# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon May 11 04:56:56 2020
#   Inital geometry file: a 167 line input string
#   Ligand name: 3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(3-methoxyphenyl)prop-2-ynamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1cccc(NC(=O)C#Cc2cc(ccc2OC)C3=NN(C(C)C)C(=O)[C@@H]4CC=CC[C@H]34)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
 K3W  K3W  3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(3-methoxyphenyl)prop-2-ynamide  ligand  64  35  .  2021-08-12  2021-08-12  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_K3W
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
 K3W  C1   C  CH3   0  -0.437   9.9420  -2.5158   0.5006
 K3W  C10  C  CR6   0  -0.187  -0.0340   1.2017   0.0815
 K3W  C11  C  CR6   0   0.376  -0.1366   2.6037  -0.0413
 K3W  C12  C  CH3   0  -0.444   0.9762   4.6858  -0.2269
 K3W  C13  C  CR16  0  -0.376  -1.3995   3.1816  -0.0861
 K3W  C14  C  CR16  0  -0.300  -2.5313   2.3838  -0.0166
 K3W  C15  C  CR6   0   0.037  -2.4506   0.9962   0.0902
 K3W  C16  C  CR16  0  -0.300  -1.1815   0.4217   0.1415
 K3W  C17  C  C     0   0.285  -3.6581   0.1570   0.1114
 K3W  C19  C  CH3   0  -0.655  -3.6022  -3.2246  -1.8987
 K3W  C2   C  CR6   0   0.411   8.0375  -1.1443   0.1545
 K3W  C20  C  CH3   0  -0.652  -3.4627  -4.0289   0.4910
 K3W  C21  C  C     0   0.597  -5.8032  -1.5967   0.4700
 K3W  C22  C  CH1   0  -0.400  -5.8635  -0.2146   1.0822
 K3W  C23  C  CH2   0  -0.466  -7.2847   0.2937   1.2679
 K3W  C24  C  C1    0  -0.227  -7.8645   0.8369  -0.0007
 K3W  C25  C  C1    0  -0.220  -7.1392   1.1362  -1.0739
 K3W  C26  C  CH2   0  -0.465  -5.6517   0.9785  -1.1431
 K3W  C27  C  CH1   0  -0.388  -5.0289   0.7479   0.2430
 K3W  C28  C  CR16  0  -0.427   6.6469  -1.0336   0.2410
 K3W  C3   C  CR16  0  -0.401   8.8064  -0.0904  -0.3281
 K3W  C4   C  CR16  0  -0.229   8.1627   1.0777  -0.7220
 K3W  C5   C  CR16  0  -0.368   6.7916   1.2069  -0.6438
 K3W  C6   C  CR6   0   0.390   6.0236   0.1418  -0.1580
 K3W  C7   C  C     0   0.332   3.6575  -0.4997   0.2743
 K3W  C8   C  CSP   0  -0.124   2.3468   0.1053   0.1920
 K3W  C9   C  CSP   0   0.335   1.2501   0.6035   0.1415
 K3W  N1   N  NH1   0  -0.744   4.6426   0.3496  -0.1069
 K3W  N2   N  N     0  -0.246  -3.5013  -1.1016  -0.0268
 K3W  N3   N  NT    0  -0.354  -4.5901  -1.9164  -0.0688
 K3W  O1   O  O2    0  -0.472   8.5433  -2.3217   0.5666
 K3W  O2   O  O     0  -0.444   3.8121  -1.6466   0.6525
 K3W  O3   O  O2    0  -0.446   1.0130   3.2733  -0.1014
 K3W  O4   O  O     0  -0.467  -6.7307  -2.3865   0.4927
 K3W  H1   H  HCH3  0   0.229  10.3148  -2.4479  -0.5246
 K3W  H2   H  HCH3  0   0.229  10.4843  -1.7977   1.1211
 K3W  H3   H  HCH3  0   0.260  10.1331  -3.5175   0.8771
 K3W  H4   H  HCH3  0   0.238   0.4704   4.9955  -1.1439
 K3W  H5   H  HCH3  0   0.238   0.4848   5.1536   0.6290
 K3W  H6   H  HCH3  0   0.267   2.0108   5.0147  -0.2645
 K3W  H7   H  HCR6  0   0.295  -1.5219   4.2516  -0.1757
 K3W  H8   H  HCR6  0   0.267  -3.4928   2.8775  -0.0586
 K3W  H9   H  HCR6  0   0.271  -1.0803  -0.6515   0.2306
