# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Apr  5 06:47:25 2020
#   Inital geometry file: a 141 line input string
#   Ligand name: 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CNc1ncc2cc(c(C)nc2n1)c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C
#
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
 4Z5  4Z5  1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea  ligand  60  31  .  2021-08-04  2021-08-04  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_4Z5
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
 4Z5  O29  O  O     0  -0.523   2.2956  -0.7790  -0.5133
 4Z5  C23  C  C     0   0.733   3.0370   0.1361  -0.1864
 4Z5  N24  N  NH1   0  -0.689   4.3513  -0.0343   0.0702
 4Z5  C25  C  CH2   0  -0.238   5.0120  -1.3095  -0.1199
 4Z5  C26  C  CH2   0  -0.443   6.4176  -1.2418   0.4604
 4Z5  C27  C  CT    0  -0.094   7.2707  -2.5072   0.2826
 4Z5  C31  C  CH3   0  -0.645   7.5226  -2.7962  -1.1987
 4Z5  C30  C  CH3   0  -0.637   8.6142  -2.2604   0.9723
 4Z5  C28  C  CH3   0  -0.648   6.5954  -3.7160   0.9330
 4Z5  N22  N  NH1   0  -0.785   2.6040   1.4342  -0.0229
 4Z5  C16  C  CR6   0   0.204   1.3118   1.8904  -0.2696
 4Z5  C15  C  CR16  0  -0.309   0.1565   1.1553  -0.0090
 4Z5  C17  C  CR6   0   0.491   1.1307   3.1785  -0.7620
 4Z5  F20  F  F     0  -0.316   2.2247   3.9220  -1.0105
 4Z5  C18  C  CR16  0  -0.458  -0.1119   3.7253  -0.9908
 4Z5  C19  C  CR6   0   0.076  -1.2603   2.9799  -0.7465
 4Z5  C21  C  CH3   0  -0.743  -2.6166   3.5639  -1.0114
 4Z5  C12  C  CR6   0   0.002  -1.1073   1.6809  -0.2522
 4Z5  C8   C  CR6   0  -0.052  -2.2998   0.8450   0.0331
 4Z5  C7   C  CR16  0  -0.186  -2.8535   0.0480  -0.9319
 4Z5  C6   C  CR66  0  -0.110  -3.9855  -0.7197  -0.6225
 4Z5  C1   C  CR16  0  -0.022  -4.6534  -1.5740  -1.5215
 4Z5  C9   C  CR6   0   0.225  -2.9119   0.8543   1.3208
 4Z5  C11  C  CH3   0  -0.743  -2.3326   1.7109   2.4033
 4Z5  N10  N  N     0  -0.451  -3.9702   0.1390   1.6246
 4Z5  C5   C  CR66  0   0.370  -4.5246  -0.6480   0.6801
 4Z5  N4   N  N     0  -0.481  -5.6067  -1.3550   1.0234
 4Z5  C3   C  CR6   0   0.591  -6.1511  -2.1193   0.0893
 4Z5  N2   N  N     0  -0.449  -5.7070  -2.2607  -1.1912
 4Z5  N13  N  NH1   0  -0.639  -7.2408  -2.8251   0.4142
 4Z5  C14  C  CH3   0  -0.509  -7.9539  -3.6945  -0.4878
 4Z5  H1   H  HNH1  0   0.396   4.9352   0.7707   0.2326
 4Z5  H2   H  HCH2  0   0.235   4.4335  -2.0873   0.3810
 4Z5  H3   H  HCH2  0   0.228   5.0471  -1.5712  -1.1817
