# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Jul 29 12:51:35 2022
#   Inital geometry file: a 133 line input string
#   Ligand name: [1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: OCc1ccn(n1)c2ccc(Nc3cc4nc(OC5CCNCC5)ccc4cn3)c(F)c2
#
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
 65L  65L  "[1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol"  ligand  55  32  .  2022-09-15  2022-09-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_65L
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
 65L  C4   C  CR15  0  -0.530  62.3086  -35.7229  53.6022
 65L  C5   C  CR15  0   0.039  61.0460  -35.3454  53.2317
 65L  C8   C  CR6   0   0.386  59.2892  -36.4254  51.8549
 65L  C10  C  CR16  0  -0.306  56.9766  -35.7818  51.7216
 65L  C13  C  CR6   0   0.481  54.2931  -36.8155  50.4790
 65L  C15  C  CR66  0   0.335  52.6455  -36.8828  52.2197
 65L  C17  C  CR6   0   0.529  51.0658  -36.9250  53.8629
 65L  C20  C  CH2   0  -0.459  51.9797  -35.1825  56.3060
 65L  C21  C  CH2   0  -0.299  52.8636  -34.9543  57.5263
 65L  C24  C  CH2   0  -0.446  51.0544  -37.2003  57.4592
 65L  C26  C  CR16  0  -0.166  50.3061  -37.0913  51.6077
 65L  C28  C  CR16  0  -0.102  52.0947  -37.0154  49.8801
 65L  O1   O  OH1   0  -0.663  64.4018  -37.7143  51.8275
 65L  C3   C  CR5   0   0.281  62.4953  -36.9867  53.0076
 65L  N6   N  NR5   0  -0.403  60.5510  -36.3513  52.4711
 65L  N7   N  N     0  -0.295  61.4237  -37.3487  52.3295
 65L  C9   C  CR16  0  -0.321  58.2099  -35.7048  52.3480
 65L  C11  C  CR6   0   0.193  56.7696  -36.6128  50.6223
 65L  C14  C  CR16  0  -0.452  53.9898  -36.8051  51.8299
 65L  N16  N  N     0  -0.517  52.3230  -36.8459  53.5360
 65L  O18  O  O2    0  -0.480  50.6908  -36.8882  55.1343
 65L  C19  C  CH1   0   0.040  51.6558  -36.6636  56.1722
 65L  N22  N  NH1   0  -0.593  52.2126  -35.4671  58.7175
 65L  C23  C  CH2   0  -0.303  51.9825  -36.8969  58.6280
 65L  C25  C  CR16  0  -0.404  49.9955  -37.0601  52.9291
 65L  C27  C  CR66  0  -0.055  51.6604  -36.9966  51.2137
 65L  N29  N  N     0  -0.454  53.3462  -36.9221  49.5192
 65L  C30  C  CR6   0   0.511  57.8823  -37.3129  50.1543
 65L  F31  F  F     0  -0.307  57.7291  -38.0897  49.0722
 65L  C32  C  CR16  0  -0.467  59.1261  -37.2292  50.7321
 65L  H1   H  HCR5  0   0.269  63.0058  -35.1684  54.2082
 65L  H2   H  HCR5  0   0.301  60.4869  -34.4479  53.4383
 65L  H3   H  HCR6  0   0.296  56.1650  -35.1779  52.1015
 65L  H4   H  HNH1  0   0.400  55.5965  -36.9418  48.9682
 65L  H6   H  HCH2  0   0.227  51.0503  -34.6162  56.4159
 65L  H7   H  HCH2  0   0.193  53.8458  -35.4225  57.3465
 65L  H8   H  HCH2  0   0.238  53.0428  -33.8850  57.6507
 65L  H9   H  HCH2  0   0.227  50.0839  -36.7287  57.6390
