# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun May  3 19:49:16 2020
#   Inital geometry file: a 147 line input string
#   Ligand name: (~{E})-~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)n1nc(c2ccc(NC(=O)\C=C\C(=O)c3ccc(F)c(c3)C(F)(F)F)cc2)c4c(N)ncnc14
#
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
 G7W  G7W  (~{E})-~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide  ligand  57  37  .  2021-08-10  2021-08-10  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as GRAND
;

data_comp_G7W
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
 G7W  C13   C  CR16  0  -0.323    3.8758   1.3208  -0.6058
 G7W  C15   C  CR5   0   0.264    5.8585  -0.0964  -0.0927
 G7W  C20   C  CH3   0  -0.649    8.4544  -2.4280  -2.3292
 G7W  C21   C  CR56  0   0.580    8.0710   0.0408   0.1460
 G7W  C28   C  CR16  0  -0.277    3.5261  -0.8911   0.2289
 G7W  C02   C  CR6   0   0.586   -8.1975  -1.0620   0.8022
 G7W  C03   C  CR16  0  -0.390   -7.0301  -1.4731   1.4068
 G7W  C04   C  CR16  0  -0.268   -5.8319  -0.9202   0.9877
 G7W  C05   C  CR6   0   0.006   -5.8047   0.0437  -0.0177
 G7W  C06   C  C     0   0.365   -4.5478   0.6837  -0.4876
 G7W  C07   C  C1    0  -0.311   -3.2535   0.0559  -0.1216
 G7W  C08   C  C1    0  -0.347   -2.0976   0.6548  -0.4007
 G7W  C09   C  C     0   0.579   -0.7999   0.0089  -0.0653
 G7W  C11   C  CR6   0   0.376    1.6285   0.4904  -0.2982
 G7W  C12   C  CR16  0  -0.334    2.5089   1.5055  -0.6795
 G7W  C14   C  CR6   0   0.027    4.4102   0.1187  -0.1422
 G7W  N16   N  N     0  -0.272    6.3791  -1.2194  -0.5322
 G7W  N17   N  NR5   0  -0.363    7.7073  -1.1390  -0.3870
 G7W  C18   C  CH1   0  -0.119    8.5706  -2.2267  -0.8252
 G7W  C19   C  CH3   0  -0.649    8.2705  -3.4978  -0.0447
 G7W  N22   N  N     0  -0.466    9.3129   0.4521   0.4216
 G7W  C23   C  CR16  0   0.054    9.3294   1.6505   0.9656
 G7W  N24   N  N     0  -0.478    8.2984   2.4339   1.2795
 G7W  C25   C  CR6   0   0.433    7.0602   2.0105   1.0140
 G7W  N26   N  NH2   0  -0.816    6.0424   2.7958   1.3713
 G7W  C27   C  CR56  0  -0.267    6.8941   0.7615   0.3705
 G7W  C29   C  CR16  0  -0.299    2.1530  -0.7202   0.1597
 G7W  O30   O  O     0  -0.456   -0.7287  -1.0832   0.4690
 G7W  O31   O  O     0  -0.384   -4.5859   1.6864  -1.1712
 G7W  C32   C  CR16  0  -0.291   -7.0058   0.4507  -0.5994
 G7W  C33   C  CR6   0  -0.369   -8.2104  -0.1006  -0.2041
 G7W  C34   C  CT    0   1.067   -9.5068   0.3081  -0.8365
 G7W  F35   F  F     0  -0.295   -9.3329   1.2535  -1.7613
 G7W  F36   F  F     0  -0.308  -10.1093  -0.7246  -1.4375
 G7W  F37   F  F     0  -0.307  -10.3685   0.7931   0.0646
