# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Apr 14 03:27:35 2020
#   Inital geometry file: a 156 line input string
#   Ligand name: 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(c4)C(=O)NC)cc3)ncc2F)c1
#
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
 7G8  7G8  4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide  ligand  61  37  .  2021-08-05  2021-08-05  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_7G8
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
 7G8  C4   C  CR6   0   0.398   -6.6519  -1.3664   0.8114
 7G8  C5   C  CR16  0  -0.366   -5.9669  -1.8589   1.9274
 7G8  C6   C  CR16  0  -0.234   -4.6163  -1.6091   2.0638
 7G8  C8   C  C     0   0.551   -8.9284  -1.3134  -0.2141
 7G8  C13  C  CR6   0   0.310   -2.4196   1.5431  -2.3447
 7G8  C20  C  CR6   0   0.374    1.6530   1.1285   0.6340
 7G8  C21  C  CR16  0  -0.357    2.2702   0.6749   1.8072
 7G8  C22  C  CR16  0  -0.286    3.6052   0.9273   2.0579
 7G8  C24  C  CR16  0  -0.286    3.7601   2.0993  -0.0310
 7G8  C28  C  CR16  0  -0.390    7.9429   1.4126   1.3045
 7G8  O34  O  O     0  -0.488    6.0683  -2.6147  -0.9160
 7G8  N35  N  NH1   0  -0.633    8.3008  -2.9526  -0.9213
 7G8  C36  C  CH3   0  -0.515    8.2550  -4.2291  -1.5900
 7G8  C31  C  CR6   0   0.124    7.4569  -0.9380   0.0546
 7G8  N30  N  N     0  -0.452    8.7177  -0.6197   0.3182
 7G8  C29  C  CR16  0  -0.060    8.9436   0.5355   0.9309
 7G8  C32  C  CR16  0  -0.399    6.3714  -0.1394   0.3793
 7G8  C27  C  CR6   0   0.474    6.6247   1.0673   1.0219
 7G8  C23  C  CR6   0   0.271    4.3481   1.6449   1.1339
 7G8  C25  C  CR16  0  -0.316    2.4185   1.8495  -0.2859
 7G8  C16  C  CR6   0   0.628   -0.5801   1.0938  -0.5116
 7G8  N15  N  N     0  -0.483   -0.2007   1.7797  -1.5747
 7G8  C14  C  CR16  0  -0.139   -1.1472   1.9984  -2.4945
 7G8  F18  F  F     0  -0.305   -3.3657   1.7674  -3.2729
 7G8  N17  N  N     0  -0.527   -1.8046   0.6067  -0.2793
 7G8  C12  C  CR6   0   0.454   -2.7444   0.8156  -1.1798
 7G8  C2   C  CR6   0   0.410   -4.5870  -0.3858   0.0098
 7G8  C3   C  CR16  0  -0.465   -5.9570  -0.6314  -0.1416
 7G8  C1   C  CR16  0  -0.333   -3.9055  -0.8768   1.1215
 7G8  N7   N  NH1   0  -0.750   -8.0147  -1.6558   0.7349
 7G8  O10  O  O     0  -0.467   -8.6574  -0.6772  -1.2158
 7G8  C9   C  CH2   0  -0.586  -10.3305  -1.7870   0.1060
 7G8  C37  C  CH3   0  -0.658  -11.2932  -1.6617  -1.0609
 7G8  H1   H  HCR6  0   0.269   -6.4947  -2.4319   2.6802
 7G8  H2   H  HCR6  0   0.261   -4.0935  -1.9949   2.9292
 7G8  H3   H  HCR6  0   0.277    1.6951   0.1149   2.5352
 7G8  H4   H  HCR6  0   0.280    4.0604   0.5685   2.9721