 K3W  H10  H  HCH1  0   0.257  -5.2481  -3.7667  -0.6568
 K3W  H11  H  HCH3  0   0.231  -2.6053  -2.7900  -1.8294
 K3W  H12  H  HCH3  0   0.234  -3.5002  -4.2373  -2.2893
 K3W  H13  H  HCH3  0   0.234  -4.1826  -2.6446  -2.6170
 K3W  H14  H  HCH3  0   0.234  -3.9960  -4.1154   1.4381
 K3W  H15  H  HCH3  0   0.233  -3.2502  -5.0365   0.1327
 K3W  H16  H  HCH3  0   0.231  -2.5109  -3.5299   0.6762
 K3W  H17  H  HCH1  0   0.307  -5.3891  -0.3105   2.0681
 K3W  H18  H  HCH2  0   0.255  -7.9205  -0.5006   1.6616
 K3W  H19  H  HCH2  0   0.258  -7.2846   1.0753   2.0340
 K3W  H20  H  H     0   0.243  -8.9371   0.9948  -0.0224
 K3W  H21  H  H     0   0.242  -7.6293   1.5152  -1.9638
 K3W  H22  H  HCH2  0   0.251  -5.4055   0.1581  -1.8276
 K3W  H23  H  HCH2  0   0.263  -5.2076   1.8694  -1.5960
 K3W  H24  H  HCH1  0   0.287  -4.9911   1.7013   0.7738
 K3W  H25  H  HCR6  0   0.287   6.0840  -1.8718   0.6194
 K3W  H26  H  HCR6  0   0.280   9.8825  -0.1559  -0.4051
 K3W  H27  H  HCR6  0   0.265   8.7511   1.9039  -1.0990
 K3W  H28  H  HCR6  0   0.269   6.3114   2.1246  -0.9604
 K3W  H29  H  HNH1  0   0.425   4.3377   1.2610  -0.4160
 K3W  C18  C  CH1   0  -0.105  -4.2864  -3.2708  -0.5406

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
 K3W  C19  C18  single    1.521  0.020  1.521
 K3W  O4   C21  double    1.218  0.020  1.218
 K3W  C18  N3   single    1.466  0.020  1.466
 K3W  C18  C20  single    1.522  0.020  1.522
 K3W  C21  N3   single    1.365  0.020  1.365
 K3W  C21  C22  single    1.513  0.020  1.513
 K3W  N3   N2   single    1.361  0.020  1.361
 K3W  C1   O1   single    1.414  0.020  1.414
 K3W  O1   C2   single    1.346  0.020  1.346
 K3W  C3   C2   aromatic  1.391  0.020  1.391
 K3W  C3   C4   aromatic  1.391  0.020  1.391
 K3W  C23  C22  single    1.521  0.020  1.521
 K3W  C23  C24  single    1.497  0.020  1.497
 K3W  C22  C27  single    1.525  0.020  1.525
 K3W  C2   C28  aromatic  1.398  0.020  1.398
 K3W  C4   C5   aromatic  1.379  0.020  1.379
 K3W  N2   C17  double    1.276  0.020  1.276
 K3W  C28  C6   aromatic  1.389  0.020  1.389
 K3W  C5   C6   aromatic  1.400  0.020  1.400
 K3W  C24  C25  double    1.329  0.020  1.329
 K3W  C6   N1   single    1.398  0.020  1.398
 K3W  N1   C7   single    1.355  0.020  1.355
 K3W  C17  C27  single    1.499  0.020  1.499
 K3W  C17  C15  single    1.471  0.020  1.471
 K3W  C27  C26  single    1.537  0.020  1.537
 K3W  C25  C26  single    1.497  0.020  1.497
 K3W  C7   C8   single    1.446  0.020  1.446
 K3W  C7   O2   double    1.218  0.020  1.218
 K3W  C16  C15  aromatic  1.394  0.020  1.394
 K3W  C16  C10  aromatic  1.389  0.020  1.389
 K3W  C8   C9   triple    1.206  0.020  1.206
 K3W  C15  C14  aromatic  1.394  0.020  1.394
 K3W  C9   C10  single    1.418  0.020  1.418
 K3W  C10  C11  aromatic  1.411  0.020  1.411
 K3W  C14  C13  aromatic  1.387  0.020  1.387
 K3W  C11  C13  aromatic  1.390  0.020  1.390
 K3W  C11  O3   single    1.332  0.020  1.332
 K3W  O3   C12  single    1.419  0.020  1.419
 K3W  C1   H1   single    0.970  0.020  1.090