 4Z5  H4   H  HCH2  0   0.228   6.9503  -0.3996   0.0034
 4Z5  H5   H  HCH2  0   0.232   6.3419  -1.0158   1.5293
 4Z5  H6   H  HCH3  0   0.222   7.9662  -1.9338  -1.7014
 4Z5  H7   H  HCH3  0   0.226   8.2116  -3.6357  -1.3137
 4Z5  H8   H  HCH3  0   0.224   6.6060  -3.0564  -1.7306
 4Z5  H9   H  HCH3  0   0.222   9.1368  -1.4076   0.5327
 4Z5  H10  H  HCH3  0   0.222   8.4813  -2.0543   2.0368
 4Z5  H11  H  HCH3  0   0.224   9.2648  -3.1323   0.8811
 4Z5  H12  H  HCH3  0   0.227   7.2563  -4.5852   0.9073
 4Z5  H13  H  HCH3  0   0.223   6.3496  -3.5197   1.9792
 4Z5  H14  H  HCH3  0   0.226   5.6731  -3.9963   0.4212
 4Z5  H15  H  HNH1  0   0.406   3.3066   2.1439   0.1144
 4Z5  H16  H  HCR6  0   0.269   0.2383   0.1580   0.3959
 4Z5  H17  H  HCR6  0   0.274  -0.1807   4.7369  -1.3724
 4Z5  H18  H  HCH3  0   0.253  -3.1207   3.0448  -1.8285
 4Z5  H19  H  HCH3  0   0.245  -3.2690   3.4872  -0.1401
 4Z5  H20  H  HCH3  0   0.254  -2.5447   4.6160  -1.2816
 4Z5  H21  H  HCR6  0   0.269  -2.4294   0.0077  -1.9289
 4Z5  H22  H  HCR6  0   0.279  -4.2893  -1.6772  -2.5401
 4Z5  H23  H  HCH3  0   0.253  -2.2297   2.7471   2.0772
 4Z5  H24  H  HCH3  0   0.258  -2.9610   1.6830   3.2901
 4Z5  H25  H  HCH3  0   0.261  -1.3316   1.3684   2.6721
 4Z5  H26  H  HNH1  0   0.399  -7.5701  -2.7353   1.3603
 4Z5  H27  H  HCH3  0   0.237  -8.3015  -3.1639  -1.3744
 4Z5  H28  H  HCH3  0   0.235  -7.3460  -4.5396  -0.8140
 4Z5  H29  H  HCH3  0   0.252  -8.8207  -4.0832   0.0391

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
 4Z5  C28  C27  single    1.530  0.020  1.530
 4Z5  C30  C27  single    1.530  0.020  1.530
 4Z5  C27  C31  single    1.530  0.020  1.530
 4Z5  C27  C26  single    1.536  0.020  1.536
 4Z5  C26  C25  single    1.522  0.020  1.522
 4Z5  C25  N24  single    1.449  0.020  1.449
 4Z5  N24  C23  single    1.350  0.020  1.350
 4Z5  O29  C23  double    1.222  0.020  1.222
 4Z5  C23  N22  single    1.378  0.020  1.378
 4Z5  N22  C16  single    1.392  0.020  1.392
 4Z5  C16  C15  aromatic  1.394  0.020  1.394
 4Z5  C16  C17  aromatic  1.391  0.020  1.391
 4Z5  C15  C12  aromatic  1.390  0.020  1.390
 4Z5  F20  C17  single    1.346  0.020  1.346
 4Z5  C17  C18  aromatic  1.377  0.020  1.377
 4Z5  C12  C8   single    1.484  0.020  1.484
 4Z5  C12  C19  aromatic  1.398  0.020  1.398
 4Z5  C11  C9   single    1.497  0.020  1.497
 4Z5  C8   C9   aromatic  1.426  0.020  1.426
 4Z5  C8   C7   aromatic  1.369  0.020  1.369
 4Z5  C9   N10  aromatic  1.313  0.020  1.313