 7G8  H5   H  HCR6  0   0.276    4.3429   2.6591  -0.7518
 7G8  H6   H  HCR6  0   0.289    8.1825   2.3425   1.8022
 7G8  H7   H  HNH1  0   0.408    9.1897  -2.5562  -0.6596
 7G8  H8   H  HCH3  0   0.240    7.8043  -4.1479  -2.5799
 7G8  H9   H  HCH3  0   0.253    9.2712  -4.5941  -1.7049
 7G8  H10  H  HCH3  0   0.240    7.6880  -4.9636  -1.0171
 7G8  H11  H  HCR6  0   0.276    9.9780   0.7823   1.1385
 7G8  H12  H  HCR6  0   0.293    5.3707  -0.4641   0.1325
 7G8  H13  H  HCR6  0   0.294    1.9751   2.2156  -1.1965
 7G8  H14  H  HNH1  0   0.412   -0.0976   0.2920   1.2446
 7G8  H15  H  HCR6  0   0.292   -0.8649   2.5593  -3.3788
 7G8  H16  H  HNH1  0   0.422   -4.6437   0.5908  -1.7652
 7G8  H17  H  HCR6  0   0.293   -6.4673  -0.2414  -1.0085
 7G8  H18  H  HCR6  0   0.289   -2.8532  -0.6962   1.2570
 7G8  H19  H  HNH1  0   0.416   -8.3718  -2.1894   1.5134
 7G8  H20  H  HCH2  0   0.266  -10.2880  -2.8214   0.4564
 7G8  H21  H  HCH2  0   0.278  -10.6905  -1.2027   0.9587
 7G8  H22  H  HCH3  0   0.237  -12.2759  -2.0297  -0.7688
 7G8  H23  H  HCH3  0   0.231  -11.4085  -0.6275  -1.3817
 7G8  H24  H  HCH3  0   0.230  -10.9625  -2.2455  -1.9197
 7G8  N11  N  NH1   0  -0.784   -4.0059   0.3566  -1.0195
 7G8  N19  N  NH1   0  -0.775    0.3088   0.8182   0.4863
 7G8  O26  O  O2    0  -0.501    5.6717   1.9394   1.3962
 7G8  C33  C  C     0   0.539    7.2045  -2.2496  -0.6414

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
 7G8  C36  N35  single    1.442  0.020  1.442
 7G8  O34  C33  double    1.225  0.020  1.225
 7G8  N35  C33  single    1.332  0.020  1.332
 7G8  C33  C31  single    1.506  0.020  1.506
 7G8  C31  C32  aromatic  1.386  0.020  1.386
 7G8  C31  N30  aromatic  1.327  0.020  1.327
 7G8  C32  C27  aromatic  1.390  0.020  1.390
 7G8  N30  C29  aromatic  1.327  0.020  1.327
 7G8  C27  O26  single    1.345  0.020  1.345
 7G8  C27  C28  aromatic  1.392  0.020  1.392
 7G8  O26  C23  single    1.381  0.020  1.381
 7G8  C29  C28  aromatic  1.382  0.020  1.382
 7G8  C24  C23  aromatic  1.382  0.020  1.382
 7G8  C24  C25  aromatic  1.388  0.020  1.388
 7G8  C23  C22  aromatic  1.386  0.020  1.386
 7G8  C25  C20  aromatic  1.397  0.020  1.397
 7G8  C22  C21  aromatic  1.382  0.020  1.382
 7G8  C20  C21  aromatic  1.401  0.020  1.401
 7G8  C20  N19  single    1.387  0.020  1.387
 7G8  N19  C16  single    1.364  0.020  1.364
 7G8  C16  N15  aromatic  1.321  0.020  1.321
 7G8  C16  N17  aromatic  1.338  0.020  1.338
 7G8  N15  C14  aromatic  1.338  0.020  1.338
 7G8  O10  C8   double    1.217  0.020  1.217
 7G8  C37  C9   single    1.518  0.020  1.518
 7G8  N17  C12  aromatic  1.318  0.020  1.318