 K3W  C1   H2   single    0.970  0.020  1.090
 K3W  C1   H3   single    0.970  0.020  1.090
 K3W  C12  H4   single    0.970  0.020  1.090
 K3W  C12  H5   single    0.970  0.020  1.090
 K3W  C12  H6   single    0.970  0.020  1.090
 K3W  C13  H7   single    0.930  0.020  1.080
 K3W  C14  H8   single    0.930  0.020  1.080
 K3W  C16  H9   single    0.930  0.020  1.080
 K3W  C18  H10  single    0.970  0.020  1.090
 K3W  C19  H11  single    0.970  0.020  1.090
 K3W  C19  H12  single    0.970  0.020  1.090
 K3W  C19  H13  single    0.970  0.020  1.090
 K3W  C20  H14  single    0.970  0.020  1.090
 K3W  C20  H15  single    0.970  0.020  1.090
 K3W  C20  H16  single    0.970  0.020  1.090
 K3W  C22  H17  single    0.970  0.020  1.090
 K3W  C23  H18  single    0.970  0.020  1.090
 K3W  C23  H19  single    0.970  0.020  1.090
 K3W  C24  H20  single    0.930  0.020  1.080
 K3W  C25  H21  single    0.930  0.020  1.080
 K3W  C26  H22  single    0.970  0.020  1.090
 K3W  C26  H23  single    0.970  0.020  1.090
 K3W  C27  H24  single    0.970  0.020  1.090
 K3W  C28  H25  single    0.930  0.020  1.080
 K3W  C3   H26  single    0.930  0.020  1.080
 K3W  C4   H27  single    0.930  0.020  1.080
 K3W  C5   H28  single    0.930  0.020  1.080
 K3W  N1   H29  single    0.860  0.020  1.020

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
 K3W  H3   C1   H2   108.76  3.000
 K3W  H3   C1   H1   108.79  3.000
 K3W  H2   C1   H1   108.81  3.000
 K3W  H3   C1   O1   106.51  3.000
 K3W  H2   C1   O1   111.97  3.000
 K3W  H1   C1   O1   111.89  3.000
 K3W  C9   C10  C16  120.63  3.000
 K3W  C9   C10  C11  119.25  3.000
 K3W  C16  C10  C11  120.11  3.000
 K3W  O3   C11  C13  125.03  3.000
 K3W  O3   C11  C10  116.15  3.000
 K3W  C13  C11  C10  118.82  3.000
 K3W  H6   C12  H5   109.03  3.000
 K3W  H6   C12  H4   109.03  3.000
 K3W  H5   C12  H4   109.16  3.000
 K3W  H6   C12  O3   106.25  3.000
 K3W  H5   C12  O3   111.65  3.000
 K3W  H4   C12  O3   111.63  3.000
 K3W  H7   C13  C14  118.78  3.000
 K3W  H7   C13  C11  121.16  3.000
 K3W  C14  C13  C11  120.06  3.000
 K3W  H8   C14  C15  120.59  3.000
 K3W  H8   C14  C13  117.45  3.000
 K3W  C15  C14  C13  121.96  3.000
 K3W  C17  C15  C16  120.78  3.000
 K3W  C16  C15  C14  117.76  3.000
 K3W  C17  C15  C14  121.44  3.000
 K3W  H9   C16  C15  119.81  3.000
 K3W  H9   C16  C10  118.91  3.000
 K3W  C15  C16  C10  121.28  3.000
 K3W  N2   C17  C27  120.73  3.000
 K3W  C27  C17  C15  121.82  3.000
 K3W  N2   C17  C15  117.42  3.000
 K3W  H13  C19  H12  107.93  3.000
 K3W  H13  C19  H11  108.46  3.000
 K3W  H12  C19  H11  107.92  3.000
 K3W  H13  C19  C18  111.40  3.000
 K3W  H12  C19  C18  109.49  3.000
 K3W  H11  C19  C18  111.52  3.000
 K3W  O1   C2   C3   124.14  3.000
 K3W  C3   C2   C28  120.76  3.000
 K3W  O1   C2   C28  115.10  3.000
 K3W  H16  C20  H15  107.97  3.000
 K3W  H16  C20  H14  108.40  3.000
 K3W  H15  C20  H14  107.91  3.000
 K3W  H16  C20  C18  111.07  3.000
 K3W  H15  C20  C18  110.06  3.000
 K3W  H14  C20  C18  111.31  3.000
 K3W  O4   C21  N3   122.14  3.000
