# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon Jul 26 02:46:36 2021
#   Inital geometry file: a 160 line input string
#   Ligand name: benzyl (2S)-2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Nc1ncnc2n(CCNC(=O)C3=C(O)C(=O)NC(=N3)[C@@H]4CCCN4C(=O)OCc5ccccc5)cnc12
#
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
 QPY  QPY  'benzyl (2S)-2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate'  ligand  63  38  .  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_QPY
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
 QPY  C15  C  CH2   0  -0.248  39.0359  15.0207  14.0947
 QPY  C17  C  CR16  0  -0.309  38.3275  15.2921  11.7135
 QPY  C1   C  CR6   0   0.506  40.4380  15.0618  19.0240
 QPY  C10  C  CR16  0   0.036  42.8161  15.2598  12.9743
 QPY  C11  C  CR6   0   0.472  42.0270  13.4569  11.7804
 QPY  C12  C  CR6   0   0.527  39.9377  13.1707  17.5954
 QPY  C13  C  CR15  0  -0.199  38.8476  12.2752  17.0572
 QPY  C14  C  C     0   0.776  39.2380  12.7417  14.6715
 QPY  C16  C  CR6   0   0.075  37.9840  14.9731  13.0232
 QPY  C18  C  CR16  0  -0.244  37.3631  15.3136  10.7144
 QPY  C19  C  CR16  0  -0.268  36.0432  15.0049  11.0153
 QPY  C2   C  CR6   0   0.213  41.8300  14.8239  18.6509
 QPY  C20  C  CR16  0  -0.243  35.6947  14.6821  12.3210
 QPY  C21  C  CR16  0  -0.288  36.6580  14.6715  13.3207
 QPY  C22  C  CH2   0  -0.256  39.5616  10.4873  15.5731
 QPY  C23  C  CH2   0  -0.482  39.7556  10.0448  17.0192
 QPY  C24  C  CH2   0  -0.468  38.7922  10.9324  17.8019
 QPY  C3   C  CR6   0  -0.034  42.1165  13.7844  17.8152
 QPY  C4   C  C     0   0.609  43.5283  13.4904  17.4660
 QPY  C6   C  CH2   0  -0.328  45.4917  12.5186  15.0293
 QPY  C7   C  CR15  0   0.103  44.1758  11.1832  13.3477
 QPY  C8   C  CR56  0   0.019  42.9345  12.6602  12.4980
 QPY  C9   C  CR56  0   0.482  43.7235  13.3149  13.4325
 QPY  N1   N  NR16  0  -0.701  39.5691  14.1709  18.4360
 QPY  N2   N  NH1   0  -0.637  43.7159  12.3901  16.7423
 QPY  N3   N  NR5   0  -0.497  44.5223  12.3494  13.9685
 QPY  N4   N  N     0  -0.451  43.2324  11.3237  12.4618
 QPY  N5   N  N     0  -0.449  43.7002  14.6162  13.7133
 QPY  N6   N  N     0  -0.485  41.9998  14.7663  12.0437
 QPY  N8   N  N     0  -0.453  41.1644  12.9627  17.2873
 QPY  N9   N  NR5   0  -0.499  39.1333  11.8753  15.6974
 QPY  O2   O  OH1   0  -0.605  42.7130  15.6577  19.1794
 QPY  O3   O  O     0  -0.523  44.4421  14.2224  17.8643
 QPY  O4   O  O2    0  -0.488  38.9121  13.9828  15.0608
 QPY  O5   O  O     0  -0.486  39.5738  12.4461  13.5465
 QPY  H1   H  HCH2  0   0.263  38.9405  15.9392  14.6756
 QPY  H2   H  HCH2  0   0.264  40.0297  15.0143  13.6456