 4Z5  C7   C6   aromatic  1.402  0.020  1.402
 4Z5  N10  C5   aromatic  1.349  0.020  1.349
 4Z5  C6   C5   aromatic  1.412  0.020  1.412
 4Z5  C6   C1   aromatic  1.409  0.020  1.409
 4Z5  C5   N4   aromatic  1.337  0.020  1.337
 4Z5  C18  C19  aromatic  1.391  0.020  1.391
 4Z5  C1   N2   aromatic  1.300  0.020  1.300
 4Z5  N4   C3   aromatic  1.324  0.020  1.324
 4Z5  C19  C21  single    1.500  0.020  1.500
 4Z5  N2   C3   aromatic  1.363  0.020  1.363
 4Z5  C3   N13  single    1.338  0.020  1.338
 4Z5  N13  C14  single    1.441  0.020  1.441
 4Z5  N24  H1   single    0.860  0.020  1.020
 4Z5  C25  H2   single    0.970  0.020  1.090
 4Z5  C25  H3   single    0.970  0.020  1.090
 4Z5  C26  H4   single    0.970  0.020  1.090
 4Z5  C26  H5   single    0.970  0.020  1.090
 4Z5  C31  H6   single    0.970  0.020  1.090
 4Z5  C31  H7   single    0.970  0.020  1.090
 4Z5  C31  H8   single    0.970  0.020  1.090
 4Z5  C30  H9   single    0.970  0.020  1.090
 4Z5  C30  H10  single    0.970  0.020  1.090
 4Z5  C30  H11  single    0.970  0.020  1.090
 4Z5  C28  H12  single    0.970  0.020  1.090
 4Z5  C28  H13  single    0.970  0.020  1.090
 4Z5  C28  H14  single    0.970  0.020  1.090
 4Z5  N22  H15  single    0.860  0.020  1.020
 4Z5  C15  H16  single    0.930  0.020  1.080
 4Z5  C18  H17  single    0.930  0.020  1.080
 4Z5  C21  H18  single    0.970  0.020  1.090
 4Z5  C21  H19  single    0.970  0.020  1.090
 4Z5  C21  H20  single    0.970  0.020  1.090
 4Z5  C7   H21  single    0.930  0.020  1.080
 4Z5  C1   H22  single    0.930  0.020  1.080
 4Z5  C11  H23  single    0.970  0.020  1.090
 4Z5  C11  H24  single    0.970  0.020  1.090
 4Z5  C11  H25  single    0.970  0.020  1.090
 4Z5  N13  H26  single    0.860  0.020  1.020
 4Z5  C14  H27  single    0.970  0.020  1.090
 4Z5  C14  H28  single    0.970  0.020  1.090
 4Z5  C14  H29  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
 4Z5  N22  C23  N24  113.72  3.000
 4Z5  N22  C23  O29  123.12  3.000
 4Z5  N24  C23  O29  123.16  3.000
 4Z5  H1   N24  C25  117.39  3.000
 4Z5  H1   N24  C23  119.61  3.000
 4Z5  C25  N24  C23  122.02  3.000
 4Z5  H3   C25  H2   106.98  3.000
 4Z5  H3   C25  C26  110.55  3.000
 4Z5  H2   C25  C26  110.26  3.000
 4Z5  H3   C25  N24  110.64  3.000
 4Z5  H2   C25  N24  108.99  3.000
 4Z5  C26  C25  N24  109.39  3.000
 4Z5  H5   C26  H4   106.37  3.000
 4Z5  H5   C26  C27  108.73  3.000
 4Z5  H4   C26  C27  108.34  3.000
 4Z5  H5   C26  C25  108.51  3.000
 4Z5  H4   C26  C25  108.91  3.000
