# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Jul 21 07:02:40 2021
#   Inital geometry file: a 134 line input string
#   Ligand name: 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9~{H}-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CNc1cc(F)cc2c1[nH]c3ncc(c4cnc(nc4)C5(CC5)C(O)=O)c(n6ccc(n6)C(F)(F)F)c23
#
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
 EZ6  EZ6  '1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9~{H}-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid'  ligand  54  37  .  2022-08-10  2022-11-17
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_EZ6
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
 EZ6  C01  C  CH3   0  -0.539  19.7287  64.1865  46.2707
 EZ6  N02  N  NH1   0  -0.681  20.0077  63.5039  45.0307
 EZ6  C03  C  CR6   0   0.362  19.9896  62.1359  44.9673
 EZ6  C04  C  CR16  0  -0.550  19.5480  61.3247  46.0087
 EZ6  C05  C  CR6   0   0.566  19.5144  59.9388  45.8586
 EZ6  C06  C  CR16  0  -0.590  19.9164  59.2725  44.7312
 EZ6  C07  C  CR56  0   0.050  20.3677  60.0739  43.6733
 EZ6  C08  C  CR56  0   0.299  20.3814  61.4703  43.7905
 EZ6  N09  N  NR15  0  -0.763  20.8181  62.0305  42.6079
 EZ6  C10  C  CR56  0   0.474  21.0776  61.0414  41.7189
 EZ6  C11  C  CR56  0  -0.008  20.8359  59.7923  42.3422
 EZ6  C12  C  CR6   0   0.330  21.0581  58.6677  41.5656
 EZ6  C13  C  CR6   0  -0.039  21.4815  58.8208  40.2463
 EZ6  C14  C  CR16  0  -0.112  21.6502  60.1235  39.7598
 EZ6  N15  N  N     0  -0.418  21.4624  61.2233  40.4692
 EZ6  C16  C  CR6   0  -0.084  21.7638  57.6658  39.3812
 EZ6  C17  C  CR16  0  -0.037  22.6898  56.6833  39.7228
 EZ6  N18  N  N     0  -0.388  22.9171  55.6276  38.9647
 EZ6  C19  C  CR6   0   0.379  22.2369  55.5378  37.8255
 EZ6  N20  N  N     0  -0.396  21.3617  56.4283  37.3897
 EZ6  C21  C  CR16  0  -0.029  21.1238  57.4772  38.1664
 EZ6  C22  C  CT    0  -0.255  22.4827  54.3146  37.0099
 EZ6  C23  C  CH2   0  -0.452  21.3717  53.7718  36.1434
 EZ6  C24  C  CH2   0  -0.446  21.7248  53.0658  37.3966
 EZ6  C25  C  C     0   0.579  23.8578  54.1223  36.4752
 EZ6  O26  O  OH1   0  -0.587  24.5829  55.2287  36.5450
 EZ6  O27  O  O     0  -0.447  24.2604  53.0905  35.9962
 EZ6  N28  N  NR5   0  -0.414  20.8584  57.3726  42.0913
 EZ6  C29  C  CR15  0   0.018  21.5169  56.8009  43.1279
 EZ6  C30  C  CR15  0  -0.498  21.0770  55.5057  43.2022
 EZ6  C31  C  CR5   0   0.023  20.1523  55.4052  42.1495
 EZ6  N32  N  N     0  -0.272  20.0303  56.5329  41.4845
 EZ6  C33  C  CT    0   1.073  19.3427  54.2272  41.7404
 EZ6  F34  F  F     0  -0.302  19.7227  53.1336  42.4048