 QPY  H3   H  HCR6  0   0.250  39.3604  15.5229  11.4765
 QPY  H4   H  HCR6  0   0.251  42.7382  16.3288  13.1420
 QPY  H5   H  HCR5  0   0.300  37.8882  12.7939  17.1261
 QPY  H6   H  HCR6  0   0.257  37.6460  15.5625   9.6997
 QPY  H7   H  HCR6  0   0.255  35.2903  15.0147  10.2381
 QPY  H8   H  HCR6  0   0.255  34.6675  14.4427  12.5644
 QPY  H9   H  HCR6  0   0.251  36.3696  14.4227  14.3348
 QPY  H10  H  HCH2  0   0.241  38.7921   9.8936  15.0733
 QPY  H11  H  HCH2  0   0.249  40.4752  10.4149  14.9827
 QPY  H12  H  HCH2  0   0.260  39.5460   8.9848  17.1545
 QPY  H13  H  HCH2  0   0.247  40.7831  10.2254  17.3365
 QPY  H14  H  HCH2  0   0.269  39.0487  11.0300  18.8562
 QPY  H15  H  HCH2  0   0.264  37.7743  10.5438  17.7435
 QPY  H18  H  HCH2  0   0.287  46.4363  12.0607  14.7356
 QPY  H19  H  HCH2  0   0.280  45.6636  13.5869  15.1474
 QPY  H20  H  HCR5  0   0.295  44.6687  10.2526  13.5897
 QPY  H21  H  HNR6  0   0.434  38.5858  14.2970  18.6467
 QPY  H22  H  HNH1  0   0.416  42.8852  11.8827  16.4723
 QPY  H23  H  HNH2  0   0.393  40.4657  13.5333  10.5066
 QPY  H24  H  HNH2  0   0.399  41.0755  11.9717  10.7912
 QPY  H25  H  HOH1  0   0.480  43.5973  15.3781  18.8442
 QPY  O1   O  O     0  -0.453  40.0655  15.9468  19.7702
 QPY  C5   C  CH2   0  -0.324  45.0094  11.9016  16.3367
 QPY  N7   N  NH2   0  -0.815  41.2376  12.9645  10.8136
 QPY  H16  H  HCH2  0   0.277  44.9361  10.8191  16.2373
 QPY  H17  H  HCH2  0   0.276  45.7468  12.1031  17.1135

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
 QPY  N6   C10  aromatic  1.333  0.020  1.333
 QPY  N6   C11  aromatic  1.336  0.020  1.336
 QPY  N7   C11  single    1.342  0.020  1.342
 QPY  C10  N5   aromatic  1.320  0.020  1.320
 QPY  C11  C8   aromatic  1.405  0.020  1.405
 QPY  N5   C9   aromatic  1.331  0.020  1.331
 QPY  C8   C9   aromatic  1.387  0.020  1.387
 QPY  C8   N4   aromatic  1.370  0.020  1.370
 QPY  C9   N3   aromatic  1.363  0.020  1.363
 QPY  N4   C7   aromatic  1.302  0.020  1.302
 QPY  N3   C7   aromatic  1.366  0.020  1.366
 QPY  N3   C6   single    1.447  0.020  1.447
 QPY  C19  C20  aromatic  1.389  0.020  1.389
 QPY  C19  C18  aromatic  1.389  0.020  1.389
 QPY  C20  C21  aromatic  1.388  0.020  1.388
 QPY  C18  C17  aromatic  1.389  0.020  1.389
 QPY  C6   C5   single    1.524  0.020  1.524
 QPY  O5   C14  double    1.211  0.020  1.211
 QPY  C17  C16  aromatic  1.391  0.020  1.391
 QPY  C21  C16  aromatic  1.392  0.020  1.392
 QPY  O4   C14  single    1.341  0.020  1.341
 QPY  O4   C15  single    1.423  0.020  1.423
 QPY  C16  C15  single    1.502  0.020  1.502
 QPY  C14  N9   single    1.347  0.020  1.347
