# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Apr 19 05:24:42 2020
#   Inital geometry file: a 158 line input string
#   Ligand name: ~{N}-[4-[2-[(3-cyanophenyl)methoxy]pyridin-3-yl]thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC[S](=O)(=O)c1ccc(CC(=O)Nc2scc(c2)c3cccnc3OCc4cccc(c4)C#N)cc1
#
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
 8Y5  8Y5  ~{N}-[4-[2-[(3-cyanophenyl)methoxy]pyridin-3-yl]thiophen-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide  ligand  59  36  .  2021-08-06  2021-08-06  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_8Y5
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
 8Y5  C1   C  CSP   0   0.056    4.9650   4.5860   1.6083
 8Y5  C2   C  CR16  0  -0.231    5.7018   3.8016  -1.9333
 8Y5  C3   C  CR16  0  -0.340    5.6664  -4.3093   0.4303
 8Y5  C7   C  CR16  0  -0.291   -4.8109  -0.6599  -1.7291
 8Y5  C8   C  CR16  0  -0.277   -4.8157  -1.3530   0.5684
 8Y5  C9   C  CR16  0  -0.218   -5.9313   0.1242  -1.5044
 8Y5  C10  C  CR16  0  -0.218   -5.9322  -0.5718   0.8127
 8Y5  C11  C  CR16  0  -0.279    5.7852   2.5509   0.5486
 8Y5  C12  C  CR15  0  -0.345    1.7768  -2.4940  -0.2845
 8Y5  C13  C  CR16  0  -0.060    6.7673  -3.5072   0.2218
 8Y5  C14  C  CR15  0  -0.591    2.6215  -0.4374   0.3413
 8Y5  C15  C  CR6   0   0.023    5.3584   3.8716   0.4362
 8Y5  C16  C  CR6   0  -0.071    4.2725  -2.3544   0.1359
 8Y5  C19  C  CR6   0   0.098    6.1690   1.8481  -0.5861
 8Y5  C20  C  CR6   0  -0.190   -6.4806   0.1618  -0.2311
 8Y5  C21  C  CR6   0   0.497    5.4802  -1.6461  -0.0528
 8Y5  C22  C  CR5   0   0.123    0.6345  -1.7537  -0.2611
 8Y5  C24  C  CH3   0  -0.672  -10.6108   0.7670  -0.0081
 8Y5  C27  C  CH2   0  -0.588   -9.2895   0.0412  -0.1965
 8Y5  N29  N  N     0  -0.461    6.6700  -2.2007  -0.0165
 8Y5  C4   C  CR16  0  -0.247    5.3142   4.5044  -0.8068
 8Y5  C5   C  CR16  0  -0.204    4.4113  -3.7130   0.3838
 8Y5  C6   C  CR16  0  -0.277    6.1226   2.4820  -1.8227
 8Y5  C17  C  CR5   0   0.229    2.9403  -1.7378   0.0660
 8Y5  C18  C  CR6   0   0.163   -4.2433  -1.4028  -0.6997
 8Y5  C23  C  C     0   0.568   -1.7556  -1.4687  -0.5631
 8Y5  C25  C  CH2   0  -0.704   -3.0142  -2.2248  -0.9386
 8Y5  C26  C  CH2   0  -0.237    6.5893   0.4135  -0.4661
 8Y5  N28  N  NS    0  -0.249    4.6463   5.1625   2.5535
 8Y5  O31  O  O     0  -0.451   -1.7339  -0.2823  -0.2952
 8Y5  O32  O  OS    0  -0.672   -7.9124   1.5666   1.4716
 8Y5  O33  O  OS    0  -0.673   -7.9686   2.2028  -0.9580
 8Y5  O34  O  O2    0  -0.467    5.3897  -0.3359  -0.2906