 65L  H10  H  HCH2  0   0.241  50.8935  -38.2779  57.3841
 65L  H11  H  HCR6  0   0.275  49.5315  -37.1867  50.8564
 65L  H12  H  HCR6  0   0.272  51.3616  -37.1106  49.0837
 65L  H13  H  HOH1  0   0.454  65.1868  -38.2692  51.8683
 65L  H16  H  HCR6  0   0.286  58.3096  -35.0751  53.2213
 65L  H17  H  HCR6  0   0.276  54.7489  -36.7517  52.5960
 65L  H18  H  HCH1  0   0.230  52.5726  -37.2150  55.9413
 65L  H19  H  HNH1  0   0.353  52.7851  -35.2671  59.5271
 65L  H21  H  HCH2  0   0.239  51.5241  -37.2424  59.5562
 65L  H22  H  HCH2  0   0.192  52.9166  -37.4698  58.5017
 65L  H23  H  HCR6  0   0.275  48.9762  -37.1288  53.2827
 65L  H24  H  HCR6  0   0.299  59.9520  -37.7915  50.3191
 65L  N12  N  NH1   0  -0.758  55.5596  -36.7421  49.9566
 65L  C2   C  CH2   0  -0.221  63.7080  -37.8549  53.0495
 65L  H5   H  HCH2  0   0.243  52.4887  -34.8171  55.4128
 65L  H14  H  HCH2  0   0.212  63.4050  -38.8939  53.2245
 65L  H15  H  HCH2  0   0.212  64.3242  -37.5524  53.9034

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
 65L  F31  C30  single    1.341  0.020  1.341
 65L  N29  C28  aromatic  1.306  0.020  1.306
 65L  N29  C13  aromatic  1.352  0.020  1.352
 65L  N12  C13  single    1.372  0.020  1.372
 65L  N12  C11  single    1.387  0.020  1.387
 65L  C28  C27  aromatic  1.403  0.020  1.403
 65L  C30  C11  aromatic  1.395  0.020  1.395
 65L  C30  C32  aromatic  1.374  0.020  1.374
 65L  C13  C14  aromatic  1.385  0.020  1.385
 65L  C11  C10  aromatic  1.394  0.020  1.394
 65L  C32  C8   aromatic  1.390  0.020  1.390
 65L  C27  C26  aromatic  1.414  0.020  1.414
 65L  C27  C15  aromatic  1.413  0.020  1.413
 65L  C10  C9   aromatic  1.385  0.020  1.385
 65L  C26  C25  aromatic  1.358  0.020  1.358
 65L  C14  C15  aromatic  1.402  0.020  1.402
 65L  C8   C9   aromatic  1.388  0.020  1.388
 65L  C8   N6   single    1.406  0.020  1.406
 65L  O1   C2   single    1.412  0.020  1.412
 65L  C15  N16  aromatic  1.356  0.020  1.356
 65L  N7   N6   aromatic  1.333  0.020  1.333
 65L  N7   C3   aromatic  1.319  0.020  1.319
 65L  N6   C5   aromatic  1.355  0.020  1.355
 65L  C25  C17  aromatic  1.427  0.020  1.427
 65L  C3   C2   single    1.492  0.020  1.492
 65L  C3   C4   aromatic  1.409  0.020  1.409
 65L  N16  C17  aromatic  1.301  0.020  1.301
 65L  C5   C4   aromatic  1.369  0.020  1.369
 65L  C17  O18  single    1.326  0.020  1.326
 65L  O18  C19  single    1.435  0.020  1.435
 65L  C19  C20  single    1.522  0.020  1.522
 65L  C19  C24  single    1.519  0.020  1.519
 65L  C20  C21  single    1.524  0.020  1.524
 65L  C21  N22  single    1.451  0.020  1.451
 65L  C24  C23  single    1.523  0.020  1.523
 65L  C23  N22  single    1.451  0.020  1.451
 65L  C4   H1   single    0.930  0.020  1.080
 65L  C5   H2   single    0.930  0.020  1.080