 G7W  H131  H  HCR6  0   0.277    4.5278   2.1170  -0.9439
 G7W  H201  H  HCH3  0   0.238    9.1530  -3.1996  -2.6517
 G7W  H202  H  HCH3  0   0.233    7.4492  -2.7458  -2.6058
 G7W  H203  H  HCH3  0   0.239    8.6895  -1.5116  -2.8705
 G7W  H281  H  HCR6  0   0.259    3.9137  -1.8339   0.5923
 G7W  H031  H  HCR6  0   0.305   -7.0579  -2.2163   2.1915
 G7W  H041  H  HCR6  0   0.286   -4.9252  -1.2485   1.4758
 G7W  H1    H  H     0   0.289   -3.2483  -0.9127   0.3603
 G7W  H081  H  H     0   0.293   -2.0839   1.6251  -0.8852
 G7W  H101  H  HNH1  0   0.427    0.0553   1.6584  -0.8431
 G7W  H121  H  HCR6  0   0.280    2.1205   2.4459  -1.0516
 G7W  H181  H  HCH1  0   0.264    9.5823  -1.8949  -0.5876
 G7W  H191  H  HCH3  0   0.238    8.9706  -4.2803  -0.3369
 G7W  H193  H  HCH3  0   0.240    8.3733  -3.3369   1.0285
 G7W  H192  H  HCH3  0   0.232    7.2614  -3.8582  -0.2463
 G7W  H231  H  HCR6  0   0.254   10.3077   2.0565   1.2015
 G7W  H262  H  HNH2  0   0.405    6.2302   3.6262   1.9079
 G7W  H261  H  HNH2  0   0.415    5.0911   2.4742   1.3323
 G7W  H291  H  HCR6  0   0.286    1.5091  -1.5290   0.4622
 G7W  H321  H  HCR6  0   0.291   -6.9823   1.2018  -1.3761
 G7W  N10   N  NH1   0  -0.764    0.2666   0.7650  -0.4245
 G7W  F01   F  F     0  -0.286   -9.3494  -1.6030   1.1938

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
 G7W  C23  N24   aromatic  1.332  0.020  1.332
 G7W  C23  N22   aromatic  1.316  0.020  1.316
 G7W  N24  C25   aromatic  1.335  0.020  1.335
 G7W  N22  C21   aromatic  1.337  0.020  1.337
 G7W  C25  N26   single    1.334  0.020  1.334
 G7W  C25  C27   aromatic  1.415  0.020  1.415
 G7W  C20  C18   single    1.522  0.020  1.522
 G7W  C21  C27   aromatic  1.398  0.020  1.398
 G7W  C21  N17   aromatic  1.345  0.020  1.345
 G7W  C27  C15   aromatic  1.422  0.020  1.422
 G7W  N17  C18   single    1.456  0.020  1.456
 G7W  N17  N16   aromatic  1.339  0.020  1.339
 G7W  C28  C29   aromatic  1.385  0.020  1.385
 G7W  C28  C14   aromatic  1.392  0.020  1.392
 G7W  C18  C19   single    1.521  0.020  1.521
 G7W  C15  N16   aromatic  1.313  0.020  1.313
 G7W  C15  C14   single    1.465  0.020  1.465
 G7W  C29  C11   aromatic  1.396  0.020  1.396
 G7W  C14  C13   aromatic  1.395  0.020  1.395
 G7W  C11  N10   single    1.395  0.020  1.395
 G7W  C11  C12   aromatic  1.397  0.020  1.397
 G7W  C13  C12   aromatic  1.381  0.020  1.381
 G7W  N10  C09   single    1.356  0.020  1.356
 G7W  C09  C08   single    1.488  0.020  1.488
 G7W  C09  O30   double    1.218  0.020  1.218
 G7W  C08  C07   double    1.332  0.020  1.332
 G7W  O31  C06   double    1.214  0.020  1.214
 G7W  C07  C06   single    1.484  0.020  1.484