 8Y5  S35  S  S2    0   0.255    0.9423  -0.1156   0.1884
 8Y5  H1   H  HCR6  0   0.278    5.6726   4.2810  -2.9020
 8Y5  H2   H  HCR6  0   0.269    5.7777  -5.3664   0.6244
 8Y5  H3   H  HCR6  0   0.269   -4.3768  -0.6910  -2.7204
 8Y5  H4   H  HCR6  0   0.269   -4.3830  -1.9281   1.3775
 8Y5  H5   H  HCR6  0   0.284   -6.3607   0.6986  -2.3138
 8Y5  H6   H  HCR6  0   0.284   -6.3595  -0.5361   1.8058
 8Y5  H7   H  HCR6  0   0.281    5.8223   2.0781   1.5223
 8Y5  H8   H  HCR5  0   0.273    1.7872  -3.5375  -0.5677
 8Y5  H9   H  HCR6  0   0.267    7.7698  -3.9181   0.2444
 8Y5  H10  H  HCR5  0   0.286    3.2736   0.3643   0.6442
 8Y5  H11  H  HCH3  0   0.250  -10.7089   1.1690   0.9987
 8Y5  H12  H  HCH3  0   0.250  -10.7322   1.5770  -0.7248
 8Y5  H13  H  HCH3  0   0.266  -11.4237   0.0595  -0.1644
 8Y5  H14  H  HCH2  0   0.299   -9.1723  -0.7779   0.5143
 8Y5  H15  H  HCH2  0   0.300   -9.1841  -0.3590  -1.2056
 8Y5  H16  H  HCR6  0   0.285    4.9840   5.5313  -0.8841
 8Y5  H17  H  HCR6  0   0.269    3.5311  -4.3184   0.5558
 8Y5  H18  H  HCR6  0   0.273    6.4196   1.9412  -2.7126
 8Y5  H19  H  HCH2  0   0.306   -3.0565  -3.1579  -0.3714
 8Y5  H20  H  HCH2  0   0.316   -2.9373  -2.5086  -1.9921
 8Y5  H21  H  HCH2  0   0.249    7.1203   0.0840  -1.3620
 8Y5  H22  H  HCH2  0   0.251    7.2566   0.2732   0.3872
 8Y5  H23  H  HNH1  0   0.431   -0.7041  -3.2056  -0.7797
 8Y5  N30  N  NH1   0  -0.710   -0.6316  -2.2234  -0.5579
 8Y5  S36  S  S     0   1.207   -7.9143   1.1596   0.0665

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
 8Y5  N28  C1   triple    1.152  0.020  1.152
 8Y5  C3   C13  aromatic  1.378  0.020  1.378
 8Y5  C3   C5   aromatic  1.390  0.020  1.390
 8Y5  C13  N29  aromatic  1.332  0.020  1.332
 8Y5  C1   C15  single    1.428  0.020  1.428
 8Y5  O32  S36  double    1.463  0.020  1.463
 8Y5  C5   C16  aromatic  1.388  0.020  1.388
 8Y5  N29  C21  aromatic  1.313  0.020  1.313
 8Y5  C24  C27  single    1.519  0.020  1.519
 8Y5  C15  C11  aromatic  1.392  0.020  1.392
 8Y5  C15  C4   aromatic  1.396  0.020  1.396
 8Y5  C11  C19  aromatic  1.389  0.020  1.389
 8Y5  C27  S36  single    1.792  0.020  1.792
 8Y5  C21  C16  aromatic  1.413  0.020  1.413
 8Y5  C21  O34  single    1.335  0.020  1.335
 8Y5  S36  O33  double    1.463  0.020  1.463
 8Y5  S36  C20  single    1.772  0.020  1.772
 8Y5  C16  C17  single    1.470  0.020  1.470
 8Y5  C4   C2   aromatic  1.383  0.020  1.383
 8Y5  C9   C20  aromatic  1.387  0.020  1.387
 8Y5  C9   C7   aromatic  1.386  0.020  1.386
 8Y5  C19  C26  single    1.500  0.020  1.500