 QPY  C5   N2   single    1.441  0.020  1.441
 QPY  N2   C4   single    1.330  0.020  1.330
 QPY  N9   C22  single    1.458  0.020  1.458
 QPY  N9   C13  single    1.446  0.020  1.446
 QPY  C22  C23  single    1.525  0.020  1.525
 QPY  C4   O3   double    1.237  0.020  1.237
 QPY  C4   C3   single    1.484  0.020  1.484
 QPY  N8   C3   single    1.364  0.020  1.364
 QPY  N8   C12  double    1.282  0.020  1.282
 QPY  C3   C2   double    1.364  0.020  1.364
 QPY  C13  C12  single    1.510  0.020  1.510
 QPY  C13  C24  single    1.536  0.020  1.536
 QPY  C12  N1   single    1.358  0.020  1.358
 QPY  C2   O2   single    1.324  0.020  1.324
 QPY  C2   C1   single    1.461  0.020  1.461
 QPY  C23  C24  single    1.526  0.020  1.526
 QPY  N1   C1   single    1.376  0.020  1.376
 QPY  C1   O1   double    1.216  0.020  1.216
 QPY  C15  H1   single    0.970  0.020  1.090
 QPY  C15  H2   single    0.970  0.020  1.090
 QPY  C17  H3   single    0.930  0.020  1.080
 QPY  C10  H4   single    0.930  0.020  1.080
 QPY  C13  H5   single    0.970  0.020  1.090
 QPY  C18  H6   single    0.930  0.020  1.080
 QPY  C19  H7   single    0.930  0.020  1.080
 QPY  C20  H8   single    0.930  0.020  1.080
 QPY  C21  H9   single    0.930  0.020  1.080
 QPY  C22  H10  single    0.970  0.020  1.090
 QPY  C22  H11  single    0.970  0.020  1.090
 QPY  C23  H12  single    0.970  0.020  1.090
 QPY  C23  H13  single    0.970  0.020  1.090
 QPY  C24  H14  single    0.970  0.020  1.090
 QPY  C24  H15  single    0.970  0.020  1.090
 QPY  C5   H16  single    0.970  0.020  1.090
 QPY  C5   H17  single    0.970  0.020  1.090
 QPY  C6   H18  single    0.970  0.020  1.090
 QPY  C6   H19  single    0.970  0.020  1.090
 QPY  C7   H20  single    0.930  0.020  1.080
 QPY  N1   H21  single    0.860  0.020  1.020
 QPY  N2   H22  single    0.860  0.020  1.020
 QPY  N7   H23  single    0.890  0.020  1.040
 QPY  N7   H24  single    0.890  0.020  1.040
 QPY  O2   H25  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
 QPY  H2   C15  H1   107.69  3.000
 QPY  H2   C15  O4   110.76  3.000
 QPY  H1   C15  O4   104.18  3.000
 QPY  H2   C15  C16  110.13  3.000
 QPY  H1   C15  C16  110.19  3.000
 QPY  O4   C15  C16  113.58  3.000
 QPY  H3   C17  C18  120.06  3.000
 QPY  H3   C17  C16  119.32  3.000
 QPY  C18  C17  C16  120.62  3.000
 QPY  O1   C1   N1   122.67  3.000
 QPY  O1   C1   C2   124.55  3.000
 QPY  N1   C1   C2   112.78  3.000
 QPY  H4   C10  N6   115.40  3.000
 QPY  H4   C10  N5   116.24  3.000
 QPY  N6   C10  N5   128.37  3.000
 QPY  N7   C11  N6   119.33  3.000
 QPY  N7   C11  C8   122.68  3.000
 QPY  N6   C11  C8   117.93  3.000
 QPY  N8   C12  N1   121.89  3.000