 K3W  N3   C21  C22  114.15  3.000
 K3W  O4   C21  C22  123.66  3.000
 K3W  H17  C22  C27  108.21  3.000
 K3W  H17  C22  C23  108.86  3.000
 K3W  C27  C22  C23  111.57  3.000
 K3W  H17  C22  C21  105.44  3.000
 K3W  C27  C22  C21  109.39  3.000
 K3W  C23  C22  C21  113.08  3.000
 K3W  H19  C23  H18  105.51  3.000
 K3W  H19  C23  C24  109.51  3.000
 K3W  H18  C23  C24  110.14  3.000
 K3W  H19  C23  C22  108.92  3.000
 K3W  H18  C23  C22  110.21  3.000
 K3W  C24  C23  C22  112.32  3.000
 K3W  H20  C24  C25  119.39  3.000
 K3W  H20  C24  C23  116.93  3.000
 K3W  C25  C24  C23  123.68  3.000
 K3W  H21  C25  C26  116.61  3.000
 K3W  H21  C25  C24  119.64  3.000
 K3W  C26  C25  C24  123.75  3.000
 K3W  H23  C26  H22  105.06  3.000
 K3W  H23  C26  C27  109.34  3.000
 K3W  H22  C26  C27  111.09  3.000
 K3W  H23  C26  C25  109.68  3.000
 K3W  H22  C26  C25  109.31  3.000
 K3W  C27  C26  C25  112.12  3.000
 K3W  H24  C27  C26  108.75  3.000
 K3W  H24  C27  C22  107.61  3.000
 K3W  C26  C27  C22  111.66  3.000
 K3W  H24  C27  C17  110.81  3.000
 K3W  C26  C27  C17  110.52  3.000
 K3W  C22  C27  C17  107.46  3.000
 K3W  H25  C28  C6   121.63  3.000
 K3W  H25  C28  C2   118.65  3.000
 K3W  C6   C28  C2   119.72  3.000
 K3W  H26  C3   C4   119.44  3.000
 K3W  H26  C3   C2   121.95  3.000
 K3W  C4   C3   C2   118.61  3.000
 K3W  H27  C4   C5   119.25  3.000
 K3W  H27  C4   C3   119.23  3.000
 K3W  C5   C4   C3   121.51  3.000
 K3W  H28  C5   C6   120.19  3.000
 K3W  H28  C5   C4   120.23  3.000
 K3W  C6   C5   C4   119.58  3.000
 K3W  N1   C6   C5   116.21  3.000
 K3W  N1   C6   C28  123.97  3.000
 K3W  C5   C6   C28  119.82  3.000
 K3W  O2   C7   N1   125.83  3.000
 K3W  O2   C7   C8   121.80  3.000
 K3W  N1   C7   C8   112.38  3.000
 K3W  C9   C8   C7   180.00  3.000
 K3W  C8   C9   C10  180.00  3.000
 K3W  H29  N1   C7   115.62  3.000
 K3W  H29  N1   C6   114.92  3.000
 K3W  C7   N1   C6   129.45  3.000
 K3W  N3   N2   C17  119.72  3.000
 K3W  N2   N3   C21  123.96  3.000
 K3W  N2   N3   C18  113.42  3.000
 K3W  C21  N3   C18  121.83  3.000
 K3W  C2   O1   C1   118.52  3.000
 K3W  C12  O3   C11  118.83  3.000
 K3W  H10  C18  N3   105.80  3.000
 K3W  H10  C18  C20  108.88  3.000
 K3W  N3   C18  C20  110.74  3.000
 K3W  H10  C18  C19  108.42  3.000
 K3W  C20  C18  C19  112.13  3.000
 K3W  N3   C18  C19  110.63  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
 K3W  CONST_01  C14  C15  C16  C10     0.00   0.0  0
 K3W  CONST_02  C14  C13  C11  C10     0.00   0.0  0
 K3W  CONST_03  C15  C16  C10  C11     0.00   0.0  0
 K3W  CONST_04  C15  C14  C13  C11     0.00   0.0  0
 K3W  CONST_05  C16  C15  C14  C13     0.00   0.0  0
 K3W  CONST_06  C16  C10  C11  C13     0.00   0.0  0
 K3W  CONST_07  C5   C4   C3   C2      0.00   0.0  0
 K3W  CONST_08  C5   C6   C28  C2      0.00   0.0  0
 K3W  CONST_09  C4   C3   C2   C28     0.00   0.0  0
 K3W  CONST_10  C4   C5   C6   C28     0.00   0.0  0
 K3W  CONST_11  C6   C28  C2   C3      0.00   0.0  0
 K3W  CONST_12  C6   C5   C4   C3      0.00   0.0  0
 K3W  CONST_13  C17  C15  C16  C10   180.00   0.0  0