 8Y5  C19  C6   aromatic  1.390  0.020  1.390
 8Y5  O34  C26  single    1.425  0.020  1.425
 8Y5  C17  C12  aromatic  1.431  0.020  1.431
 8Y5  C17  C14  aromatic  1.367  0.020  1.367
 8Y5  C20  C10  aromatic  1.389  0.020  1.389
 8Y5  C2   C6   aromatic  1.389  0.020  1.389
 8Y5  C12  C22  aromatic  1.361  0.020  1.361
 8Y5  C7   C18  aromatic  1.391  0.020  1.391
 8Y5  C14  S35  aromatic  1.717  0.020  1.717
 8Y5  C22  S35  aromatic  1.726  0.020  1.726
 8Y5  C22  N30  single    1.383  0.020  1.383
 8Y5  C10  C8   aromatic  1.384  0.020  1.384
 8Y5  C18  C8   aromatic  1.392  0.020  1.392
 8Y5  C18  C25  single    1.498  0.020  1.498
 8Y5  N30  C23  single    1.354  0.020  1.354
 8Y5  C23  C25  single    1.516  0.020  1.516
 8Y5  C23  O31  double    1.217  0.020  1.217
 8Y5  C2   H1   single    0.930  0.020  1.080
 8Y5  C3   H2   single    0.930  0.020  1.080
 8Y5  C7   H3   single    0.930  0.020  1.080
 8Y5  C8   H4   single    0.930  0.020  1.080
 8Y5  C9   H5   single    0.930  0.020  1.080
 8Y5  C10  H6   single    0.930  0.020  1.080
 8Y5  C11  H7   single    0.930  0.020  1.080
 8Y5  C12  H8   single    0.930  0.020  1.080
 8Y5  C13  H9   single    0.930  0.020  1.080
 8Y5  C14  H10  single    0.930  0.020  1.080
 8Y5  C24  H11  single    0.970  0.020  1.090
 8Y5  C24  H12  single    0.970  0.020  1.090
 8Y5  C24  H13  single    0.970  0.020  1.090
 8Y5  C27  H14  single    0.970  0.020  1.090
 8Y5  C27  H15  single    0.970  0.020  1.090
 8Y5  C4   H16  single    0.930  0.020  1.080
 8Y5  C5   H17  single    0.930  0.020  1.080
 8Y5  C6   H18  single    0.930  0.020  1.080
 8Y5  C25  H19  single    0.970  0.020  1.090
 8Y5  C25  H20  single    0.970  0.020  1.090
 8Y5  C26  H21  single    0.970  0.020  1.090
 8Y5  C26  H22  single    0.970  0.020  1.090
 8Y5  N30  H23  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
 8Y5  N28  C1   C15  180.00  3.000
 8Y5  H1   C2   C6   120.04  3.000
 8Y5  H1   C2   C4   119.79  3.000
 8Y5  C6   C2   C4   120.17  3.000
 8Y5  H2   C3   C5   121.24  3.000
 8Y5  H2   C3   C13  120.95  3.000
 8Y5  C5   C3   C13  117.81  3.000
 8Y5  H3   C7   C18  119.92  3.000
 8Y5  H3   C7   C9   119.27  3.000
 8Y5  C18  C7   C9   120.81  3.000
 8Y5  H4   C8   C18  119.82  3.000
 8Y5  H4   C8   C10  119.34  3.000
 8Y5  C18  C8   C10  120.83  3.000
 8Y5  H5   C9   C20  121.02  3.000
 8Y5  H5   C9   C7   120.01  3.000
 8Y5  C20  C9   C7   118.97  3.000
 8Y5  H6   C10  C20  121.11  3.000
 8Y5  H6   C10  C8   119.95  3.000
 8Y5  C20  C10  C8   118.94  3.000
 8Y5  H7   C11  C19  120.27  3.000
