# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri May  1 09:58:58 2020
#   Inital geometry file: a 148 line input string
#   Ligand name: N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2C1=O)N5CCOCC5
#
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
 QL7  QL7  N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide  ligand  62  35  .  2021-08-20  2021-08-20  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_QL7
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
 QL7  C4   C  CH1   0   0.207   5.8639   1.3519   0.4252
 QL7  C14  C  CR56  0  -0.094   2.0459  -0.8920  -0.4008
 QL7  C6   C  CH2   0  -0.348   5.2666   0.7856  -0.8528
 QL7  C11  C  CR6   0   0.351  -0.6402  -0.2846  -0.2055
 QL7  C8   C  CH2   0  -0.278   2.8070   1.3114  -0.6220
 QL7  C9   C  CR56  0   0.106   1.6175   0.4209  -0.4485
 QL7  C10  C  CR16  0  -0.404   0.2811   0.7561  -0.3493
 QL7  C12  C  CR6   0   0.216  -0.2019  -1.6325  -0.1656
 QL7  C13  C  CR16  0  -0.326   1.1446  -1.9336  -0.2584
 QL7  C3   C  CH3   0  -0.675   7.7767   2.4320   1.6258
 QL7  C1   C  CH3   0  -0.691   8.2640   0.7817  -0.1896
 QL7  C2   C  CT    0   0.144   7.3031   1.8677   0.2882
 QL7  N7   N  NR5   0  -0.518   3.9031   0.3657  -0.6717
 QL7  C15  C  CR5   0   0.552   3.5125  -0.9282  -0.5400
 QL7  O16  O  O     0  -0.482   4.2357  -1.9104  -0.5586
 QL7  N17  N  NT    0  -0.550  -1.2067  -2.6304  -0.0433
 QL7  C18  C  CH2   0  -0.310  -1.3193  -3.4994  -1.2107
 QL7  C19  C  CH2   0  -0.193  -2.5330  -4.3935  -1.0485
 QL7  O20  O  O2    0  -0.481  -2.4634  -5.1478   0.1406
 QL7  C21  C  CH2   0  -0.193  -2.3561  -4.3110   1.2701
 QL7  C22  C  CH2   0  -0.310  -1.1358  -3.4135   1.1863
 QL7  C24  C  C     0   0.519  -2.7595   1.0107  -0.0717
 QL7  O25  O  O     0  -0.462  -2.2889   2.1335  -0.1524
 QL7  C26  C  CR5   0  -0.371  -4.1972   0.7756   0.0646
 QL7  C27  C  CR15  0  -0.023  -4.9199  -0.4279   0.1332
 QL7  N28  N  N     0  -0.287  -6.2191  -0.2494   0.2507
 QL7  N29  N  N     0  -0.361  -6.3745   1.0781   0.2623
 QL7  C30  C  CR56  0   0.639  -5.1822   1.7637   0.1527
 QL7  N31  N  N     0  -0.411  -5.1458   3.0996   0.1494
 QL7  C32  C  CR16  0  -0.042  -6.2880   3.7280   0.2526
 QL7  C33  C  CR16  0  -0.387  -7.5369   3.0779   0.3653
 QL7  C34  C  CR16  0   0.092  -7.5570   1.7192   0.3688
 QL7  F35  F  F     0  -0.373   5.8383   0.3508   1.3936
 QL7  O36  O  OH1   0  -0.678   7.1998   2.9055  -0.6730
 QL7  H1   H  HCH1  0   0.227   5.2380   2.1720   0.7967
 QL7  H2   H  HCH2  0   0.272   5.3080   1.5417  -1.6387
 QL7  H3   H  HCH2  0   0.268   5.8418  -0.0744  -1.1958
 QL7  H4   H  HCH2  0   0.274   2.7539   1.9001  -1.5426
 QL7  H5   H  HCH2  0   0.273   2.9132   2.0132   0.2102
 QL7  H6   H  HCR6  0   0.280  -0.0379   1.7853  -0.3854
 QL7  H7   H  HCR6  0   0.263   1.4840  -2.9627  -0.2256
 QL7  H8   H  HCH3  0   0.235   7.8399   1.6619   2.3933
 QL7  H9   H  HCH3  0   0.236   8.7743   2.8636   1.5180
 QL7  H10  H  HCH3  0   0.236   7.1071   3.2168   1.9825
 QL7  H11  H  HCH3  0   0.241   7.9951   0.3985  -1.1747