 65L  C10  H3   single    0.930  0.020  1.080
 65L  N12  H4   single    0.860  0.020  1.020
 65L  C20  H5   single    0.970  0.020  1.090
 65L  C20  H6   single    0.970  0.020  1.090
 65L  C21  H7   single    0.970  0.020  1.090
 65L  C21  H8   single    0.970  0.020  1.090
 65L  C24  H9   single    0.970  0.020  1.090
 65L  C24  H10  single    0.970  0.020  1.090
 65L  C26  H11  single    0.930  0.020  1.080
 65L  C28  H12  single    0.930  0.020  1.080
 65L  O1   H13  single    0.850  0.020  0.980
 65L  C2   H14  single    0.970  0.020  1.090
 65L  C2   H15  single    0.970  0.020  1.090
 65L  C9   H16  single    0.930  0.020  1.080
 65L  C14  H17  single    0.930  0.020  1.080
 65L  C19  H18  single    0.970  0.020  1.090
 65L  N22  H19  single    0.890  0.020  1.040
 65L  C23  H21  single    0.970  0.020  1.090
 65L  C23  H22  single    0.970  0.020  1.090
 65L  C25  H23  single    0.930  0.020  1.080
 65L  C32  H24  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
 65L  H1   C4   C3   127.83  3.000
 65L  H1   C4   C5   127.38  3.000
 65L  C3   C4   C5   104.79  3.000
 65L  H2   C5   N6   122.45  3.000
 65L  H2   C5   C4   131.03  3.000
 65L  N6   C5   C4   106.51  3.000
 65L  C32  C8   C9   119.71  3.000
 65L  C9   C8   N6   120.97  3.000
 65L  C32  C8   N6   119.31  3.000
 65L  H3   C10  C11  119.94  3.000
 65L  H3   C10  C9   118.59  3.000
 65L  C11  C10  C9   121.47  3.000
 65L  N29  C13  C14  122.65  3.000
 65L  C14  C13  N12  124.98  3.000
 65L  N29  C13  N12  112.35  3.000
 65L  C27  C15  N16  121.85  3.000
 65L  N16  C15  C14  119.78  3.000
 65L  C27  C15  C14  118.37  3.000
 65L  C25  C17  O18  114.71  3.000
 65L  O18  C17  N16  120.82  3.000
 65L  C25  C17  N16  124.47  3.000
 65L  H6   C20  H5   107.77  3.000
 65L  H6   C20  C19  109.38  3.000
 65L  H5   C20  C19  110.69  3.000
 65L  H6   C20  C21  109.56  3.000
 65L  H5   C20  C21  109.56  3.000
 65L  C19  C20  C21  109.85  3.000
 65L  H8   C21  H7   106.76  3.000
 65L  H8   C21  N22  109.05  3.000
 65L  H7   C21  N22  112.55  3.000
 65L  H8   C21  C20  109.46  3.000
 65L  H7   C21  C20  108.81  3.000
 65L  N22  C21  C20  110.13  3.000
 65L  H10  C24  H9   107.81  3.000
 65L  H10  C24  C23  109.82  3.000
 65L  H9   C24  C23  109.19  3.000
 65L  H10  C24  C19  110.42  3.000
 65L  H9   C24  C19  109.77  3.000
 65L  C23  C24  C19  109.80  3.000
 65L  H11  C26  C27  119.85  3.000
 65L  H11  C26  C25  120.89  3.000
 65L  C27  C26  C25  119.26  3.000
 65L  H12  C28  N29  116.76  3.000
 65L  H12  C28  C27  119.29  3.000
 65L  N29  C28  C27  123.96  3.000
 65L  H13  O1   C2   107.87  3.000
 65L  N7   C3   C2   121.01  3.000
 65L  C2   C3   C4   128.15  3.000
 65L  N7   C3   C4   110.82  3.000
 65L  N7   N6   C8   120.10  3.000