 8Y5  H7   C11  C15  119.81  3.000
 8Y5  C19  C11  C15  119.92  3.000
 8Y5  H8   C12  C17  124.49  3.000
 8Y5  H8   C12  C22  122.50  3.000
 8Y5  C17  C12  C22  112.99  3.000
 8Y5  H9   C13  N29  116.32  3.000
 8Y5  H9   C13  C3   121.01  3.000
 8Y5  N29  C13  C3   122.67  3.000
 8Y5  H10  C14  S35  118.54  3.000
 8Y5  H10  C14  C17  128.58  3.000
 8Y5  S35  C14  C17  112.87  3.000
 8Y5  C4   C15  C11  120.77  3.000
 8Y5  C4   C15  C1   119.70  3.000
 8Y5  C11  C15  C1   119.52  3.000
 8Y5  C17  C16  C5   120.66  3.000
 8Y5  C17  C16  C21  123.94  3.000
 8Y5  C5   C16  C21  115.40  3.000
 8Y5  C26  C19  C6   121.11  3.000
 8Y5  C6   C19  C11  119.12  3.000
 8Y5  C26  C19  C11  119.75  3.000
 8Y5  S36  C20  C10  119.39  3.000
 8Y5  C10  C20  C9   121.28  3.000
 8Y5  S36  C20  C9   119.33  3.000
 8Y5  O34  C21  N29  118.75  3.000
 8Y5  O34  C21  C16  117.25  3.000
 8Y5  N29  C21  C16  124.00  3.000
 8Y5  S35  C22  N30  122.79  3.000
 8Y5  N30  C22  C12  125.44  3.000
 8Y5  S35  C22  C12  111.77  3.000
 8Y5  H13  C24  H12  107.80  3.000
 8Y5  H13  C24  H11  107.78  3.000
 8Y5  H12  C24  H11  108.91  3.000
 8Y5  H13  C24  C27  108.73  3.000
 8Y5  H12  C24  C27  111.77  3.000
 8Y5  H11  C24  C27  111.69  3.000
 8Y5  H15  C27  H14  108.48  3.000
 8Y5  H15  C27  S36  106.90  3.000
 8Y5  H14  C27  S36  106.89  3.000
 8Y5  H15  C27  C24  111.97  3.000
 8Y5  H14  C27  C24  111.80  3.000
 8Y5  S36  C27  C24  110.55  3.000
 8Y5  C21  N29  C13  119.05  3.000
 8Y5  H16  C4   C15  120.26  3.000
 8Y5  H16  C4   C2   120.66  3.000
 8Y5  C15  C4   C2   119.09  3.000
 8Y5  H17  C5   C16  119.65  3.000
 8Y5  H17  C5   C3   119.28  3.000
 8Y5  C16  C5   C3   121.07  3.000
 8Y5  H18  C6   C19  119.61  3.000
 8Y5  H18  C6   C2   119.46  3.000
 8Y5  C19  C6   C2   120.93  3.000
 8Y5  C16  C17  C14  126.94  3.000
 8Y5  C14  C17  C12  111.25  3.000
 8Y5  C16  C17  C12  121.79  3.000
 8Y5  C25  C18  C8   120.15  3.000
 8Y5  C25  C18  C7   120.67  3.000
 8Y5  C8   C18  C7   119.17  3.000
 8Y5  O31  C23  N30  121.87  3.000
 8Y5  O31  C23  C25  123.77  3.000
 8Y5  N30  C23  C25  114.35  3.000
 8Y5  H20  C25  H19  106.33  3.000
 8Y5  H20  C25  C23  108.04  3.000
 8Y5  H19  C25  C23  109.24  3.000
 8Y5  H20  C25  C18  110.72  3.000
 8Y5  H19  C25  C18  110.74  3.000
 8Y5  C23  C25  C18  111.61  3.000
 8Y5  H22  C26  H21  107.76  3.000
 8Y5  H22  C26  O34  110.51  3.000
 8Y5  H21  C26  O34  110.58  3.000
 8Y5  H22  C26  C19  110.89  3.000
 8Y5  H21  C26  C19  111.05  3.000
 8Y5  O34  C26  C19  106.08  3.000
 8Y5  C26  O34  C21  118.75  3.000