 7G8  C6   C5   aromatic  1.380  0.020  1.380
 7G8  C6   C1   aromatic  1.389  0.020  1.389
 7G8  C5   C4   aromatic  1.399  0.020  1.399
 7G8  C8   C9   single    1.514  0.020  1.514
 7G8  C8   N7   single    1.361  0.020  1.361
 7G8  C14  C13  aromatic  1.360  0.020  1.360
 7G8  C1   C2   aromatic  1.393  0.020  1.393
 7G8  C12  C13  aromatic  1.411  0.020  1.411
 7G8  C12  N11  single    1.352  0.020  1.352
 7G8  C4   N7   single    1.395  0.020  1.395
 7G8  C4   C3   aromatic  1.390  0.020  1.390
 7G8  C13  F18  single    1.344  0.020  1.344
 7G8  C2   C3   aromatic  1.400  0.020  1.400
 7G8  C2   N11  single    1.396  0.020  1.396
 7G8  C5   H1   single    0.930  0.020  1.080
 7G8  C6   H2   single    0.930  0.020  1.080
 7G8  C21  H3   single    0.930  0.020  1.080
 7G8  C22  H4   single    0.930  0.020  1.080
 7G8  C24  H5   single    0.930  0.020  1.080
 7G8  C28  H6   single    0.930  0.020  1.080
 7G8  N35  H7   single    0.860  0.020  1.020
 7G8  C36  H8   single    0.970  0.020  1.090
 7G8  C36  H9   single    0.970  0.020  1.090
 7G8  C36  H10  single    0.970  0.020  1.090
 7G8  C29  H11  single    0.930  0.020  1.080
 7G8  C32  H12  single    0.930  0.020  1.080
 7G8  C25  H13  single    0.930  0.020  1.080
 7G8  N19  H14  single    0.860  0.020  1.020
 7G8  C14  H15  single    0.930  0.020  1.080
 7G8  N11  H16  single    0.860  0.020  1.020
 7G8  C3   H17  single    0.930  0.020  1.080
 7G8  C1   H18  single    0.930  0.020  1.080
 7G8  N7   H19  single    0.860  0.020  1.020
 7G8  C9   H20  single    0.970  0.020  1.090
 7G8  C9   H21  single    0.970  0.020  1.090
 7G8  C37  H22  single    0.970  0.020  1.090
 7G8  C37  H23  single    0.970  0.020  1.090
 7G8  C37  H24  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
 7G8  N7   C4   C3   124.09  3.000
 7G8  C3   C4   C5   119.23  3.000
 7G8  N7   C4   C5   116.67  3.000
 7G8  H1   C5   C6   120.25  3.000
 7G8  H1   C5   C4   120.13  3.000
 7G8  C6   C5   C4   119.62  3.000
 7G8  H2   C6   C1   118.89  3.000
 7G8  H2   C6   C5   119.16  3.000
 7G8  C1   C6   C5   121.94  3.000
 7G8  C9   C8   O10  122.94  3.000
 7G8  C9   C8   N7   113.29  3.000
 7G8  O10  C8   N7   123.77  3.000
 7G8  C12  C13  F18  119.61  3.000
 7G8  F18  C13  C14  121.79  3.000
 7G8  C12  C13  C14  118.61  3.000
 7G8  N19  C20  C25  125.18  3.000
 7G8  N19  C20  C21  116.33  3.000
 7G8  C25  C20  C21  118.49  3.000
 7G8  H3   C21  C22  119.03  3.000
 7G8  H3   C21  C20  119.74  3.000
 7G8  C22  C21  C20  121.23  3.000
 7G8  H4   C22  C23  120.62  3.000
 7G8  H4   C22  C21  119.93  3.000
 7G8  C23  C22  C21  119.45  3.000
 7G8  H5   C24  C25  119.40  3.000