 G7W  C06  C05   single    1.487  0.020  1.487
 G7W  C05  C04   aromatic  1.393  0.020  1.393
 G7W  C05  C32   aromatic  1.395  0.020  1.395
 G7W  C04  C03   aromatic  1.385  0.020  1.385
 G7W  C32  C33   aromatic  1.383  0.020  1.383
 G7W  C03  C02   aromatic  1.377  0.020  1.377
 G7W  C33  C02   aromatic  1.392  0.020  1.392
 G7W  C33  C34   single    1.499  0.020  1.499
 G7W  F36  C34   single    1.338  0.020  1.338
 G7W  C02  F01   single    1.332  0.020  1.332
 G7W  C34  F35   single    1.334  0.020  1.334
 G7W  C34  F37   single    1.338  0.020  1.338
 G7W  C13  H131  single    0.930  0.020  1.080
 G7W  C20  H201  single    0.970  0.020  1.090
 G7W  C20  H202  single    0.970  0.020  1.090
 G7W  C20  H203  single    0.970  0.020  1.090
 G7W  C28  H281  single    0.930  0.020  1.080
 G7W  C03  H031  single    0.930  0.020  1.080
 G7W  C04  H041  single    0.930  0.020  1.080
 G7W  C07  H1    single    0.930  0.020  1.080
 G7W  C08  H081  single    0.930  0.020  1.080
 G7W  N10  H101  single    0.860  0.020  1.020
 G7W  C12  H121  single    0.930  0.020  1.080
 G7W  C18  H181  single    0.970  0.020  1.090
 G7W  C19  H191  single    0.970  0.020  1.090
 G7W  C19  H193  single    0.970  0.020  1.090
 G7W  C19  H192  single    0.970  0.020  1.090
 G7W  C23  H231  single    0.930  0.020  1.080
 G7W  N26  H262  single    0.860  0.020  1.020
 G7W  N26  H261  single    0.860  0.020  1.020
 G7W  C29  H291  single    0.930  0.020  1.080
 G7W  C32  H321  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
 G7W  H131  C13  C14   120.44  3.000
 G7W  H131  C13  C12   118.73  3.000
 G7W  C14   C13  C12   120.81  3.000
 G7W  C27   C15  N16   109.64  3.000
 G7W  N16   C15  C14   120.40  3.000
 G7W  C27   C15  C14   129.95  3.000
 G7W  H203  C20  H202  108.54  3.000
 G7W  H203  C20  H201  108.06  3.000
 G7W  H202  C20  H201  108.04  3.000
 G7W  H203  C20  C18   111.29  3.000
 G7W  H202  C20  C18   111.09  3.000
 G7W  H201  C20  C18   109.71  3.000
 G7W  C27   C21  N22   126.17  3.000
 G7W  C27   C21  N17   106.75  3.000
 G7W  N22   C21  N17   127.08  3.000
 G7W  H281  C28  C29   118.63  3.000
 G7W  H281  C28  C14   119.60  3.000
 G7W  C29   C28  C14   121.77  3.000
 G7W  C33   C02  C03   122.10  3.000
 G7W  C33   C02  F01   119.03  3.000
 G7W  C03   C02  F01   118.87  3.000
 G7W  H031  C03  C04   121.09  3.000
 G7W  H031  C03  C02   120.13  3.000
 G7W  C04   C03  C02   118.77  3.000
 G7W  H041  C04  C05   121.31  3.000
 G7W  H041  C04  C03   117.91  3.000
 G7W  C05   C04  C03   120.78  3.000
 G7W  C32   C05  C06   118.06  3.000
 G7W  C32   C05  C04   119.07  3.000
 G7W  C06   C05  C04   122.86  3.000