 QL7  H12  H  HCH3  0   0.240   9.2759   1.1868  -0.2595
 QL7  H13  H  HCH3  0   0.235   8.2986  -0.0581   0.5041
 QL7  H14  H  HCH2  0   0.258  -1.4360  -2.8875  -2.1067
 QL7  H15  H  HCH2  0   0.222  -0.4197  -4.1180  -1.3444
 QL7  H16  H  HCH2  0   0.204  -3.4433  -3.7762  -1.0614
 QL7  H17  H  HCH2  0   0.246  -2.5931  -5.0966  -1.8802
 QL7  H18  H  HCH2  0   0.203  -3.2570  -3.6882   1.3730
 QL7  H19  H  HCH2  0   0.246  -2.2895  -4.9528   2.1495
 QL7  H20  H  HCH2  0   0.221  -0.2210  -4.0229   1.2264
 QL7  H21  H  HCH2  0   0.258  -1.1241  -2.7400   2.0449
 QL7  H22  H  HNH1  0   0.410  -2.4648  -1.0295  -0.0071
 QL7  H23  H  HCR5  0   0.264  -4.5443  -1.4412   0.0971
 QL7  H24  H  HCR6  0   0.287  -6.2511   4.8108   0.2499
 QL7  H25  H  HCR6  0   0.303  -8.4529   3.6415   0.4486
 QL7  H26  H  HCR6  0   0.334  -8.4429   1.1068   0.4508
 QL7  H27  H  HOH1  0   0.453   8.0706   3.3028  -0.7812
 QL7  N23  N  NH1   0  -0.767  -2.0103  -0.1256  -0.0972

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
 QL7  C34  C33  aromatic  1.359  0.020  1.359
 QL7  C34  N29  aromatic  1.349  0.020  1.349
 QL7  C33  C32  aromatic  1.412  0.020  1.412
 QL7  N28  N29  aromatic  1.337  0.020  1.337
 QL7  N28  C27  aromatic  1.317  0.020  1.317
 QL7  N29  C30  aromatic  1.380  0.020  1.380
 QL7  C32  N31  aromatic  1.308  0.020  1.308
 QL7  C27  C26  aromatic  1.405  0.020  1.405
 QL7  C30  N31  aromatic  1.336  0.020  1.336
 QL7  C30  C26  aromatic  1.398  0.020  1.398
 QL7  C26  C24  single    1.463  0.020  1.463
 QL7  C24  O25  double    1.220  0.020  1.220
 QL7  C24  N23  single    1.361  0.020  1.361
 QL7  C19  O20  single    1.410  0.020  1.410
 QL7  C19  C18  single    1.516  0.020  1.516
 QL7  N23  C11  single    1.384  0.020  1.384
 QL7  O20  C21  single    1.410  0.020  1.410
 QL7  C18  N17  single    1.460  0.020  1.460
 QL7  C21  C22  single    1.517  0.020  1.517
 QL7  N17  C12  single    1.421  0.020  1.421
 QL7  N17  C22  single    1.459  0.020  1.459
 QL7  C11  C12  aromatic  1.418  0.020  1.418
 QL7  C11  C10  aromatic  1.397  0.020  1.397
 QL7  C12  C13  aromatic  1.383  0.020  1.383
 QL7  C10  C9   aromatic  1.381  0.020  1.381
 QL7  C13  C14  aromatic  1.385  0.020  1.385
 QL7  C9   C14  aromatic  1.382  0.020  1.382
 QL7  C9   C8   single    1.496  0.020  1.496
 QL7  C14  C15  single    1.474  0.020  1.474
 QL7  C8   N7   single    1.448  0.020  1.448
 QL7  C15  N7   single    1.358  0.020  1.358
 QL7  C15  O16  double    1.220  0.020  1.220
 QL7  N7   C6   single    1.438  0.020  1.438
 QL7  C6   C4   single    1.520  0.020  1.520
 QL7  C4   F35  single    1.393  0.020  1.393
 QL7  C4   C2   single    1.535  0.020  1.535
 QL7  O36  C2   single    1.418  0.020  1.418
 QL7  C2   C3   single    1.527  0.020  1.527
 QL7  C2   C1   single    1.527  0.020  1.527
 QL7  C4   H1   single    0.970  0.020  1.090
 QL7  C6   H2   single    0.970  0.020  1.090
 QL7  C6   H3   single    0.970  0.020  1.090
 QL7  C8   H4   single    0.970  0.020  1.090
 QL7  C8   H5   single    0.970  0.020  1.090
 QL7  C10  H6   single    0.930  0.020  1.080