 65L  N7   N6   C5   112.09  3.000
 65L  C8   N6   C5   127.81  3.000
 65L  N6   N7   C3   105.79  3.000
 65L  H16  C9   C10  118.66  3.000
 65L  H16  C9   C8   121.16  3.000
 65L  C10  C9   C8   120.18  3.000
 65L  C30  C11  N12  119.20  3.000
 65L  C30  C11  C10  116.44  3.000
 65L  N12  C11  C10  124.32  3.000
 65L  H17  C14  C15  118.66  3.000
 65L  H17  C14  C13  122.58  3.000
 65L  C15  C14  C13  118.75  3.000
 65L  C17  N16  C15  118.17  3.000
 65L  C19  O18  C17  120.51  3.000
 65L  H18  C19  O18  109.38  3.000
 65L  H18  C19  C24  109.42  3.000
 65L  O18  C19  C24  106.94  3.000
 65L  H18  C19  C20  109.31  3.000
 65L  C24  C19  C20  110.72  3.000
 65L  O18  C19  C20  111.04  3.000
 65L  H19  N22  C23  109.51  3.000
 65L  H19  N22  C21  109.46  3.000
 65L  C23  N22  C21  111.63  3.000
 65L  H22  C23  H21  106.78  3.000
 65L  H22  C23  N22  112.62  3.000
 65L  H21  C23  N22  109.03  3.000
 65L  H22  C23  C24  108.95  3.000
 65L  H21  C23  C24  109.49  3.000
 65L  N22  C23  C24  109.89  3.000
 65L  H23  C25  C26  122.18  3.000
 65L  H23  C25  C17  119.94  3.000
 65L  C26  C25  C17  117.88  3.000
 65L  C28  C27  C26  124.10  3.000
 65L  C26  C27  C15  118.36  3.000
 65L  C28  C27  C15  117.53  3.000
 65L  C28  N29  C13  118.72  3.000
 65L  C32  C30  F31  118.56  3.000
 65L  C32  C30  C11  123.38  3.000
 65L  F31  C30  C11  118.05  3.000
 65L  H24  C32  C30  119.95  3.000
 65L  H24  C32  C8   121.30  3.000
 65L  C30  C32  C8   118.75  3.000
 65L  H4   N12  C11  117.18  3.000
 65L  H4   N12  C13  113.34  3.000
 65L  C11  N12  C13  128.87  3.000
 65L  H15  C2   H14  107.02  3.000
 65L  H15  C2   C3   108.57  3.000
 65L  H14  C2   C3   109.35  3.000
 65L  H15  C2   O1   111.75  3.000
 65L  H14  C2   O1   111.60  3.000
 65L  C3   C2   O1   108.49  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
 65L  CONST_01  N6   N7   C3   C4      0.00   0.0  0
 65L  CONST_02  C8   N6   C5   C4    180.00   0.0  0
 65L  CONST_03  N7   N6   C5   C4      0.00   0.0  0
 65L  CONST_06  C3   N7   N6   C5      0.00   0.0  0
 65L  CONST_07  N7   C3   C4   C5      0.00   0.0  0
 65L  CONST_08  C11  C30  C32  C8      0.00   0.0  0
 65L  CONST_09  C11  C10  C9   C8      0.00   0.0  0
 65L  CONST_10  C3   N7   N6   C8    180.00   0.0  0
 65L  CONST_11  C32  C30  C11  C10     0.00   0.0  0
 65L  CONST_12  C32  C8   C9   C10     0.00   0.0  0
 65L  CONST_13  N6   C8   C9   C10   180.00   0.0  0
 65L  CONST_14  C27  C28  N29  C13     0.00   0.0  0
 65L  CONST_15  C27  C15  C14  C13     0.00   0.0  0
 65L  CONST_16  N16  C15  C14  C13   180.00   0.0  0
 65L  CONST_17  N29  C28  C27  C15     0.00   0.0  0
 65L  CONST_18  C25  C26  C27  C15     0.00   0.0  0
 65L  CONST_19  N29  C13  C14  C15     0.00   0.0  0