 G7W  O31   C06  C07   121.03  3.000
 G7W  C07   C06  C05   118.50  3.000
 G7W  O31   C06  C05   120.46  3.000
 G7W  H1    C07  C08   119.47  3.000
 G7W  H1    C07  C06   119.52  3.000
 G7W  C08   C07  C06   121.00  3.000
 G7W  H081  C08  C09   118.56  3.000
 G7W  H081  C08  C07   120.46  3.000
 G7W  C09   C08  C07   120.98  3.000
 G7W  O30   C09  N10   124.77  3.000
 G7W  O30   C09  C08   122.63  3.000
 G7W  N10   C09  C08   112.60  3.000
 G7W  C29   C11  C12   118.87  3.000
 G7W  C12   C11  N10   116.59  3.000
 G7W  C29   C11  N10   124.54  3.000
 G7W  H121  C12  C11   119.91  3.000
 G7W  H121  C12  C13   119.29  3.000
 G7W  C11   C12  C13   120.79  3.000
 G7W  C28   C14  C15   120.81  3.000
 G7W  C15   C14  C13   121.10  3.000
 G7W  C28   C14  C13   118.05  3.000
 G7W  N17   N16  C15   107.80  3.000
 G7W  C18   N17  N16   120.72  3.000
 G7W  N16   N17  C21   111.35  3.000
 G7W  C18   N17  C21   127.90  3.000
 G7W  H181  C18  C19   108.98  3.000
 G7W  H181  C18  N17   104.90  3.000
 G7W  C19   C18  N17   110.66  3.000
 G7W  H181  C18  C20   109.04  3.000
 G7W  C19   C18  C20   112.42  3.000
 G7W  N17   C18  C20   110.54  3.000
 G7W  H192  C19  H193  108.55  3.000
 G7W  H192  C19  H191  107.91  3.000
 G7W  H193  C19  H191  108.02  3.000
 G7W  H192  C19  C18   111.34  3.000
 G7W  H193  C19  C18   111.30  3.000
 G7W  H191  C19  C18   109.61  3.000
 G7W  C23   N22  C21   112.15  3.000
 G7W  H231  C23  N24   115.24  3.000
 G7W  H231  C23  N22   116.22  3.000
 G7W  N24   C23  N22   128.53  3.000
 G7W  C25   N24  C23   118.97  3.000
 G7W  C27   C25  N26   123.49  3.000
 G7W  C27   C25  N24   118.64  3.000
 G7W  N26   C25  N24   117.87  3.000
 G7W  H261  N26  H262  117.48  3.000
 G7W  H261  N26  C25   121.56  3.000
 G7W  H262  N26  C25   119.09  3.000
 G7W  C25   C27  C21   115.42  3.000
 G7W  C21   C27  C15   104.46  3.000
 G7W  C25   C27  C15   140.01  3.000
 G7W  H291  C29  C11   121.23  3.000
 G7W  H291  C29  C28   119.06  3.000
 G7W  C11   C29  C28   119.71  3.000
 G7W  H321  C32  C33   120.11  3.000
 G7W  H321  C32  C05   118.93  3.000
 G7W  C33   C32  C05   120.96  3.000
 G7W  C34   C33  C32   121.61  3.000
 G7W  C34   C33  C02   120.09  3.000
 G7W  C32   C33  C02   118.30  3.000
 G7W  F37   C34  F36   106.99  3.000
 G7W  F37   C34  F35   107.10  3.000
 G7W  F36   C34  F35   107.11  3.000
 G7W  F37   C34  C33   111.82  3.000
 G7W  F35   C34  C33   111.90  3.000
 G7W  F36   C34  C33   111.62  3.000
 G7W  H101  N10  C11   114.60  3.000
 G7W  H101  N10  C09   116.04  3.000
 G7W  C11   N10  C09   129.37  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
 G7W  CONST_01  C29   C28  C14  C13     0.00   0.0  0