 QL7  C13  H7   single    0.930  0.020  1.080
 QL7  C3   H8   single    0.970  0.020  1.090
 QL7  C3   H9   single    0.970  0.020  1.090
 QL7  C3   H10  single    0.970  0.020  1.090
 QL7  C1   H11  single    0.970  0.020  1.090
 QL7  C1   H12  single    0.970  0.020  1.090
 QL7  C1   H13  single    0.970  0.020  1.090
 QL7  C18  H14  single    0.970  0.020  1.090
 QL7  C18  H15  single    0.970  0.020  1.090
 QL7  C19  H16  single    0.970  0.020  1.090
 QL7  C19  H17  single    0.970  0.020  1.090
 QL7  C21  H18  single    0.970  0.020  1.090
 QL7  C21  H19  single    0.970  0.020  1.090
 QL7  C22  H20  single    0.970  0.020  1.090
 QL7  C22  H21  single    0.970  0.020  1.090
 QL7  N23  H22  single    0.860  0.020  1.020
 QL7  C27  H23  single    0.930  0.020  1.080
 QL7  C32  H24  single    0.930  0.020  1.080
 QL7  C33  H25  single    0.930  0.020  1.080
 QL7  C34  H26  single    0.930  0.020  1.080
 QL7  O36  H27  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
 QL7  H1   C4   F35  106.95  3.000
 QL7  H1   C4   C2   108.30  3.000
 QL7  F35  C4   C2   108.71  3.000
 QL7  H1   C4   C6   109.83  3.000
 QL7  C2   C4   C6   114.75  3.000
 QL7  F35  C4   C6   108.03  3.000
 QL7  C15  C14  C13  129.72  3.000
 QL7  C15  C14  C9   109.19  3.000
 QL7  C13  C14  C9   121.09  3.000
 QL7  H3   C6   H2   107.46  3.000
 QL7  H3   C6   N7   108.03  3.000
 QL7  H2   C6   N7   109.20  3.000
 QL7  H3   C6   C4   110.56  3.000
 QL7  H2   C6   C4   109.42  3.000
 QL7  N7   C6   C4   112.05  3.000
 QL7  N23  C11  C12  114.41  3.000
 QL7  C12  C11  C10  120.47  3.000
 QL7  N23  C11  C10  125.12  3.000
 QL7  H5   C8   H4   107.44  3.000
 QL7  H5   C8   N7   111.81  3.000
 QL7  H4   C8   N7   111.05  3.000
 QL7  H5   C8   C9   111.77  3.000
 QL7  H4   C8   C9   112.29  3.000
 QL7  N7   C8   C9   102.54  3.000
 QL7  C10  C9   C8   129.28  3.000
 QL7  C8   C9   C14  108.84  3.000
 QL7  C10  C9   C14  121.87  3.000
 QL7  H6   C10  C9   121.03  3.000
 QL7  H6   C10  C11  121.29  3.000
 QL7  C9   C10  C11  117.68  3.000
 QL7  N17  C12  C13  122.76  3.000
 QL7  C13  C12  C11  120.41  3.000
 QL7  N17  C12  C11  116.83  3.000
 QL7  H7   C13  C12  120.63  3.000
 QL7  H7   C13  C14  120.89  3.000
 QL7  C12  C13  C14  118.48  3.000
 QL7  H10  C3   H9   107.97  3.000
 QL7  H10  C3   H8   108.28  3.000
 QL7  H9   C3   H8   107.21  3.000
 QL7  H10  C3   C2   111.20  3.000
 QL7  H9   C3   C2   110.05  3.000
 QL7  H8   C3   C2   111.96  3.000
 QL7  H13  C1   H12  107.28  3.000
 QL7  H13  C1   H11  108.18  3.000
 QL7  H12  C1   H11  107.51  3.000
 QL7  H13  C1   C2   111.65  3.000
 QL7  H12  C1   C2   109.83  3.000
 QL7  H11  C1   C2   112.17  3.000
 QL7  O36  C2   C1   110.75  3.000
 QL7  C1   C2   C3   109.99  3.000
 QL7  O36  C2   C3   110.23  3.000
 QL7  C1   C2   C4   112.27  3.000
 QL7  C3   C2   C4   109.68  3.000
 QL7  O36  C2   C4   103.77  3.000
 QL7  C15  N7   C8   113.65  3.000
 QL7  C15  N7   C6   124.27  3.000
 QL7  C8   N7   C6   122.08  3.000
 QL7  O16  C15  N7   126.53  3.000
 QL7  O16  C15  C14  127.68  3.000