 K3W  CONST_14  C17  C15  C14  C13   180.00   0.0  0
 K3W  CONST_15  N2   N3   C21  C22     0.00   0.0  0
 K3W  CONST_16  C9   C10  C11  C13   180.00   0.0  0
 K3W  CONST_17  O3   C11  C13  C14   180.00   0.0  0
 K3W  CONST_18  C9   C10  C16  C15   180.00   0.0  0
 K3W  CONST_19  O3   C11  C10  C16   180.00   0.0  0
 K3W  CONST_20  N1   C6   C28  C2    180.00   0.0  0
 K3W  CONST_21  O1   C2   C3   C4    180.00   0.0  0
 K3W  CONST_22  N1   C6   C5   C4    180.00   0.0  0
 K3W  CONST_23  O1   C2   C28  C6    180.00   0.0  0
 K3W  CONST_24  C22  C21  N3   C18   180.00   0.0  0
 K3W  CONST_25  O4   C21  N3   N2    180.00   0.0  0
 K3W  CONST_26  H7   C13  C11  C10   180.00   0.0  0
 K3W  CONST_27  H9   C16  C10  C11   180.00   0.0  0
 K3W  CONST_28  H8   C14  C13  C11   180.00   0.0  0
 K3W  CONST_29  H27  C4   C3   C2    180.00   0.0  0
 K3W  CONST_30  H26  C3   C2   C28   180.00   0.0  0
 K3W  CONST_31  H28  C5   C6   C28   180.00   0.0  0
 K3W  CONST_32  H25  C28  C2   C3    180.00   0.0  0
 K3W  CONST_33  C7   N1   C6   C28     0.00   0.0  0
 K3W  CONST_34  C7   N1   C6   C5    180.00   0.0  0
 K3W  CONST_35  O4   C21  N3   C18     0.00   0.0  0
 K3W  CONST_36  H29  N1   C6   C28   180.00   0.0  0
 K3W  CONST_37  C8   C7   N1   C6    180.00   0.0  0
 K3W  CONST_38  O2   C7   N1   C6      0.00   0.0  0
 K3W  Var_01    N2   C17  C15  C14   167.91  30.0  2
 K3W  Var_02    C21  N3   N2   C17   -23.64  30.0  1
 K3W  Var_03    C25  C24  C23  C22   -14.93  30.0  1
 K3W  Var_04    C26  C25  C24  C23    -0.56  30.0  1
 K3W  Var_05    C27  C26  C25  C24   -13.18  30.0  1
 K3W  Var_06    C3   C2   O1   C1     -0.49  30.0  2
 K3W  Var_07    C13  C11  O3   C12    -0.29  30.0  1
 K3W  Var_08    H4   C12  O3   C11   -60.82  30.0  3
 K3W  Var_09    H1   C1   O1   C2    -61.31  30.0  3
 K3W  Var_10    H11  C19  C18  N3     67.82  30.0  3
 K3W  Var_11    H14  C20  C18  N3     59.95  30.0  3
 K3W  Var_12    N1   C7   C8   C9   -131.07  30.0  2

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
 K3W  chir_01  C22  C21  C23  C27  positiv
 K3W  chir_02  C27  C26  C17  C22  positiv

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
 K3W  plan-1  C10  0.020
 K3W  plan-1  C11  0.020
 K3W  plan-1  C13  0.020
 K3W  plan-1  C14  0.020
 K3W  plan-1  C15  0.020
 K3W  plan-1  C16  0.020
 K3W  plan-1  C17  0.020
 K3W  plan-1  C8   0.020
 K3W  plan-1  C9   0.020
 K3W  plan-1  O3   0.020
 K3W  plan-1  H7   0.020
 K3W  plan-1  H8   0.020
 K3W  plan-1  H9   0.020
 K3W  plan-2  C2   0.020
 K3W  plan-2  C28  0.020
 K3W  plan-2  C3   0.020
 K3W  plan-2  C4   0.020
 K3W  plan-2  C5   0.020
 K3W  plan-2  C6   0.020
 K3W  plan-2  N1   0.020
 K3W  plan-2  O1   0.020
 K3W  plan-2  H25  0.020
 K3W  plan-2  H26  0.020
 K3W  plan-2  H27  0.020
 K3W  plan-2  H28  0.020
 K3W  plan-3  C6   0.020
 K3W  plan-3  C7   0.020
 K3W  plan-3  C8   0.020
 K3W  plan-3  N1   0.020
 K3W  plan-3  O2   0.020
 K3W  plan-3  H29  0.020
 K3W  plan-4  C21  0.020
 K3W  plan-4  C22  0.020
 K3W  plan-4  N2   0.020
 K3W  plan-4  N3   0.020
 K3W  plan-4  O4   0.020
 K3W  plan-4  C18  0.020