 7G8  H5   C24  C23  120.14  3.000
 7G8  C25  C24  C23  120.45  3.000
 7G8  H6   C28  C27  121.11  3.000
 7G8  H6   C28  C29  120.63  3.000
 7G8  C27  C28  C29  118.26  3.000
 7G8  H7   N35  C36  119.78  3.000
 7G8  H7   N35  C33  117.63  3.000
 7G8  C36  N35  C33  122.58  3.000
 7G8  H10  C36  H9   108.40  3.000
 7G8  H10  C36  H8   108.19  3.000
 7G8  H9   C36  H8   108.41  3.000
 7G8  H10  C36  N35  111.67  3.000
 7G8  H9   C36  N35  108.48  3.000
 7G8  H8   C36  N35  111.60  3.000
 7G8  C32  C31  N30  124.01  3.000
 7G8  N30  C31  C33  117.39  3.000
 7G8  C32  C31  C33  118.60  3.000
 7G8  C29  N30  C31  117.54  3.000
 7G8  H11  C29  N30  116.70  3.000
 7G8  H11  C29  C28  119.66  3.000
 7G8  N30  C29  C28  123.64  3.000
 7G8  H12  C32  C27  122.35  3.000
 7G8  H12  C32  C31  119.90  3.000
 7G8  C27  C32  C31  117.75  3.000
 7G8  O26  C27  C32  124.22  3.000
 7G8  O26  C27  C28  116.98  3.000
 7G8  C32  C27  C28  118.80  3.000
 7G8  O26  C23  C24  119.85  3.000
 7G8  C24  C23  C22  120.28  3.000
 7G8  O26  C23  C22  119.84  3.000
 7G8  H13  C25  C24  119.47  3.000
 7G8  H13  C25  C20  120.43  3.000
 7G8  C24  C25  C20  120.10  3.000
 7G8  N17  C16  N15  126.27  3.000
 7G8  N17  C16  N19  113.31  3.000
 7G8  N15  C16  N19  120.42  3.000
 7G8  C14  N15  C16  115.79  3.000
 7G8  H15  C14  N15  117.45  3.000
 7G8  H15  C14  C13  120.44  3.000
 7G8  N15  C14  C13  122.12  3.000
 7G8  C12  N17  C16  118.43  3.000
 7G8  N11  C12  N17  122.04  3.000
 7G8  N11  C12  C13  119.18  3.000
 7G8  N17  C12  C13  118.78  3.000
 7G8  C1   C2   C3   120.20  3.000
 7G8  C3   C2   N11  114.89  3.000
 7G8  C1   C2   N11  124.90  3.000
 7G8  H17  C3   C2   119.10  3.000
 7G8  H17  C3   C4   120.37  3.000
 7G8  C2   C3   C4   120.53  3.000
 7G8  H18  C1   C2   121.30  3.000
 7G8  H18  C1   C6   120.22  3.000
 7G8  C2   C1   C6   118.47  3.000
 7G8  H19  N7   C8   115.69  3.000
 7G8  H19  N7   C4   114.39  3.000
 7G8  C8   N7   C4   129.91  3.000
 7G8  H21  C9   H20  105.56  3.000
 7G8  H21  C9   C37  110.25  3.000
 7G8  H20  C9   C37  110.44  3.000
 7G8  H21  C9   C8   107.59  3.000
 7G8  H20  C9   C8   109.14  3.000
 7G8  C37  C9   C8   113.51  3.000
 7G8  H24  C37  H23  107.98  3.000
 7G8  H24  C37  H22  107.70  3.000
 7G8  H23  C37  H22  107.72  3.000
 7G8  H24  C37  C9   111.66  3.000
 7G8  H23  C37  C9   111.84  3.000
 7G8  H22  C37  C9   109.77  3.000
 7G8  H16  N11  C2   113.92  3.000
 7G8  H16  N11  C12  115.05  3.000
 7G8  C2   N11  C12  131.03  3.000
 7G8  H14  N19  C16  113.12  3.000
 7G8  H14  N19  C20  115.28  3.000
 7G8  C16  N19  C20  131.60  3.000
 7G8  C23  O26  C27  119.20  3.000
 7G8  C31  C33  N35  114.76  3.000