 8Y5  C22  S35  C14   91.13  3.000
 8Y5  H23  N30  C23  118.81  3.000
 8Y5  H23  N30  C22  116.32  3.000
 8Y5  C23  N30  C22  124.87  3.000
 8Y5  O33  S36  O32  118.31  3.000
 8Y5  O33  S36  C27  108.28  3.000
 8Y5  O32  S36  C27  108.40  3.000
 8Y5  O33  S36  C20  108.30  3.000
 8Y5  C27  S36  C20  104.17  3.000
 8Y5  O32  S36  C20  108.48  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
 8Y5  CONST_01  C11  C15  C4   C2      0.00   0.0  0
 8Y5  CONST_02  C11  C19  C6   C2      0.00   0.0  0
 8Y5  CONST_03  C21  N29  C13  C3      0.00   0.0  0
 8Y5  CONST_04  C21  C16  C5   C3      0.00   0.0  0
 8Y5  CONST_05  C17  C16  C5   C3    180.00   0.0  0
 8Y5  CONST_06  C10  C20  C9   C7      0.00   0.0  0
 8Y5  CONST_07  C10  C8   C18  C7      0.00   0.0  0
 8Y5  CONST_08  C9   C20  C10  C8      0.00   0.0  0
 8Y5  CONST_09  C9   C7   C18  C8      0.00   0.0  0
 8Y5  CONST_12  S35  C14  C17  C12     0.00   0.0  0
 8Y5  CONST_13  C14  S35  C22  C12     0.00   0.0  0
 8Y5  CONST_14  C16  C5   C3   C13     0.00   0.0  0
 8Y5  CONST_15  C16  C21  N29  C13     0.00   0.0  0
 8Y5  CONST_18  C22  C12  C17  C14     0.00   0.0  0
 8Y5  CONST_19  C6   C19  C11  C15     0.00   0.0  0
 8Y5  CONST_20  C6   C2   C4   C15     0.00   0.0  0
 8Y5  CONST_21  C22  C12  C17  C16   180.00   0.0  0
 8Y5  CONST_22  S35  C14  C17  C16   180.00   0.0  0
 8Y5  CONST_23  C4   C15  C11  C19     0.00   0.0  0
 8Y5  CONST_24  C4   C2   C6   C19     0.00   0.0  0
 8Y5  CONST_25  C18  C7   C9   C20     0.00   0.0  0
 8Y5  CONST_26  C18  C8   C10  C20     0.00   0.0  0
 8Y5  CONST_27  C17  C14  S35  C22     0.00   0.0  0
 8Y5  CONST_28  C5   C3   C13  N29     0.00   0.0  0
 8Y5  CONST_29  C5   C16  C21  N29     0.00   0.0  0
 8Y5  CONST_30  C17  C16  C21  N29   180.00   0.0  0
 8Y5  CONST_31  S35  C22  C12  C17     0.00   0.0  0
 8Y5  CONST_32  C19  C11  C15  C1    180.00   0.0  0
 8Y5  CONST_33  C2   C4   C15  C1    180.00   0.0  0
 8Y5  CONST_34  C26  C19  C6   C2    180.00   0.0  0
 8Y5  CONST_35  S36  C20  C9   C7    180.00   0.0  0
 8Y5  CONST_36  S36  C20  C10  C8    180.00   0.0  0
 8Y5  CONST_37  C25  C18  C7   C9    180.00   0.0  0
 8Y5  CONST_38  C25  C18  C8   C10   180.00   0.0  0
 8Y5  CONST_39  O34  C21  N29  C13   180.00   0.0  0
 8Y5  CONST_40  N30  C22  S35  C14   180.00   0.0  0
 8Y5  CONST_41  C26  C19  C11  C15   180.00   0.0  0
 8Y5  CONST_42  O34  C21  C16  C5    180.00   0.0  0
 8Y5  CONST_43  O34  C21  C16  C17     0.00   0.0  0
 8Y5  CONST_44  N30  C22  C12  C17   180.00   0.0  0
 8Y5  CONST_45  H4   C8   C18  C7    180.00   0.0  0