 QL7  N7   C15  C14  105.78  3.000
 QL7  C22  N17  C18  110.98  3.000
 QL7  C22  N17  C12  114.51  3.000
 QL7  C18  N17  C12  113.80  3.000
 QL7  H15  C18  H14  107.64  3.000
 QL7  H15  C18  C19  109.64  3.000
 QL7  H14  C18  C19  109.44  3.000
 QL7  H15  C18  N17  111.65  3.000
 QL7  H14  C18  N17  109.34  3.000
 QL7  C19  C18  N17  109.10  3.000
 QL7  H17  C19  H16  107.88  3.000
 QL7  H17  C19  O20  107.52  3.000
 QL7  H16  C19  O20  110.55  3.000
 QL7  H17  C19  C18  110.04  3.000
 QL7  H16  C19  C18  109.29  3.000
 QL7  O20  C19  C18  111.48  3.000
 QL7  C21  O20  C19  111.22  3.000
 QL7  H19  C21  H18  107.93  3.000
 QL7  H19  C21  C22  110.09  3.000
 QL7  H18  C21  C22  109.20  3.000
 QL7  H19  C21  O20  107.54  3.000
 QL7  H18  C21  O20  110.40  3.000
 QL7  C22  C21  O20  111.60  3.000
 QL7  H21  C22  H20  107.71  3.000
 QL7  H21  C22  C21  109.29  3.000
 QL7  H20  C22  C21  109.82  3.000
 QL7  H21  C22  N17  109.40  3.000
 QL7  H20  C22  N17  111.62  3.000
 QL7  C21  C22  N17  108.96  3.000
 QL7  C26  C24  O25  122.21  3.000
 QL7  O25  C24  N23  123.68  3.000
 QL7  C26  C24  N23  114.10  3.000
 QL7  C30  C26  C27  103.88  3.000
 QL7  C30  C26  C24  125.77  3.000
 QL7  C27  C26  C24  130.35  3.000
 QL7  H23  C27  N28  118.22  3.000
 QL7  H23  C27  C26  128.48  3.000
 QL7  N28  C27  C26  113.31  3.000
 QL7  N29  N28  C27  104.48  3.000
 QL7  C34  N29  C30  121.83  3.000
 QL7  C30  N29  N28  113.10  3.000
 QL7  C34  N29  N28  125.06  3.000
 QL7  N31  C30  N29  121.36  3.000
 QL7  N31  C30  C26  133.41  3.000
 QL7  N29  C30  C26  105.22  3.000
 QL7  C32  N31  C30  117.15  3.000
 QL7  H24  C32  C33  119.37  3.000
 QL7  H24  C32  N31  116.76  3.000
 QL7  C33  C32  N31  123.88  3.000
 QL7  H25  C33  C34  120.64  3.000
 QL7  H25  C33  C32  121.10  3.000
 QL7  C34  C33  C32  118.26  3.000
 QL7  H26  C34  C33  125.40  3.000
 QL7  H26  C34  N29  117.09  3.000
 QL7  C33  C34  N29  117.51  3.000
 QL7  H27  O36  C2   108.18  3.000
 QL7  H22  N23  C24  119.66  3.000
 QL7  H22  N23  C11  110.35  3.000
 QL7  C24  N23  C11  129.98  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
 QL7  CONST_01  C11  C12  C13  C14     0.00   0.0  0
 QL7  CONST_02  C11  C10  C9   C14     0.00   0.0  0
 QL7  CONST_03  C12  C11  C10  C9      0.00   0.0  0
 QL7  CONST_04  C12  C13  C14  C9      0.00   0.0  0
 QL7  CONST_05  C13  C12  C11  C10     0.00   0.0  0
 QL7  CONST_06  C13  C14  C9   C10     0.00   0.0  0
 QL7  CONST_07  N29  N28  C27  C26     0.00   0.0  0
 QL7  CONST_08  C34  N29  C30  C26   180.00   0.0  0
 QL7  CONST_09  N28  N29  C30  C26     0.00   0.0  0
 QL7  CONST_10  C32  N31  C30  C26   180.00   0.0  0
 QL7  CONST_11  C34  N29  N28  C27   180.00   0.0  0
 QL7  CONST_12  C30  N29  N28  C27     0.00   0.0  0
 QL7  CONST_13  N29  C30  C26  C27     0.00   0.0  0
 QL7  CONST_14  N31  C30  C26  C27   180.00   0.0  0
 QL7  CONST_15  C33  C34  N29  N28   180.00   0.0  0
 QL7  CONST_16  N31  C30  N29  N28   180.00   0.0  0
 QL7  CONST_17  C30  C26  C27  N28     0.00   0.0  0
 QL7  CONST_18  C32  C33  C34  N29     0.00   0.0  0