 G7W  CONST_04  C29   C11  C12  C13     0.00   0.0  0
 G7W  CONST_05  N24   C25  C27  C15   180.00   0.0  0
 G7W  CONST_06  N22   C21  C27  C15   180.00   0.0  0
 G7W  CONST_07  N17   C21  C27  C15     0.00   0.0  0
 G7W  CONST_08  C21   N17  N16  C15     0.00   0.0  0
 G7W  CONST_09  C29   C28  C14  C15   180.00   0.0  0
 G7W  CONST_10  C12   C13  C14  C15   180.00   0.0  0
 G7W  CONST_11  N24   C23  N22  C21     0.00   0.0  0
 G7W  CONST_12  N24   C25  C27  C21     0.00   0.0  0
 G7W  CONST_13  N16   C15  C27  C21     0.00   0.0  0
 G7W  CONST_14  C14   C15  C27  C21   180.00   0.0  0
 G7W  CONST_15  C12   C11  C29  C28     0.00   0.0  0
 G7W  CONST_18  C12   C13  C14  C28     0.00   0.0  0
 G7W  CONST_19  C05   C04  C03  C02     0.00   0.0  0
 G7W  CONST_20  C05   C32  C33  C02     0.00   0.0  0
 G7W  CONST_21  C32   C05  C04  C03     0.00   0.0  0
 G7W  CONST_22  C32   C33  C02  C03     0.00   0.0  0
 G7W  CONST_23  C33   C32  C05  C04     0.00   0.0  0
 G7W  CONST_24  C33   C02  C03  C04     0.00   0.0  0
 G7W  CONST_25  C14   C28  C29  C11     0.00   0.0  0
 G7W  CONST_26  C14   C13  C12  C11     0.00   0.0  0
 G7W  CONST_27  C25   C27  C15  C14     0.00   0.0  0
 G7W  CONST_28  N17   N16  C15  C14   180.00   0.0  0
 G7W  CONST_29  N22   C21  N17  N16   180.00   0.0  0
 G7W  CONST_30  C27   C21  N17  N16     0.00   0.0  0
 G7W  CONST_31  C25   C27  C15  N16   180.00   0.0  0
 G7W  CONST_32  C23   N22  C21  N17   180.00   0.0  0
 G7W  CONST_33  C25   C27  C21  N17   180.00   0.0  0
 G7W  CONST_34  C27   C15  N16  N17     0.00   0.0  0
 G7W  CONST_35  C25   N24  C23  N22     0.00   0.0  0
 G7W  CONST_36  C25   C27  C21  N22     0.00   0.0  0
 G7W  CONST_37  C27   C25  N24  C23     0.00   0.0  0
 G7W  CONST_38  C27   C21  N22  C23     0.00   0.0  0
 G7W  CONST_39  N10   C11  C12  C13   180.00   0.0  0
 G7W  CONST_40  N26   C25  C27  C15     0.00   0.0  0
 G7W  CONST_41  C18   N17  N16  C15   180.00   0.0  0
 G7W  CONST_42  N26   C25  C27  C21   180.00   0.0  0
 G7W  CONST_43  N10   C11  C29  C28   180.00   0.0  0
 G7W  CONST_44  C04   C03  C02  F01   180.00   0.0  0
 G7W  CONST_45  C32   C33  C02  F01   180.00   0.0  0
 G7W  CONST_46  C06   C05  C04  C03   180.00   0.0  0
 G7W  CONST_47  C34   C33  C02  C03   180.00   0.0  0
 G7W  CONST_48  C34   C33  C32  C05   180.00   0.0  0
 G7W  CONST_49  C33   C32  C05  C06   180.00   0.0  0
 G7W  CONST_50  N22   C21  N17  C18     0.00   0.0  0
 G7W  CONST_51  C27   C21  N17  C18   180.00   0.0  0
 G7W  CONST_52  N26   C25  N24  C23   180.00   0.0  0
 G7W  CONST_53  H281  C28  C14  C13   180.00   0.0  0
 G7W  CONST_54  H131  C13  C14  C15     0.00   0.0  0