 EZ6  F35  F  F     0  -0.309  19.4626  53.9718  40.4326
 EZ6  F36  F  F     0  -0.312  18.0374  54.4062  41.9772
 EZ6  F37  F  F     0  -0.326  19.0631  59.2232  46.9062
 EZ6  H1   H  HCH3  0   0.262  19.8008  65.2574  46.0990
 EZ6  H2   H  HCH3  0   0.241  18.7146  63.9719  46.6085
 EZ6  H3   H  HCH3  0   0.226  20.4195  63.9213  47.0786
 EZ6  H4   H  HNH1  0   0.385  20.7154  63.9532  44.4720
 EZ6  H5   H  HCR6  0   0.292  19.2257  61.7523  46.9483
 EZ6  H6   H  HCR6  0   0.267  19.8666  58.1951  44.6745
 EZ6  H7   H  HNR5  0   0.416  20.8300  63.0104  42.3747
 EZ6  H8   H  HCR6  0   0.276  21.9796  60.2628  38.7360
 EZ6  H9   H  HCR6  0   0.276  23.2692  56.7603  40.6377
 EZ6  H10  H  HCR6  0   0.276  20.3874  58.1909  37.8115
 EZ6  H11  H  HCH2  0   0.274  20.4649  54.3602  36.1144
 EZ6  H12  H  HCH2  0   0.276  21.6549  53.3244  35.2001
 EZ6  H13  H  HCH2  0   0.265  21.0566  53.1578  38.2429
 EZ6  H14  H  HCH2  0   0.275  22.2559  52.1251  37.3388
 EZ6  H15  H  HOH1  0   0.486  25.4621  55.0731  36.1678
 EZ6  H16  H  HCR5  0   0.324  22.2428  57.3442  43.7110
 EZ6  H17  H  HCR5  0   0.289  21.3849  54.7511  43.9054

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
 EZ6  C23  C22  single    1.510  0.020  1.510
 EZ6  C23  C24  single    1.481  0.020  1.481
 EZ6  O27  C25  double    1.207  0.020  1.207
 EZ6  C25  O26  single    1.325  0.020  1.325
 EZ6  C25  C22  single    1.488  0.020  1.488
 EZ6  C22  C24  single    1.511  0.020  1.511
 EZ6  C22  C19  single    1.491  0.020  1.491
 EZ6  N20  C19  aromatic  1.322  0.020  1.322
 EZ6  N20  C21  aromatic  1.327  0.020  1.327
 EZ6  C19  N18  aromatic  1.330  0.020  1.330
 EZ6  C21  C16  aromatic  1.386  0.020  1.386
 EZ6  N18  C17  aromatic  1.319  0.020  1.319
 EZ6  C16  C17  aromatic  1.393  0.020  1.393
 EZ6  C16  C13  single    1.470  0.020  1.470
 EZ6  C14  C13  aromatic  1.401  0.020  1.401
 EZ6  C14  N15  aromatic  1.322  0.020  1.322
 EZ6  C13  C12  aromatic  1.394  0.020  1.394
 EZ6  N15  C10  aromatic  1.320  0.020  1.320
 EZ6  F35  C33  single    1.338  0.020  1.338
 EZ6  N32  N28  aromatic  1.326  0.020  1.326
 EZ6  N32  C31  aromatic  1.315  0.020  1.315
 EZ6  C12  N28  single    1.412  0.020  1.412
 EZ6  C12  C11  aromatic  1.385  0.020  1.385
 EZ6  C10  C11  aromatic  1.417  0.020  1.417
 EZ6  C10  N09  aromatic  1.355  0.020  1.355
 EZ6  C33  F36  single    1.339  0.020  1.339
 EZ6  C33  C31  single    1.487  0.020  1.487
 EZ6  C33  F34  single    1.335  0.020  1.335
 EZ6  N28  C29  aromatic  1.355  0.020  1.355
 EZ6  C31  C30  aromatic  1.405  0.020  1.405