 65L  CONST_20  C25  C17  N16  C15     0.00   0.0  0
 65L  CONST_21  C27  C26  C25  C17     0.00   0.0  0
 65L  CONST_22  C27  C15  N16  C17     0.00   0.0  0
 65L  CONST_23  C14  C15  N16  C17   180.00   0.0  0
 65L  CONST_24  N29  C28  C27  C26   180.00   0.0  0
 65L  CONST_25  C14  C15  C27  C26   180.00   0.0  0
 65L  CONST_26  N16  C15  C27  C26     0.00   0.0  0
 65L  CONST_27  N16  C17  C25  C26     0.00   0.0  0
 65L  CONST_28  C14  C13  N29  C28     0.00   0.0  0
 65L  CONST_29  C25  C26  C27  C28   180.00   0.0  0
 65L  CONST_30  C14  C15  C27  C28     0.00   0.0  0
 65L  CONST_31  N16  C15  C27  C28   180.00   0.0  0
 65L  CONST_32  N6   C5   C4   C3      0.00   0.0  0
 65L  CONST_33  C30  C32  C8   N6    180.00   0.0  0
 65L  CONST_36  C30  C11  C10  C9      0.00   0.0  0
 65L  CONST_37  C30  C32  C8   C9      0.00   0.0  0
 65L  CONST_38  C2   C3   C4   C5    180.00   0.0  0
 65L  CONST_39  F31  C30  C32  C8    180.00   0.0  0
 65L  CONST_40  F31  C30  C11  C10   180.00   0.0  0
 65L  CONST_41  C28  N29  C13  N12   180.00   0.0  0
 65L  CONST_42  C15  C14  C13  N12   180.00   0.0  0
 65L  CONST_43  C32  C30  C11  N12   180.00   0.0  0
 65L  CONST_44  C9   C10  C11  N12   180.00   0.0  0
 65L  CONST_45  O18  C17  N16  C15   180.00   0.0  0
 65L  CONST_46  O18  C17  C25  C26   180.00   0.0  0
 65L  CONST_47  N6   N7   C3   C2    180.00   0.0  0
 65L  CONST_48  H3   C10  C9   C8    180.00   0.0  0
 65L  CONST_49  H2   C5   N6   C8      0.00   0.0  0
 65L  CONST_50  H12  C28  N29  C13   180.00   0.0  0
 65L  CONST_51  H12  C28  C27  C15   180.00   0.0  0
 65L  CONST_52  H11  C26  C27  C15   180.00   0.0  0
 65L  CONST_53  H11  C26  C25  C17   180.00   0.0  0
 65L  CONST_54  H12  C28  C27  C26     0.00   0.0  0
 65L  CONST_55  H11  C26  C27  C28     0.00   0.0  0
 65L  CONST_56  H2   C5   C4   C3    180.00   0.0  0
 65L  CONST_57  H24  C32  C8   N6      0.00   0.0  0
 65L  CONST_58  H16  C9   C8   N6      0.00   0.0  0
 65L  CONST_59  H1   C4   C5   N6    180.00   0.0  0
 65L  CONST_60  H2   C5   N6   N7    180.00   0.0  0
 65L  CONST_61  H1   C4   C3   N7    180.00   0.0  0
 65L  CONST_62  H24  C32  C8   C9    180.00   0.0  0
 65L  CONST_63  H24  C32  C30  C11   180.00   0.0  0
 65L  CONST_64  H16  C9   C10  C11   180.00   0.0  0
 65L  CONST_65  H17  C14  C15  N16     0.00   0.0  0
 65L  CONST_66  H23  C25  C17  N16   180.00   0.0  0
 65L  CONST_67  H23  C25  C26  C27   180.00   0.0  0
 65L  CONST_68  H17  C14  C15  C27   180.00   0.0  0
 65L  CONST_69  H17  C14  C13  N29   180.00   0.0  0
 65L  CONST_70  H3   C10  C11  C30   180.00   0.0  0
 65L  CONST_71  H16  C9   C8   C32   180.00   0.0  0
 65L  Var_01    C23  N22  C21  C20    61.55  30.0  1
 65L  Var_02    C24  C23  N22  C21   -61.91  30.0  1