 QPY  N1   C12  C13  117.50  3.000
 QPY  N8   C12  C13  120.60  3.000
 QPY  H5   C13  N9   111.35  3.000
 QPY  H5   C13  C24  110.65  3.000
 QPY  N9   C13  C24  102.78  3.000
 QPY  H5   C13  C12  109.26  3.000
 QPY  C24  C13  C12  111.82  3.000
 QPY  N9   C13  C12  110.89  3.000
 QPY  O5   C14  O4   124.27  3.000
 QPY  O4   C14  N9   110.82  3.000
 QPY  O5   C14  N9   124.91  3.000
 QPY  C21  C16  C17  119.09  3.000
 QPY  C21  C16  C15  121.43  3.000
 QPY  C17  C16  C15  119.43  3.000
 QPY  H6   C18  C19  120.18  3.000
 QPY  H6   C18  C17  119.76  3.000
 QPY  C19  C18  C17  120.05  3.000
 QPY  H7   C19  C20  120.17  3.000
 QPY  H7   C19  C18  120.25  3.000
 QPY  C20  C19  C18  119.58  3.000
 QPY  O2   C2   C3   125.75  3.000
 QPY  O2   C2   C1   115.52  3.000
 QPY  C3   C2   C1   118.73  3.000
 QPY  H8   C20  C21  119.66  3.000
 QPY  H8   C20  C19  120.04  3.000
 QPY  C21  C20  C19  120.29  3.000
 QPY  H9   C21  C20  119.41  3.000
 QPY  H9   C21  C16  120.23  3.000
 QPY  C20  C21  C16  120.36  3.000
 QPY  H11  C22  H10  107.84  3.000
 QPY  H11  C22  N9   110.83  3.000
 QPY  H10  C22  N9   110.45  3.000
 QPY  H11  C22  C23  112.81  3.000
 QPY  H10  C22  C23  111.45  3.000
 QPY  N9   C22  C23  103.47  3.000
 QPY  H13  C23  H12  107.85  3.000
 QPY  H13  C23  C24  110.45  3.000
 QPY  H12  C23  C24  112.39  3.000
 QPY  H13  C23  C22  110.35  3.000
 QPY  H12  C23  C22  112.08  3.000
 QPY  C24  C23  C22  103.73  3.000
 QPY  H15  C24  H14  107.66  3.000
 QPY  H15  C24  C23  110.76  3.000
 QPY  H14  C24  C23  113.57  3.000
 QPY  H15  C24  C13  108.60  3.000
 QPY  H14  C24  C13  112.47  3.000
 QPY  C23  C24  C13  103.71  3.000
 QPY  N8   C3   C4   116.98  3.000
 QPY  N8   C3   C2   123.34  3.000
 QPY  C4   C3   C2   119.66  3.000
 QPY  O3   C4   N2   124.09  3.000
 QPY  O3   C4   C3   120.66  3.000
 QPY  N2   C4   C3   115.22  3.000
 QPY  H19  C6   H18  107.74  3.000
 QPY  H19  C6   N3   107.47  3.000
 QPY  H18  C6   N3   109.51  3.000
 QPY  H19  C6   C5   110.75  3.000
 QPY  H18  C6   C5   109.59  3.000
 QPY  N3   C6   C5   111.69  3.000
 QPY  H20  C7   N4   125.17  3.000
 QPY  H20  C7   N3   121.18  3.000
 QPY  N4   C7   N3   113.64  3.000
 QPY  N4   C8   C9   110.77  3.000
 QPY  N4   C8   C11  132.87  3.000
 QPY  C9   C8   C11  116.35  3.000
 QPY  N5   C9   N3   128.29  3.000
 QPY  N3   C9   C8   105.31  3.000
 QPY  N5   C9   C8   126.40  3.000
 QPY  H21  N1   C12  118.93  3.000
 QPY  H21  N1   C1   116.31  3.000
 QPY  C12  N1   C1   124.75  3.000
 QPY  H22  N2   C5   119.52  3.000
 QPY  H22  N2   C4   116.42  3.000
 QPY  C5   N2   C4   124.07  3.000
 QPY  C9   N3   C7   106.10  3.000