 G7W  CONST_55  H231  C23  N22  C21   180.00   0.0  0
 G7W  CONST_56  H041  C04  C03  C02   180.00   0.0  0
 G7W  CONST_57  H321  C32  C33  C02   180.00   0.0  0
 G7W  CONST_58  H031  C03  C04  C05   180.00   0.0  0
 G7W  CONST_59  H291  C29  C11  C12   180.00   0.0  0
 G7W  CONST_60  H121  C12  C13  C14   180.00   0.0  0
 G7W  CONST_61  C29   C11  N10  C09     0.00   0.0  0
 G7W  CONST_62  C12   C11  N10  C09   180.00   0.0  0
 G7W  CONST_63  H101  N10  C11  C12     0.00   0.0  0
 G7W  CONST_64  H262  N26  C25  N24     0.00   0.0  0
 G7W  CONST_65  H261  N26  C25  N24   180.00   0.0  0
 G7W  CONST_66  C11   N10  C09  C08   180.00   0.0  0
 G7W  CONST_67  O30   C09  N10  C11     0.00   0.0  0
 G7W  Var_01    C21   N17  C18  C20  -115.06  30.0  2
 G7W  Var_02    F36   C34  C33  C02   -61.09  30.0  2
 G7W  Var_03    O31   C06  C05  C04  -165.85  30.0  2
 G7W  Var_04    C08   C07  C06  C05  -173.29  30.0  1
 G7W  Var_05    H201  C20  C18  N17   176.31  30.0  3
 G7W  Var_06    H191  C19  C18  N17  -176.13  30.0  3
 G7W  Var_07    C09   C08  C07  C06  -178.40   0.0  2
 G7W  Var_08    N10   C09  C08  C07   179.94  30.0  2

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
 G7W  plan-1  C13   0.020
 G7W  plan-1  C15   0.020
 G7W  plan-1  C28   0.020
 G7W  plan-1  C11   0.020
 G7W  plan-1  C12   0.020
 G7W  plan-1  C14   0.020
 G7W  plan-1  C29   0.020
 G7W  plan-1  H131  0.020
 G7W  plan-1  H281  0.020
 G7W  plan-1  H121  0.020
 G7W  plan-1  H291  0.020
 G7W  plan-1  N10   0.020
 G7W  plan-2  C06   0.020
 G7W  plan-2  C07   0.020
 G7W  plan-2  C08   0.020
 G7W  plan-2  C09   0.020
 G7W  plan-2  H1    0.020
 G7W  plan-2  H081  0.020
 G7W  plan-3  C02   0.020
 G7W  plan-3  C03   0.020
 G7W  plan-3  C04   0.020
 G7W  plan-3  C05   0.020
 G7W  plan-3  C06   0.020
 G7W  plan-3  C32   0.020
 G7W  plan-3  C33   0.020
 G7W  plan-3  C34   0.020
 G7W  plan-3  H031  0.020
 G7W  plan-3  H041  0.020
 G7W  plan-3  H321  0.020
 G7W  plan-3  F01   0.020
 G7W  plan-4  C15   0.020
 G7W  plan-4  C21   0.020
 G7W  plan-4  C14   0.020
 G7W  plan-4  N16   0.020
 G7W  plan-4  N17   0.020
 G7W  plan-4  C18   0.020
 G7W  plan-4  N22   0.020
 G7W  plan-4  C23   0.020
 G7W  plan-4  N24   0.020
 G7W  plan-4  C25   0.020
 G7W  plan-4  N26   0.020
 G7W  plan-4  C27   0.020
 G7W  plan-4  H231  0.020
 G7W  plan-5  C08   0.020
 G7W  plan-5  C09   0.020
 G7W  plan-5  C11   0.020
 G7W  plan-5  O30   0.020
 G7W  plan-5  H101  0.020
 G7W  plan-5  N10   0.020
 G7W  plan-6  C25   0.020
 G7W  plan-6  N26   0.020
 G7W  plan-6  H262  0.020
 G7W  plan-6  H261  0.020
 G7W  plan-7  C05   0.020
 G7W  plan-7  C06   0.020
 G7W  plan-7  C07   0.020
 G7W  plan-7  O31   0.020