 8Y5  CONST_46  H3   C7   C18  C8    180.00   0.0  0
 8Y5  CONST_47  H6   C10  C20  C9    180.00   0.0  0
 8Y5  CONST_48  H5   C9   C20  C10   180.00   0.0  0
 8Y5  CONST_49  H16  C4   C15  C11   180.00   0.0  0
 8Y5  CONST_50  H18  C6   C19  C11   180.00   0.0  0
 8Y5  CONST_51  H10  C14  C17  C12   180.00   0.0  0
 8Y5  CONST_52  H17  C5   C3   C13   180.00   0.0  0
 8Y5  CONST_53  H8   C12  C17  C14   180.00   0.0  0
 8Y5  CONST_54  H1   C2   C4   C15   180.00   0.0  0
 8Y5  CONST_55  H2   C3   C5   C16   180.00   0.0  0
 8Y5  CONST_56  H9   C13  N29  C21   180.00   0.0  0
 8Y5  CONST_57  H7   C11  C15  C4    180.00   0.0  0
 8Y5  CONST_58  C23  N30  C22  C12   180.00   0.0  0
 8Y5  CONST_59  S35  C22  N30  C23     0.00   0.0  0
 8Y5  CONST_60  H23  N30  C22  C12     0.00   0.0  0
 8Y5  CONST_61  C25  C23  N30  C22   180.00   0.0  0
 8Y5  CONST_62  O31  C23  N30  C22     0.00   0.0  0
 8Y5  Var_01    C23  C25  C18  C7     94.89  30.0  2
 8Y5  Var_02    O32  S36  C20  C9   -152.49  30.0  2
 8Y5  Var_03    O34  C26  C19  C11    75.80  30.0  2
 8Y5  Var_04    C24  C27  S36  C20  -178.65  30.0  1
 8Y5  Var_05    N30  C23  C25  C18   170.24  30.0  2
 8Y5  Var_06    H11  C24  C27  S36   -60.62  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
 8Y5  plan-1  C12  0.020
 8Y5  plan-1  C14  0.020
 8Y5  plan-1  C16  0.020
 8Y5  plan-1  C22  0.020
 8Y5  plan-1  C17  0.020
 8Y5  plan-1  S35  0.020
 8Y5  plan-1  H8   0.020
 8Y5  plan-1  H10  0.020
 8Y5  plan-1  N30  0.020
 8Y5  plan-2  C3   0.020
 8Y5  plan-2  C13  0.020
 8Y5  plan-2  C16  0.020
 8Y5  plan-2  C21  0.020
 8Y5  plan-2  N29  0.020
 8Y5  plan-2  C5   0.020
 8Y5  plan-2  C17  0.020
 8Y5  plan-2  O34  0.020
 8Y5  plan-2  H2   0.020
 8Y5  plan-2  H9   0.020
 8Y5  plan-2  H17  0.020
 8Y5  plan-3  C7   0.020
 8Y5  plan-3  C8   0.020
 8Y5  plan-3  C9   0.020
 8Y5  plan-3  C10  0.020
 8Y5  plan-3  C20  0.020
 8Y5  plan-3  C18  0.020
 8Y5  plan-3  C25  0.020
 8Y5  plan-3  H3   0.020
 8Y5  plan-3  H4   0.020
 8Y5  plan-3  H5   0.020
 8Y5  plan-3  H6   0.020
 8Y5  plan-3  S36  0.020
 8Y5  plan-4  C1   0.020
 8Y5  plan-4  C2   0.020
 8Y5  plan-4  C11  0.020
 8Y5  plan-4  C15  0.020
 8Y5  plan-4  C19  0.020
 8Y5  plan-4  C4   0.020
 8Y5  plan-4  C6   0.020
 8Y5  plan-4  C26  0.020
 8Y5  plan-4  N28  0.020
 8Y5  plan-4  H1   0.020
 8Y5  plan-4  H7   0.020
 8Y5  plan-4  H16  0.020
 8Y5  plan-4  H18  0.020
 8Y5  plan-5  C22  0.020
 8Y5  plan-5  C23  0.020
 8Y5  plan-5  C25  0.020
 8Y5  plan-5  O31  0.020
 8Y5  plan-5  H23  0.020
 8Y5  plan-5  N30  0.020