 QPY  C7   N3   C6   127.09  3.000
 QPY  C9   N3   C6   126.74  3.000
 QPY  C8   N4   C7   104.18  3.000
 QPY  C9   N5   C10  111.73  3.000
 QPY  C11  N6   C10  119.22  3.000
 QPY  C3   N8   C12  118.51  3.000
 QPY  C22  N9   C14  121.65  3.000
 QPY  C22  N9   C13  113.67  3.000
 QPY  C14  N9   C13  123.63  3.000
 QPY  H25  O2   C2   106.48  3.000
 QPY  C14  O4   C15  117.18  3.000
 QPY  H17  C5   H16  107.11  3.000
 QPY  H17  C5   N2   110.12  3.000
 QPY  H16  C5   N2   107.59  3.000
 QPY  H17  C5   C6   108.81  3.000
 QPY  H16  C5   C6   110.20  3.000
 QPY  N2   C5   C6   112.85  3.000
 QPY  H24  N7   H23  115.29  3.000
 QPY  H24  N7   C11  118.22  3.000
 QPY  H23  N7   C11  117.60  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
 QPY  CONST_01  C20  C19  C18  C17     0.00   0.0  0
 QPY  CONST_02  C20  C21  C16  C17     0.00   0.0  0
 QPY  CONST_03  C8   C11  N6   C10     0.00   0.0  0
 QPY  CONST_04  C8   C9   N5   C10     0.00   0.0  0
 QPY  CONST_05  N3   C9   N5   C10   180.00   0.0  0
 QPY  CONST_06  N5   C10  N6   C11     0.00   0.0  0
 QPY  CONST_07  N5   C9   C8   C11     0.00   0.0  0
 QPY  CONST_08  N3   C9   C8   C11   180.00   0.0  0
 QPY  CONST_09  C7   N4   C8   C11   180.00   0.0  0
 QPY  CONST_10  C19  C18  C17  C16     0.00   0.0  0
 QPY  CONST_11  C19  C20  C21  C16     0.00   0.0  0
 QPY  CONST_12  C21  C20  C19  C18     0.00   0.0  0
 QPY  CONST_13  C21  C16  C17  C18     0.00   0.0  0
 QPY  CONST_14  C9   C8   N4   C7      0.00   0.0  0
 QPY  CONST_15  N5   C9   N3   C7    180.00   0.0  0
 QPY  CONST_16  C8   C9   N3   C7      0.00   0.0  0
 QPY  CONST_17  N3   C7   N4   C8      0.00   0.0  0
 QPY  CONST_18  N6   C10  N5   C9      0.00   0.0  0
 QPY  CONST_19  N6   C11  C8   C9      0.00   0.0  0
 QPY  CONST_20  N4   C7   N3   C9      0.00   0.0  0
 QPY  CONST_21  N4   C8   C9   N3      0.00   0.0  0
 QPY  CONST_22  N6   C11  C8   N4    180.00   0.0  0
 QPY  CONST_23  N5   C9   C8   N4    180.00   0.0  0
 QPY  CONST_24  N8   C12  N1   C1      0.00   0.0  0
 QPY  CONST_25  C13  C12  N1   C1    180.00   0.0  0
 QPY  CONST_26  C2   C1   N1   C12     0.00   0.0  0
 QPY  CONST_27  C3   N8   C12  C13   180.00   0.0  0
 QPY  CONST_28  N1   C12  N8   C3      0.00   0.0  0
 QPY  CONST_29  C18  C17  C16  C15   180.00   0.0  0
 QPY  CONST_30  C20  C21  C16  C15   180.00   0.0  0
 QPY  CONST_31  N7   C11  N6   C10   180.00   0.0  0
 QPY  CONST_32  N5   C9   N3   C6      0.00   0.0  0
 QPY  CONST_33  C8   C9   N3   C6    180.00   0.0  0
 QPY  CONST_34  N4   C7   N3   C6    180.00   0.0  0
 QPY  CONST_35  N7   C11  C8   C9    180.00   0.0  0
 QPY  CONST_36  N7   C11  C8   N4      0.00   0.0  0