 7G8  C31  C33  O34  121.25  3.000
 7G8  N35  C33  O34  124.00  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
 7G8  CONST_01  C1   C6   C5   C4      0.00   0.0  0
 7G8  CONST_02  C1   C2   C3   C4      0.00   0.0  0
 7G8  CONST_03  C2   C1   C6   C5      0.00   0.0  0
 7G8  CONST_04  C2   C3   C4   C5      0.00   0.0  0
 7G8  CONST_05  C3   C4   C5   C6      0.00   0.0  0
 7G8  CONST_06  C3   C2   C1   C6      0.00   0.0  0
 7G8  CONST_07  C16  N15  C14  C13     0.00   0.0  0
 7G8  CONST_08  C16  N17  C12  C13     0.00   0.0  0
 7G8  CONST_09  C23  C24  C25  C20     0.00   0.0  0
 7G8  CONST_10  C23  C22  C21  C20     0.00   0.0  0
 7G8  CONST_11  C24  C23  C22  C21     0.00   0.0  0
 7G8  CONST_12  C24  C25  C20  C21     0.00   0.0  0
 7G8  CONST_13  C25  C24  C23  C22     0.00   0.0  0
 7G8  CONST_14  C25  C20  C21  C22     0.00   0.0  0
 7G8  CONST_15  C31  C32  C27  C28     0.00   0.0  0
 7G8  CONST_16  C31  N30  C29  C28     0.00   0.0  0
 7G8  CONST_17  C27  C32  C31  N30     0.00   0.0  0
 7G8  CONST_18  C27  C28  C29  N30     0.00   0.0  0
 7G8  CONST_19  C32  C31  N30  C29     0.00   0.0  0
 7G8  CONST_20  C32  C27  C28  C29     0.00   0.0  0
 7G8  CONST_21  C12  N17  C16  N15     0.00   0.0  0
 7G8  CONST_22  C12  C13  C14  N15     0.00   0.0  0
 7G8  CONST_23  N17  C16  N15  C14     0.00   0.0  0
 7G8  CONST_24  N17  C12  C13  C14     0.00   0.0  0
 7G8  CONST_25  N11  C2   C3   C4    180.00   0.0  0
 7G8  CONST_26  N7   C4   C5   C6    180.00   0.0  0
 7G8  CONST_27  N11  C2   C1   C6    180.00   0.0  0
 7G8  CONST_28  O26  C23  C22  C21   180.00   0.0  0
 7G8  CONST_29  N19  C20  C21  C22   180.00   0.0  0
 7G8  CONST_30  N19  C20  C25  C24   180.00   0.0  0
 7G8  CONST_31  C27  C32  C31  C33   180.00   0.0  0
 7G8  CONST_32  C29  N30  C31  C33   180.00   0.0  0
 7G8  CONST_33  O26  C27  C32  C31   180.00   0.0  0
 7G8  CONST_34  O26  C27  C28  C29   180.00   0.0  0
 7G8  CONST_35  C25  C24  C23  O26   180.00   0.0  0
 7G8  CONST_36  C14  N15  C16  N19   180.00   0.0  0
 7G8  CONST_37  C12  N17  C16  N19   180.00   0.0  0
 7G8  CONST_38  N11  C12  N17  C16   180.00   0.0  0
 7G8  CONST_39  F18  C13  C14  N15   180.00   0.0  0
 7G8  CONST_40  N11  C12  C13  C14   180.00   0.0  0
 7G8  CONST_41  N17  C12  C13  F18   180.00   0.0  0
 7G8  CONST_42  N7   C4   C3   C2    180.00   0.0  0
 7G8  CONST_43  H2   C6   C5   C4    180.00   0.0  0
 7G8  CONST_44  H18  C1   C6   C5    180.00   0.0  0
 7G8  CONST_45  H17  C3   C4   C5    180.00   0.0  0
 7G8  CONST_46  H5   C24  C25  C20   180.00   0.0  0
 7G8  CONST_47  H4   C22  C21  C20   180.00   0.0  0
 7G8  CONST_48  H13  C25  C20  C21   180.00   0.0  0