 4Z5  C27  C26  C25  115.59  3.000
 4Z5  C28  C27  C30  108.87  3.000
 4Z5  C30  C27  C31  108.80  3.000
 4Z5  C28  C27  C31  109.57  3.000
 4Z5  C31  C27  C26  111.04  3.000
 4Z5  C30  C27  C26  107.61  3.000
 4Z5  C28  C27  C26  110.89  3.000
 4Z5  H8   C31  H7   107.18  3.000
 4Z5  H8   C31  H6   107.77  3.000
 4Z5  H7   C31  H6   107.59  3.000
 4Z5  H8   C31  C27  112.25  3.000
 4Z5  H7   C31  C27  110.55  3.000
 4Z5  H6   C31  C27  111.30  3.000
 4Z5  H11  C30  H10  107.73  3.000
 4Z5  H11  C30  H9   107.74  3.000
 4Z5  H10  C30  H9   107.64  3.000
 4Z5  H11  C30  C27  110.90  3.000
 4Z5  H10  C30  C27  111.28  3.000
 4Z5  H9   C30  C27  111.38  3.000
 4Z5  H14  C28  H13  107.77  3.000
 4Z5  H14  C28  H12  107.22  3.000
 4Z5  H13  C28  H12  107.56  3.000
 4Z5  H14  C28  C27  112.12  3.000
 4Z5  H13  C28  C27  111.37  3.000
 4Z5  H12  C28  C27  110.59  3.000
 4Z5  H15  N22  C16  116.12  3.000
 4Z5  H15  N22  C23  117.41  3.000
 4Z5  C16  N22  C23  125.39  3.000
 4Z5  C17  C16  C15  116.53  3.000
 4Z5  C17  C16  N22  119.14  3.000
 4Z5  C15  C16  N22  124.28  3.000
 4Z5  H16  C15  C12  118.94  3.000
 4Z5  H16  C15  C16  119.64  3.000
 4Z5  C12  C15  C16  121.42  3.000
 4Z5  C18  C17  F20  118.92  3.000
 4Z5  C18  C17  C16  122.97  3.000
 4Z5  F20  C17  C16  118.11  3.000
 4Z5  H17  C18  C19  120.66  3.000
 4Z5  H17  C18  C17  119.12  3.000
 4Z5  C19  C18  C17  120.21  3.000
 4Z5  C12  C19  C21  121.53  3.000
 4Z5  C21  C19  C18  120.45  3.000
 4Z5  C12  C19  C18  118.01  3.000
 4Z5  H20  C21  H19  107.79  3.000
 4Z5  H20  C21  H18  107.72  3.000
 4Z5  H19  C21  H18  106.75  3.000
 4Z5  H20  C21  C19  111.12  3.000
 4Z5  H19  C21  C19  111.85  3.000
 4Z5  H18  C21  C19  111.38  3.000
 4Z5  C8   C12  C19  120.22  3.000
 4Z5  C19  C12  C15  120.83  3.000
 4Z5  C8   C12  C15  118.95  3.000
 4Z5  C9   C8   C7   117.84  3.000
 4Z5  C7   C8   C12  121.17  3.000
 4Z5  C9   C8   C12  120.99  3.000
 4Z5  H21  C7   C6   119.89  3.000
 4Z5  H21  C7   C8   120.78  3.000
 4Z5  C6   C7   C8   119.33  3.000
 4Z5  C5   C6   C1   116.02  3.000
 4Z5  C1   C6   C7   125.02  3.000
 4Z5  C5   C6   C7   118.96  3.000
 4Z5  H22  C1   N2   117.36  3.000
 4Z5  H22  C1   C6   119.80  3.000
 4Z5  N2   C1   C6   122.84  3.000
 4Z5  N10  C9   C11  117.15  3.000
 4Z5  N10  C9   C8   123.46  3.000
 4Z5  C11  C9   C8   119.39  3.000
 4Z5  H25  C11  H24  108.73  3.000
 4Z5  H25  C11  H23  106.56  3.000
 4Z5  H24  C11  H23  108.82  3.000
 4Z5  H25  C11  C9   110.69  3.000