 EZ6  C11  C07  aromatic  1.439  0.020  1.439
 EZ6  N09  C08  aromatic  1.380  0.020  1.380
 EZ6  C29  C30  aromatic  1.370  0.020  1.370
 EZ6  C07  C08  aromatic  1.401  0.020  1.401
 EZ6  C07  C06  aromatic  1.402  0.020  1.402
 EZ6  C08  C03  aromatic  1.408  0.020  1.408
 EZ6  C06  C05  aromatic  1.370  0.020  1.370
 EZ6  C03  N02  single    1.370  0.020  1.370
 EZ6  C03  C04  aromatic  1.392  0.020  1.392
 EZ6  N02  C01  single    1.443  0.020  1.443
 EZ6  C05  C04  aromatic  1.394  0.020  1.394
 EZ6  C05  F37  single    1.347  0.020  1.347
 EZ6  C01  H1   single    0.970  0.020  1.090
 EZ6  C01  H2   single    0.970  0.020  1.090
 EZ6  C01  H3   single    0.970  0.020  1.090
 EZ6  N02  H4   single    0.890  0.020  1.040
 EZ6  C04  H5   single    0.930  0.020  1.080
 EZ6  C06  H6   single    0.930  0.020  1.080
 EZ6  N09  H7   single    0.860  0.020  1.020
 EZ6  C14  H8   single    0.930  0.020  1.080
 EZ6  C17  H9   single    0.930  0.020  1.080
 EZ6  C21  H10  single    0.930  0.020  1.080
 EZ6  C23  H11  single    0.970  0.020  1.090
 EZ6  C23  H12  single    0.970  0.020  1.090
 EZ6  C24  H13  single    0.970  0.020  1.090
 EZ6  C24  H14  single    0.970  0.020  1.090
 EZ6  O26  H15  single    0.850  0.020  0.980
 EZ6  C29  H16  single    0.930  0.020  1.080
 EZ6  C30  H17  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
 EZ6  H3   C01  H2   108.08  3.000
 EZ6  H3   C01  H1   108.25  3.000
 EZ6  H2   C01  H1   107.73  3.000
 EZ6  H3   C01  N02  113.41  3.000
 EZ6  H2   C01  N02  110.68  3.000
 EZ6  H1   C01  N02  108.51  3.000
 EZ6  H4   N02  C03  115.41  3.000
 EZ6  H4   N02  C01  113.68  3.000
 EZ6  C03  N02  C01  120.65  3.000
 EZ6  C08  C03  C04  115.99  3.000
 EZ6  C04  C03  N02  123.48  3.000
 EZ6  C08  C03  N02  120.49  3.000
 EZ6  H5   C04  C05  118.64  3.000
 EZ6  H5   C04  C03  120.94  3.000
 EZ6  C05  C04  C03  120.42  3.000
 EZ6  F37  C05  C06  118.70  3.000
 EZ6  F37  C05  C04  116.91  3.000
 EZ6  C06  C05  C04  124.39  3.000
 EZ6  H6   C06  C07  123.05  3.000
 EZ6  H6   C06  C05  120.99  3.000
 EZ6  C07  C06  C05  115.95  3.000
 EZ6  C11  C07  C08  105.62  3.000
 EZ6  C08  C07  C06  120.64  3.000
 EZ6  C11  C07  C06  133.71  3.000
 EZ6  N09  C08  C07  109.63  3.000
 EZ6  C07  C08  C03  122.58  3.000
 EZ6  N09  C08  C03  127.79  3.000
 EZ6  H7   N09  C10  123.78  3.000
 EZ6  H7   N09  C08  126.67  3.000
 EZ6  C10  N09  C08  109.06  3.000
 EZ6  N15  C10  C11  125.99  3.000
 EZ6  C11  C10  N09  108.80  3.000
 EZ6  N15  C10  N09  125.19  3.000
 EZ6  C12  C11  C10  116.23  3.000
 EZ6  C10  C11  C07  106.85  3.000