 7G8  CONST_49  H12  C32  C27  C28   180.00   0.0  0
 7G8  CONST_50  H11  C29  N30  C31   180.00   0.0  0
 7G8  CONST_51  H6   C28  C29  N30   180.00   0.0  0
 7G8  CONST_52  H3   C21  C22  C23   180.00   0.0  0
 7G8  CONST_53  H15  C14  N15  C16   180.00   0.0  0
 7G8  CONST_54  H1   C5   C4   C3    180.00   0.0  0
 7G8  CONST_55  C8   N7   C4   C5    180.00   0.0  0
 7G8  CONST_56  C3   C4   N7   C8      0.00   0.0  0
 7G8  CONST_57  H19  N7   C4   C5      0.00   0.0  0
 7G8  CONST_58  O10  C8   N7   C4      0.00   0.0  0
 7G8  CONST_59  C9   C8   N7   C4    180.00   0.0  0
 7G8  CONST_60  C31  C33  N35  C36   180.00   0.0  0
 7G8  CONST_61  H7   N35  C33  C31     0.00   0.0  0
 7G8  CONST_62  C36  N35  C33  O34     0.00   0.0  0
 7G8  Var_01    C2   N11  C12  C13   179.41  30.0  2
 7G8  Var_02    N15  C16  N19  C20    -0.36  30.0  2
 7G8  Var_03    C16  N19  C20  C21  -179.77  30.0  2
 7G8  Var_04    C1   C2   N11  C12    -3.11  30.0  1
 7G8  Var_05    C32  C31  C33  O34    -0.21  30.0  2
 7G8  Var_06    C37  C9   C8   N7   -168.30  30.0  3
 7G8  Var_07    H22  C37  C9   C8    179.28  30.0  3
 7G8  Var_08    H8   C36  N35  C33    60.40  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
 7G8  plan-1  C4   0.020
 7G8  plan-1  C5   0.020
 7G8  plan-1  C6   0.020
 7G8  plan-1  C2   0.020
 7G8  plan-1  C3   0.020
 7G8  plan-1  C1   0.020
 7G8  plan-1  N7   0.020
 7G8  plan-1  H1   0.020
 7G8  plan-1  H2   0.020
 7G8  plan-1  H17  0.020
 7G8  plan-1  H18  0.020
 7G8  plan-1  N11  0.020
 7G8  plan-2  C20  0.020
 7G8  plan-2  C21  0.020
 7G8  plan-2  C22  0.020
 7G8  plan-2  C24  0.020
 7G8  plan-2  C23  0.020
 7G8  plan-2  C25  0.020
 7G8  plan-2  H3   0.020
 7G8  plan-2  H4   0.020
 7G8  plan-2  H5   0.020
 7G8  plan-2  H13  0.020
 7G8  plan-2  N19  0.020
 7G8  plan-2  O26  0.020
 7G8  plan-3  C28  0.020
 7G8  plan-3  C31  0.020
 7G8  plan-3  N30  0.020
 7G8  plan-3  C29  0.020
 7G8  plan-3  C32  0.020
 7G8  plan-3  C27  0.020
 7G8  plan-3  H6   0.020
 7G8  plan-3  H11  0.020
 7G8  plan-3  H12  0.020
 7G8  plan-3  O26  0.020
 7G8  plan-3  C33  0.020
 7G8  plan-4  C13  0.020
 7G8  plan-4  C16  0.020
 7G8  plan-4  N15  0.020
 7G8  plan-4  C14  0.020
 7G8  plan-4  F18  0.020
 7G8  plan-4  N17  0.020
 7G8  plan-4  C12  0.020
 7G8  plan-4  H15  0.020
 7G8  plan-4  N11  0.020
 7G8  plan-4  N19  0.020
 7G8  plan-5  C4   0.020
 7G8  plan-5  C8   0.020
 7G8  plan-5  N7   0.020
 7G8  plan-5  O10  0.020
 7G8  plan-5  C9   0.020
 7G8  plan-5  H19  0.020
 7G8  plan-6  O34  0.020
 7G8  plan-6  N35  0.020
 7G8  plan-6  C36  0.020
 7G8  plan-6  C31  0.020
 7G8  plan-6  H7   0.020
 7G8  plan-6  C33  0.020