 4Z5  H24  C11  C9   110.58  3.000
 4Z5  H23  C11  C9   111.33  3.000
 4Z5  C5   N10  C9   119.16  3.000
 4Z5  N4   C5   N10  117.47  3.000
 4Z5  N4   C5   C6   121.27  3.000
 4Z5  N10  C5   C6   121.25  3.000
 4Z5  C3   N4   C5   117.18  3.000
 4Z5  N13  C3   N2   116.02  3.000
 4Z5  N13  C3   N4   117.90  3.000
 4Z5  N2   C3   N4   126.07  3.000
 4Z5  C3   N2   C1   116.62  3.000
 4Z5  H26  N13  C14  118.72  3.000
 4Z5  H26  N13  C3   116.60  3.000
 4Z5  C14  N13  C3   124.68  3.000
 4Z5  H29  C14  H28  108.21  3.000
 4Z5  H29  C14  H27  108.31  3.000
 4Z5  H28  C14  H27  108.15  3.000
 4Z5  H29  C14  N13  107.88  3.000
 4Z5  H28  C14  N13  112.25  3.000
 4Z5  H27  C14  N13  111.91  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
 4Z5  CONST_01  C8   C12  C15  C16   180.00   0.0  0
 4Z5  CONST_02  C19  C12  C15  C16     0.00   0.0  0
 4Z5  CONST_03  C19  C18  C17  C16     0.00   0.0  0
 4Z5  CONST_04  C18  C17  C16  C15     0.00   0.0  0
 4Z5  CONST_07  C18  C19  C12  C15     0.00   0.0  0
 4Z5  CONST_08  C12  C15  C16  C17     0.00   0.0  0
 4Z5  CONST_09  C12  C19  C18  C17     0.00   0.0  0
 4Z5  CONST_10  C8   C12  C19  C18   180.00   0.0  0
 4Z5  CONST_13  N10  C9   C8   C12   180.00   0.0  0
 4Z5  CONST_14  C6   C7   C8   C12   180.00   0.0  0
 4Z5  CONST_15  C5   N10  C9   C8      0.00   0.0  0
 4Z5  CONST_16  C5   C6   C7   C8      0.00   0.0  0
 4Z5  CONST_17  C1   C6   C7   C8    180.00   0.0  0
 4Z5  CONST_18  N10  C9   C8   C7      0.00   0.0  0
 4Z5  CONST_19  N10  C5   C6   C7      0.00   0.0  0
 4Z5  CONST_20  N4   C5   C6   C7    180.00   0.0  0
 4Z5  CONST_21  N2   C1   C6   C7    180.00   0.0  0
 4Z5  CONST_22  C9   C8   C7   C6      0.00   0.0  0
 4Z5  CONST_23  C9   N10  C5   C6      0.00   0.0  0
 4Z5  CONST_24  C3   N4   C5   C6      0.00   0.0  0
 4Z5  CONST_25  C3   N2   C1   C6      0.00   0.0  0
 4Z5  CONST_26  N10  C5   C6   C1    180.00   0.0  0
 4Z5  CONST_27  N4   C5   C6   C1      0.00   0.0  0
 4Z5  CONST_28  N4   C3   N2   C1      0.00   0.0  0
 4Z5  CONST_29  N4   C5   N10  C9    180.00   0.0  0
 4Z5  CONST_30  C3   N4   C5   N10   180.00   0.0  0
 4Z5  CONST_31  N2   C1   C6   C5      0.00   0.0  0
 4Z5  CONST_32  N2   C3   N4   C5      0.00   0.0  0
 4Z5  CONST_33  C12  C15  C16  N22   180.00   0.0  0
 4Z5  CONST_34  C18  C17  C16  N22   180.00   0.0  0
 4Z5  CONST_35  F20  C17  C16  C15   180.00   0.0  0
 4Z5  CONST_36  C21  C19  C12  C15   180.00   0.0  0
 4Z5  CONST_37  C21  C19  C18  C17   180.00   0.0  0