 EZ6  C12  C11  C07  136.89  3.000
 EZ6  N28  C12  C13  119.74  3.000
 EZ6  N28  C12  C11  120.90  3.000
 EZ6  C13  C12  C11  119.36  3.000
 EZ6  C16  C13  C14  120.20  3.000
 EZ6  C14  C13  C12  117.87  3.000
 EZ6  C16  C13  C12  121.93  3.000
 EZ6  H8   C14  N15  116.28  3.000
 EZ6  H8   C14  C13  118.94  3.000
 EZ6  N15  C14  C13  124.76  3.000
 EZ6  C14  N15  C10  115.77  3.000
 EZ6  C21  C16  C17  115.22  3.000
 EZ6  C17  C16  C13  122.52  3.000
 EZ6  C21  C16  C13  122.27  3.000
 EZ6  H9   C17  N18  116.68  3.000
 EZ6  H9   C17  C16  120.76  3.000
 EZ6  N18  C17  C16  122.55  3.000
 EZ6  C19  N18  C17  117.26  3.000
 EZ6  C22  C19  N20  118.78  3.000
 EZ6  N20  C19  N18  125.12  3.000
 EZ6  C22  C19  N18  116.09  3.000
 EZ6  C21  N20  C19  117.27  3.000
 EZ6  H10  C21  N20  116.76  3.000
 EZ6  H10  C21  C16  120.70  3.000
 EZ6  N20  C21  C16  122.54  3.000
 EZ6  C25  C22  C24  116.66  3.000
 EZ6  C24  C22  C23   58.72  3.000
 EZ6  C25  C22  C23  115.30  3.000
 EZ6  C24  C22  C19  117.09  3.000
 EZ6  C25  C22  C19  117.07  3.000
 EZ6  C23  C22  C19  119.19  3.000
 EZ6  H12  C23  H11  114.91  3.000
 EZ6  H12  C23  C24  118.57  3.000
 EZ6  H11  C23  C24  118.81  3.000
 EZ6  H12  C23  C22  117.16  3.000
 EZ6  H11  C23  C22  115.90  3.000
 EZ6  C24  C23  C22   60.68  3.000
 EZ6  H14  C24  H13  114.76  3.000
 EZ6  H14  C24  C23  119.10  3.000
 EZ6  H13  C24  C23  118.30  3.000
 EZ6  H14  C24  C22  117.30  3.000
 EZ6  H13  C24  C22  116.08  3.000
 EZ6  C23  C24  C22   60.60  3.000
 EZ6  O27  C25  O26  123.54  3.000
 EZ6  O26  C25  C22  112.27  3.000
 EZ6  O27  C25  C22  124.16  3.000
 EZ6  H15  O26  C25  109.99  3.000
 EZ6  N32  N28  C29  112.73  3.000
 EZ6  C29  N28  C12  127.11  3.000
 EZ6  N32  N28  C12  119.91  3.000
 EZ6  H16  C29  C30  131.56  3.000
 EZ6  H16  C29  N28  121.91  3.000
 EZ6  C30  C29  N28  106.52  3.000
 EZ6  H17  C30  C31  128.88  3.000
 EZ6  H17  C30  C29  127.33  3.000
 EZ6  C31  C30  C29  103.79  3.000
 EZ6  C33  C31  N32  119.33  3.000
 EZ6  C33  C31  C30  128.41  3.000
 EZ6  N32  C31  C30  112.25  3.000
 EZ6  C31  N32  N28  104.70  3.000
 EZ6  F36  C33  F35  106.61  3.000
 EZ6  F36  C33  F34  107.40  3.000
 EZ6  F35  C33  F34  107.74  3.000
 EZ6  F34  C33  C31  110.93  3.000
 EZ6  F36  C33  C31  112.11  3.000
 EZ6  F35  C33  C31  111.80  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
 EZ6  CONST_01  C10  N09  C08  C03   180.00   0.0  0
 EZ6  CONST_02  C11  C07  C08  C03   180.00   0.0  0
 EZ6  CONST_03  C06  C07  C08  C03     0.00   0.0  0
 EZ6  CONST_04  C06  C05  C04  C03     0.00   0.0  0
