGS  H5   C14  C20  107.68  3.000
 QGS  C7   C14  C20  111.60  3.000
 QGS  H5   C14  C19  107.74  3.000
 QGS  C20  C14  C19  110.99  3.000
 QGS  C7   C14  C19  111.35  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
 QGS  CONST_01  C18  C5   C2   C1    180.00   0.0  0
 QGS  CONST_02  C4   C5   C2   C1      0.00   0.0  0
 QGS  CONST_03  C5   C4   N3   C1      0.00   0.0  0
 QGS  CONST_04  C15  C4   N3   C1    180.00   0.0  0
 QGS  CONST_05  C4   N3   C1   C2      0.00   0.0  0
 QGS  CONST_06  C17  C18  C5   C2    180.00   0.0  0
 QGS  CONST_07  N3   C4   C5   C2      0.00   0.0  0
 QGS  CONST_08  C15  C4   C5   C2    180.00   0.0  0
 QGS  CONST_09  C25  C9   C10  C11   180.00   0.0  0
 QGS  CONST_10  C8   C9   C10  C11     0.00   0.0  0
 QGS  CONST_11  C8   C7   C12  C11     0.00   0.0  0
 QGS  CONST_12  C9   C10  C11  C12     0.00   0.0  0
 QGS  CONST_13  C9   C8   C7   C12     0.00   0.0  0
 QGS  CONST_14  C18  C5   C4   C15     0.00   0.0  0
 QGS  CONST_15  C18  C17  C16  C15     0.00   0.0  0
 QGS  CONST_16  C5   C18  C17  C16     0.00   0.0  0
 QGS  CONST_17  C5   C4   C15  C16     0.00   0.0  0
 QGS  CONST_18  N3   C4   C15  C16   180.00   0.0  0
 QGS  CONST_19  C4   C5   C18  C17     0.00   0.0  0
 QGS  CONST_20  C4   C15  C16  C17     0.00   0.0  0
 QGS  CONST_21  N3   C4   C5   C18   180.00   0.0  0
 QGS  CONST_22  C9   C25  C26  C21   180.00   0.0  0
 QGS  CONST_23  C24  C25  C26  C21     0.00   0.0  0
 QGS  CONST_24  C24  C23  C22  C21     0.00   0.0  0
 QGS  CONST_25  C25  C26  C21  C22     0.00   0.0  0
 QGS  CONST_26  C25  C24  C23  C22     0.00   0.0  0
 QGS  CONST_27  C9   C25  C24  C23   180.00   0.0  0
 QGS  CONST_28  C26  C25  C24  C23     0.00   0.0  0
 QGS  CONST_29  C26  C21  C22  C23     0.00   0.0  0
 QGS  CONST_32  C7   C8   C9   C25   180.00   0.0  0
 QGS  CONST_35  C5   C2   C1   N3      0.00   0.0  0
 QGS  CONST_36  C10  C11  C12  C7      0.00   0.0  0
 QGS  CONST_37  C10  C9   C8   C7      0.00   0.0  0
 QGS  CONST_38  C6   N3   C1   C2    180.00   0.0  0
 QGS  CONST_39  C14  C7   C12  C11   180.00   0.0  0
 QGS  CONST_40  C9   C10  C11  C13   180.00   0.0  0
 QGS  CONST_41  C7   C12  C11  C13   180.00   0.0  0
 QGS  CONST_42  C9   C8   C7   C14   180.00   0.0  0
 QGS  CONST_43  C6   N3   C4   C15     0.00   0.0  0
 QGS  CONST_44  C32  C15  C16  C17   180.00   0.0  0
 QGS  CONST_45  C32  C15  C4   N3      0.00   0.0  0
 QGS  CONST_46  C6   N3   C4   C5    180.00   0.0  0
 QGS  CONST_47  C32  C15  C4   C5    180.00   0.0  0
 QGS  CONST_48  H8   C18  C5   C2      0.00   0.0  0
 QGS  CONST_49  H24  C10  C11  C12   180.00   0.0  0
 QGS  CONST_50  H23  C8   C7   C12   180.00   0.0  0
 QGS  CONST_51  H7   C17  C16  C15   180.00   0.0  0
 QGS  CONST_52  H2   C2   C5   C18     0.00   0.0  0
 QGS  CONST_53  H6   C16  C17  C18   180.00   0.0  0
 QGS  CONST_54  H15  C23  C22  C21   180.00   0.0  0
 QGS  CONST_55  H17  C26  C21  C22   180.00   0.0  0
 QGS  CONST_56  H16  C24  C23  C22   180.00   0.0  0
 QGS  CONST_57  H1   C1   N3   C4    180.00   0.0  0
 QGS  CONST_58  H3   C12  C7   C8    180.00   0.0  0
 QGS  Var_01    C27  C28  O29  C22   -18.74  30.0  1
 QGS  Var_02    C13  C6   N3   C1    -98.07  30.0  2
 QGS  Var_03    C19  C14  C7   C12   117.59  30.0  2
 QGS  Var_04    O34  C32  C15  C16  -122.09  30.0  2
 QGS  Var_05    H9   C19  C14  C7   -177.04  30.0  3
 QGS  Var_06    H12  C20  C14  C7    176.75  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
 QGS  chir_01  C13  C6   O31  C11  negativ
 QGS  chir_02  C27  C21  C28  N30  negativ

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
 QGS  plan-1  C11  0.020
 QGS  plan-1  C12  0.020
 QGS  plan-1  C13  0.020
 QGS  plan-1  C25  0.020
 QGS  plan-1  C7   0.020
 QGS  plan-1  C8   0.020
 QGS  plan-1  C9   0.020
 QGS  plan-1  C10  0.020
 QGS  plan-1  H3   0.020
 QGS  plan-1  H23  0.020
 QGS  plan-1  H24  0.020
 QGS  plan-1  C14  0.020
 QGS  plan-2  C1   0.020
 QGS  plan-2  C2   0.020
 QGS  plan-2  C15  0.020
 QGS  plan-2  C16  0.020
 QGS  plan-2  C17  0.020
 QGS  plan-2  C18  0.020
 QGS  plan-2  N3   0.020
 QGS  plan-2  C4   0.020
 QGS  plan-2  C5   0.020
 QGS  plan-2  C6   0.020
 QGS  plan-2  C32  0.020
 QGS  plan-2  H1   0.020
 QGS  plan-2  H2   0.020
 QGS  plan-2  H6   0.020
 QGS  plan-2  H7   0.020
 QGS  plan-2  H8   0.020
 QGS  plan-3  C21  0.020
 QGS  plan-3  C22  0.020
 QGS  plan-3  C23  0.020
 QGS  plan-3  C24  0.020
 QGS  plan-3  C25  0.020
 QGS  plan-3  C26  0.020
 QGS  plan-3  C27  0.020
 QGS  plan-3  C9   0.020
 QGS  plan-3  O29  0.020
 QGS  plan-3  H15  0.020
 QGS  plan-3  H16  0.020
 QGS  plan-3  H17  0.020
 QGS  plan-4  C15  0.020
 QGS  plan-4  C32  0.020
 QGS  plan-4  O33  0.020
 QGS  plan-4  O34  0.020