 65L  Var_03    N22  C21  C20  C19   -56.77  30.0  1
 65L  Var_04    N22  C23  C24  C19    57.60  30.0  1
 65L  Var_05    C13  N12  C11  C10   -41.04  30.0  3
 65L  Var_06    C30  C11  N12  C13   141.35  30.0  2
 65L  Var_07    N29  C13  N12  C11   179.23  30.0  2
 65L  Var_08    C14  C13  N12  C11    -1.72  30.0  2
 65L  Var_09    C19  O18  C17  N16     4.50  30.0  2
 65L  Var_10    C25  C17  O18  C19  -175.73  30.0  3
 65L  Var_11    H19  N22  C21  C20  -177.04  30.0  1
 65L  Var_12    H21  C23  N22  C21   178.08  30.0  1
 65L  Var_13    H22  C23  N22  C21    59.75  30.0  1
 65L  Var_14    H19  N22  C23  C24   176.71  30.0  1
 65L  Var_15    H7   C21  C20  C19    67.03  30.0  1
 65L  Var_16    H8   C21  C20  C19  -176.64  30.0  1
 65L  Var_17    H21  C23  C24  C19   177.33  30.0  1
 65L  Var_18    H22  C23  C24  C19   -66.22  30.0  1
 65L  Var_19    H5   C20  C21  N22  -178.55  30.0  1
 65L  Var_20    H6   C20  C21  N22    63.41  30.0  1
 65L  Var_21    H9   C24  C23  N22   -62.79  30.0  1
 65L  Var_22    H10  C24  C23  N22   179.19  30.0  1
 65L  Var_23    H7   C21  N22  C23   -60.05  30.0  1
 65L  Var_24    H8   C21  N22  C23  -178.32  30.0  1
 65L  Var_25    O1   C2   C3   C4   -101.21  30.0  2
 65L  Var_26    N7   C3   C2   O1     77.08  30.0  2
 65L  Var_27    H14  C2   C3   C4    136.86  30.0  2
 65L  Var_28    H15  C2   C3   C4     20.42  30.0  2
 65L  Var_29    H4   N12  C11  C10   148.70  30.0  3
 65L  Var_30    H14  C2   C3   N7    -44.85  30.0  2
 65L  Var_31    H15  C2   C3   N7   -161.29  30.0  2
 65L  Var_32    H4   N12  C13  C14   168.85  30.0  1
 65L  Var_33    H4   N12  C13  N29   -10.20  30.0  1
 65L  Var_34    H4   N12  C11  C30   -28.92  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
 65L  chir_01  C19  O18  C20  C24  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
 65L  plan-1  C4   0.020
 65L  plan-1  C5   0.020
 65L  plan-1  C8   0.020
 65L  plan-1  C3   0.020
 65L  plan-1  N6   0.020
 65L  plan-1  N7   0.020
 65L  plan-1  H1   0.020
 65L  plan-1  H2   0.020
 65L  plan-1  C2   0.020
 65L  plan-2  C8   0.020
 65L  plan-2  C10  0.020
 65L  plan-2  N6   0.020
 65L  plan-2  C9   0.020
 65L  plan-2  C11  0.020
 65L  plan-2  C30  0.020
 65L  plan-2  F31  0.020
 65L  plan-2  C32  0.020
 65L  plan-2  H3   0.020
 65L  plan-2  H16  0.020
 65L  plan-2  H24  0.020
 65L  plan-2  N12  0.020
 65L  plan-3  C13  0.020
 65L  plan-3  C15  0.020
 65L  plan-3  C17  0.020
 65L  plan-3  C26  0.020
 65L  plan-3  C28  0.020
 65L  plan-3  C14  0.020
 65L  plan-3  N16  0.020
 65L  plan-3  O18  0.020
 65L  plan-3  C25  0.020
 65L  plan-3  C27  0.020
 65L  plan-3  N29  0.020
 65L  plan-3  H11  0.020
 65L  plan-3  H12  0.020
 65L  plan-3  H17  0.020
 65L  plan-3  H23  0.020
 65L  plan-3  N12  0.020