 4Z5  CONST_38  C19  C18  C17  F20   180.00   0.0  0
 4Z5  CONST_39  C8   C12  C19  C21     0.00   0.0  0
 4Z5  CONST_40  C11  C9   C8   C12     0.00   0.0  0
 4Z5  CONST_41  C11  C9   C8   C7    180.00   0.0  0
 4Z5  CONST_42  N13  C3   N2   C1    180.00   0.0  0
 4Z5  CONST_43  C5   N10  C9   C11   180.00   0.0  0
 4Z5  CONST_44  N13  C3   N4   C5    180.00   0.0  0
 4Z5  CONST_45  H17  C18  C17  C16   180.00   0.0  0
 4Z5  CONST_46  H16  C15  C16  C17   180.00   0.0  0
 4Z5  CONST_47  H21  C7   C8   C12     0.00   0.0  0
 4Z5  CONST_48  H22  C1   C6   C7      0.00   0.0  0
 4Z5  CONST_51  C14  N13  C3   N4    180.00   0.0  0
 4Z5  CONST_52  C14  N13  C3   N2      0.00   0.0  0
 4Z5  CONST_54  H26  N13  C3   N4      0.00   0.0  0
 4Z5  CONST_55  C16  N22  C23  O29     0.00   0.0  0
 4Z5  CONST_56  C16  N22  C23  N24   180.00   0.0  0
 4Z5  CONST_57  C25  N24  C23  O29     0.00   0.0  0
 4Z5  CONST_58  N22  C23  N24  C25   180.00   0.0  0
 4Z5  CONST_59  H1   N24  C23  O29   180.00   0.0  0
 4Z5  Var_01    H18  C21  C19  C18   113.50  30.0  2
 4Z5  Var_02    H23  C11  C9   C8     53.51  30.0  2
 4Z5  Var_03    H27  C14  N13  C3    -57.78  30.0  3
 4Z5  Var_04    C26  C25  N24  C23  -170.98  30.0  1
 4Z5  Var_05    C27  C26  C25  N24  -177.54  30.0  2
 4Z5  Var_06    C28  C27  C26  C25   -58.94  30.0  3
 4Z5  Var_07    H12  C28  C27  C26  -173.36  30.0  3
 4Z5  Var_08    H9   C30  C27  C26   -60.20  30.0  3
 4Z5  Var_09    H6   C31  C27  C26    54.75  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
 4Z5  plan-1  N22  0.020
 4Z5  plan-1  C16  0.020
 4Z5  plan-1  C15  0.020
 4Z5  plan-1  C17  0.020
 4Z5  plan-1  F20  0.020
 4Z5  plan-1  C18  0.020
 4Z5  plan-1  C19  0.020
 4Z5  plan-1  C21  0.020
 4Z5  plan-1  C12  0.020
 4Z5  plan-1  C8   0.020
 4Z5  plan-1  H16  0.020
 4Z5  plan-1  H17  0.020
 4Z5  plan-2  C12  0.020
 4Z5  plan-2  C8   0.020
 4Z5  plan-2  C7   0.020
 4Z5  plan-2  C6   0.020
 4Z5  plan-2  C1   0.020
 4Z5  plan-2  C9   0.020
 4Z5  plan-2  C11  0.020
 4Z5  plan-2  N10  0.020
 4Z5  plan-2  C5   0.020
 4Z5  plan-2  N4   0.020
 4Z5  plan-2  C3   0.020
 4Z5  plan-2  N2   0.020
 4Z5  plan-2  N13  0.020
 4Z5  plan-2  H21  0.020
 4Z5  plan-2  H22  0.020
 4Z5  plan-3  O29  0.020
 4Z5  plan-3  C23  0.020
 4Z5  plan-3  N24  0.020
 4Z5  plan-3  C25  0.020
 4Z5  plan-3  N22  0.020
 4Z5  plan-3  C16  0.020
 4Z5  plan-3  H1   0.020
 4Z5  plan-3  H15  0.020
 4Z5  plan-4  C3   0.020
 4Z5  plan-4  N13  0.020
 4Z5  plan-4  C14  0.020
 4Z5  plan-4  H26  0.020