 QPY  CONST_37  O1   C1   N1   C12   180.00   0.0  0
 QPY  CONST_38  H7   C19  C18  C17   180.00   0.0  0
 QPY  CONST_39  H9   C21  C16  C17   180.00   0.0  0
 QPY  CONST_40  H4   C10  N6   C11   180.00   0.0  0
 QPY  CONST_41  H6   C18  C17  C16   180.00   0.0  0
 QPY  CONST_42  H8   C20  C21  C16   180.00   0.0  0
 QPY  CONST_43  H3   C17  C18  C19   180.00   0.0  0
 QPY  CONST_44  H20  C7   N4   C8    180.00   0.0  0
 QPY  CONST_45  H21  N1   C12  C13     0.00   0.0  0
 QPY  CONST_46  H23  N7   C11  C8    180.00   0.0  0
 QPY  CONST_48  C5   N2   C4   C3    180.00   0.0  0
 QPY  CONST_49  H22  N2   C4   C3      0.00   0.0  0
 QPY  CONST_50  O3   C4   N2   C5      0.00   0.0  0
 QPY  Var_01    C23  C22  N9   C13    -8.85  30.0  1
 QPY  Var_02    C22  C23  C24  C13   -35.85  30.0  1
 QPY  Var_03    N9   C22  C23  C24    27.47  30.0  1
 QPY  Var_04    O4   C15  C16  C17  -142.25  30.0  2
 QPY  Var_05    O5   C14  N9   C13   174.18  30.0  2
 QPY  Var_06    N2   C4   C3   C2    174.33  30.0  3
 QPY  Var_07    C9   N3   C6   C5    106.99  30.0  1
 QPY  Var_08    N9   C14  O4   C15   177.16  30.0  3
 QPY  Var_09    C16  C15  O4   C14    72.22  30.0  3
 QPY  Var_10    N3   C6   C5   N2    -54.37  30.0  1
 QPY  Var_11    C6   C5   N2   C4    -86.91  30.0  1

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
 QPY  chir_01  C13  N9  C12  C24  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
 QPY  plan-1  C14  0.020
 QPY  plan-1  N9   0.020
 QPY  plan-1  O4   0.020
 QPY  plan-1  O5   0.020
 QPY  plan-2  C15  0.020
 QPY  plan-2  C17  0.020
 QPY  plan-2  C16  0.020
 QPY  plan-2  C18  0.020
 QPY  plan-2  C19  0.020
 QPY  plan-2  C20  0.020
 QPY  plan-2  C21  0.020
 QPY  plan-2  H3   0.020
 QPY  plan-2  H6   0.020
 QPY  plan-2  H7   0.020
 QPY  plan-2  H8   0.020
 QPY  plan-2  H9   0.020
 QPY  plan-3  C1   0.020
 QPY  plan-3  C12  0.020
 QPY  plan-3  C13  0.020
 QPY  plan-3  C2   0.020
 QPY  plan-3  C3   0.020
 QPY  plan-3  C4   0.020
 QPY  plan-3  N1   0.020
 QPY  plan-3  N8   0.020
 QPY  plan-3  O2   0.020
 QPY  plan-3  H21  0.020
 QPY  plan-3  O1   0.020
 QPY  plan-4  C10  0.020
 QPY  plan-4  C11  0.020
 QPY  plan-4  C6   0.020
 QPY  plan-4  C7   0.020
 QPY  plan-4  C8   0.020
 QPY  plan-4  C9   0.020
 QPY  plan-4  N3   0.020
 QPY  plan-4  N4   0.020
 QPY  plan-4  N5   0.020
 QPY  plan-4  N6   0.020
 QPY  plan-4  H4   0.020
 QPY  plan-4  H20  0.020
 QPY  plan-4  N7   0.020
 QPY  plan-5  C11  0.020
 QPY  plan-5  H23  0.020
 QPY  plan-5  H24  0.020
 QPY  plan-5  N7   0.020
 QPY  plan-6  C3   0.020
 QPY  plan-6  C4   0.020
 QPY  plan-6  N2   0.020
 QPY  plan-6  O3   0.020
 QPY  plan-6  H22  0.020
 QPY  plan-6  C5   0.020