 QL7  CONST_19  C32  N31  C30  N29     0.00   0.0  0
 QL7  CONST_20  C33  C34  N29  C30     0.00   0.0  0
 QL7  CONST_21  C33  C32  N31  C30     0.00   0.0  0
 QL7  CONST_22  C34  C33  C32  N31     0.00   0.0  0
 QL7  CONST_23  C34  N29  C30  N31     0.00   0.0  0
 QL7  CONST_24  N17  C12  C13  C14   180.00   0.0  0
 QL7  CONST_25  N17  C12  C11  C10   180.00   0.0  0
 QL7  CONST_26  C8   N7   C15  C14     0.00   0.0  0
 QL7  CONST_27  N23  C11  C10  C9    180.00   0.0  0
 QL7  CONST_28  N23  C11  C12  C13   180.00   0.0  0
 QL7  CONST_29  N23  C11  C12  N17     0.00   0.0  0
 QL7  CONST_30  N28  C27  C26  C24   180.00   0.0  0
 QL7  CONST_31  N29  C30  C26  C24   180.00   0.0  0
 QL7  CONST_32  N31  C30  C26  C24     0.00   0.0  0
 QL7  CONST_33  C6   N7   C15  C14   180.00   0.0  0
 QL7  CONST_34  O16  C15  N7   C8    180.00   0.0  0
 QL7  CONST_35  H6   C10  C9   C14   180.00   0.0  0
 QL7  CONST_36  H7   C13  C12  C11   180.00   0.0  0
 QL7  CONST_37  H26  C34  N29  N28     0.00   0.0  0
 QL7  CONST_38  H25  C33  C34  N29   180.00   0.0  0
 QL7  CONST_39  H23  C27  N28  N29   180.00   0.0  0
 QL7  CONST_40  H24  C32  N31  C30   180.00   0.0  0
 QL7  CONST_41  C26  C24  N23  C11   180.00   0.0  0
 QL7  CONST_42  C24  N23  C11  C10     0.00   0.0  0
 QL7  CONST_43  C24  N23  C11  C12   180.00   0.0  0
 QL7  CONST_44  O16  C15  N7   C6      0.00   0.0  0
 QL7  CONST_45  H22  N23  C11  C10   180.00   0.0  0
 QL7  CONST_46  O25  C24  N23  C11     0.00   0.0  0
 QL7  Var_01    C18  N17  C12  C11   114.41  30.0  2
 QL7  Var_02    C19  C18  N17  C12  -172.43  30.0  1
 QL7  Var_03    C21  C22  N17  C12   172.88  30.0  1
 QL7  Var_04    O20  C19  C18  N17   -56.94  30.0  1
 QL7  Var_05    O20  C21  C22  N17    56.93  30.0  1
 QL7  Var_06    C22  C21  O20  C19   -58.20  30.0  1
 QL7  Var_07    H4   C8   C9   C14   119.62  30.0  1
 QL7  Var_08    C8   N7   C6   C4     77.19  30.0  2
 QL7  Var_09    C27  C26  C24  N23    -2.09  30.0  2
 QL7  Var_10    H8   C3   C2   C4     64.78  30.0  3
 QL7  Var_11    H11  C1   C2   C4     61.29  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
 QL7  chir_01  C4  C6  F35  C2  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
 QL7  plan-1  C24  0.020
 QL7  plan-1  C26  0.020
 QL7  plan-1  C27  0.020
 QL7  plan-1  N28  0.020
 QL7  plan-1  N29  0.020
 QL7  plan-1  C30  0.020
 QL7  plan-1  N31  0.020
 QL7  plan-1  C32  0.020
 QL7  plan-1  C33  0.020
 QL7  plan-1  C34  0.020
 QL7  plan-1  H23  0.020
 QL7  plan-1  H24  0.020
 QL7  plan-1  H25  0.020
 QL7  plan-1  H26  0.020
 QL7  plan-2  C11  0.020
 QL7  plan-2  C24  0.020
 QL7  plan-2  O25  0.020
 QL7  plan-2  C26  0.020
 QL7  plan-2  H22  0.020
 QL7  plan-2  N23  0.020
 QL7  plan-3  C14  0.020
 QL7  plan-3  C6   0.020
 QL7  plan-3  C11  0.020
 QL7  plan-3  C8   0.020
 QL7  plan-3  C9   0.020
 QL7  plan-3  C10  0.020
 QL7  plan-3  C12  0.020
 QL7  plan-3  C13  0.020
 QL7  plan-3  N7   0.020
 QL7  plan-3  C15  0.020
 QL7  plan-3  O16  0.020
 QL7  plan-3  N17  0.020
 QL7  plan-3  H6   0.020
 QL7  plan-3  H7   0.020
 QL7  plan-3  N23  0.020