 EZ6  CONST_05  N09  C08  C03  C04   180.00   0.0  0
 EZ6  CONST_06  C07  C08  C03  C04     0.00   0.0  0
 EZ6  CONST_07  C07  C06  C05  C04     0.00   0.0  0
 EZ6  CONST_08  C11  C07  C06  C05   180.00   0.0  0
 EZ6  CONST_09  C08  C07  C06  C05     0.00   0.0  0
 EZ6  CONST_10  C08  C03  C04  C05     0.00   0.0  0
 EZ6  CONST_11  C12  C11  C07  C06     0.00   0.0  0
 EZ6  CONST_12  C10  C11  C07  C06   180.00   0.0  0
 EZ6  CONST_13  N09  C08  C07  C06   180.00   0.0  0
 EZ6  CONST_14  C13  C12  C11  C07   180.00   0.0  0
 EZ6  CONST_15  N28  C12  C11  C07     0.00   0.0  0
 EZ6  CONST_16  N15  C10  C11  C07   180.00   0.0  0
 EZ6  CONST_17  N09  C10  C11  C07     0.00   0.0  0
 EZ6  CONST_18  C10  N09  C08  C07     0.00   0.0  0
 EZ6  CONST_19  N15  C10  N09  C08   180.00   0.0  0
 EZ6  CONST_20  C11  C10  N09  C08     0.00   0.0  0
 EZ6  CONST_21  C12  C11  C07  C08   180.00   0.0  0
 EZ6  CONST_22  C10  C11  C07  C08     0.00   0.0  0
 EZ6  CONST_23  C14  N15  C10  N09   180.00   0.0  0
 EZ6  CONST_24  C12  C11  C10  N09   180.00   0.0  0
 EZ6  CONST_25  C11  C07  C08  N09     0.00   0.0  0
 EZ6  CONST_26  C13  C14  N15  C10     0.00   0.0  0
 EZ6  CONST_27  C13  C12  C11  C10     0.00   0.0  0
 EZ6  CONST_28  N28  C12  C11  C10   180.00   0.0  0
 EZ6  CONST_29  C16  C13  C12  C11   180.00   0.0  0
 EZ6  CONST_30  C14  C13  C12  C11     0.00   0.0  0
 EZ6  CONST_33  C14  N15  C10  C11     0.00   0.0  0
 EZ6  CONST_36  N15  C14  C13  C12     0.00   0.0  0
 EZ6  CONST_37  C31  N32  N28  C12   180.00   0.0  0
 EZ6  CONST_38  C30  C29  N28  C12   180.00   0.0  0
 EZ6  CONST_39  N15  C10  C11  C12     0.00   0.0  0
 EZ6  CONST_40  N20  C21  C16  C13   180.00   0.0  0
 EZ6  CONST_41  N18  C17  C16  C13   180.00   0.0  0
 EZ6  CONST_46  N28  C12  C13  C14   180.00   0.0  0
 EZ6  CONST_47  C16  C13  C14  N15   180.00   0.0  0
 EZ6  CONST_48  C19  N20  C21  C16     0.00   0.0  0
 EZ6  CONST_49  C19  N18  C17  C16     0.00   0.0  0
 EZ6  CONST_50  N28  C12  C13  C16     0.00   0.0  0
 EZ6  CONST_51  N20  C19  N18  C17     0.00   0.0  0
 EZ6  CONST_52  N20  C21  C16  C17     0.00   0.0  0
 EZ6  CONST_53  C21  N20  C19  N18     0.00   0.0  0
 EZ6  CONST_54  C21  C16  C17  N18     0.00   0.0  0
 EZ6  CONST_55  C30  C31  N32  N28     0.00   0.0  0
 EZ6  CONST_56  C31  C30  C29  N28     0.00   0.0  0
 EZ6  CONST_57  C31  N32  N28  C29     0.00   0.0  0
 EZ6  CONST_58  N32  C31  C30  C29     0.00   0.0  0
 EZ6  CONST_59  N32  N28  C29  C30     0.00   0.0  0
 EZ6  CONST_60  C22  C19  N18  C17   180.00   0.0  0
 EZ6  CONST_61  C22  C19  N20  C21   180.00   0.0  0
 EZ6  CONST_62  N09  C08  C03  N02     0.00   0.0  0
 EZ6  CONST_63  C07  C08  C03  N02   180.00   0.0  0
 EZ6  CONST_64  C05  C04  C03  N02   180.00   0.0  0
 EZ6  CONST_65  F37  C05  C04  C03   180.00   0.0  0
 EZ6  CONST_66  F37  C05  C06  C07   180.00   0.0  0
 EZ6  CONST_67  C33  C31  N32  N28   180.00   0.0  0
 EZ6  CONST_68  C33  C31  C30  C29   180.00   0.0  0
 EZ6  CONST_69  H7   N09  C08  C03     0.00   0.0  0
 EZ6  CONST_70  H6   C06  C05  C04   180.00   0.0  0
 EZ6  CONST_71  H5   C04  C05  C06   180.00   0.0  0
 EZ6  CONST_72  H8   C14  N15  C10   180.00   0.0  0
 EZ6  CONST_73  H16  C29  N28  C12     0.00   0.0  0
 EZ6  CONST_74  H10  C21  C16  C13     0.00   0.0  0
 EZ6  CONST_75  H9   C17  C16  C13     0.00   0.0  0
 EZ6  CONST_76  H17  C30  C29  N28   180.00   0.0  0
 EZ6  CONST_77  C08  C03  N02  C01   180.00   0.0  0
 EZ6  CONST_78  C04  C03  N02  C01     0.00   0.0  0
 EZ6  CONST_80  H15  O26  C25  C22   180.00   0.0  0
 EZ6  Var_01    C23  C22  C19  N18   149.82  30.0  2
 EZ6  Var_02    C24  C23  C22  C19  -105.73  30.0  1
 EZ6  Var_03    O27  C25  C22  C19   167.14  30.0  2
 EZ6  Var_04    F35  C33  C31  C30  -128.86  30.0  3
 EZ6  Var_05    H1   C01  N02  C03   179.72  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
 EZ6  chir_01  C22  C25  C24  C19  both

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
 EZ6  plan-1  C12  0.020
 EZ6  plan-1  N28  0.020
 EZ6  plan-1  C29  0.020
 EZ6  plan-1  C30  0.020
 EZ6  plan-1  C31  0.020
 EZ6  plan-1  N32  0.020
 EZ6  plan-1  C33  0.020
 EZ6  plan-1  H16  0.020
 EZ6  plan-1  H17  0.020
 EZ6  plan-2  C13  0.020
 EZ6  plan-2  C16  0.020
 EZ6  plan-2  C17  0.020
 EZ6  plan-2  N18  0.020
 EZ6  plan-2  C19  0.020
 EZ6  plan-2  N20  0.020
 EZ6  plan-2  C21  0.020
 EZ6  plan-2  C22  0.020
 EZ6  plan-2  H9   0.020
 EZ6  plan-2  H10  0.020
 EZ6  plan-3  N02  0.020
 EZ6  plan-3  C03  0.020
 EZ6  plan-3  C04  0.020
 EZ6  plan-3  C05  0.020
 EZ6  plan-3  C06  0.020
 EZ6  plan-3  C07  0.020
 EZ6  plan-3  C08  0.020
 EZ6  plan-3  N09  0.020
 EZ6  plan-3  C10  0.020
 EZ6  plan-3  C11  0.020
 EZ6  plan-3  C12  0.020
 EZ6  plan-3  C13  0.020
 EZ6  plan-3  C14  0.020
 EZ6  plan-3  N15  0.020
 EZ6  plan-3  C16  0.020
 EZ6  plan-3  N28  0.020
 EZ6  plan-3  F37  0.020
 EZ6  plan-3  H5   0.020
 EZ6  plan-3  H6   0.020
 EZ6  plan-3  H7   0.020
 EZ6  plan-3  H8   0.020
 EZ6  plan-4  C01  0.020
 EZ6  plan-4  N02  0.020
 EZ6  plan-4  C03  0.020
 EZ6  plan-4  H4   0.020
 EZ6  plan-5  C22  0.020
 EZ6  plan-5  C25  0.020
 EZ6  plan-5  O26  0.020
 EZ6  plan-5  O27  0.020
 EZ6  plan-5  H15  0.020

