# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Apr  8 18:09:14 2020
#   Inital geometry file: a 150 line input string
#   Ligand name: ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethanamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN(C)CCN(C)c1ccc(Nc2cc(NC3CC3)n4ncc(C#N)c4n2)cc1NC(C)=O
#
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
 5Y4  5Y4  ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethanamide  ligand  62  33  .  2022-07-23  2022-07-26
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_5Y4
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
 5Y4  C1   C  C     0   0.506  -2.9932   3.3736   0.4286
 5Y4  C2   C  CR6   0   0.356  -2.1021   1.2648  -0.5511
 5Y4  C3   C  CR16  0  -0.469  -0.7408   1.4638  -0.3760
 5Y4  N6   N  N     0  -0.304   5.9600  -2.1965  -0.7716
 5Y4  C7   C  CR6   0   0.196  -2.5724   0.0439  -1.0726
 5Y4  C8   C  CH3   0  -0.540  -4.4073  -0.7420  -2.4371
 5Y4  C9   C  CH2   0  -0.304  -4.5756  -0.7282  -0.0079
 5Y4  C10  C  CH2   0  -0.276  -6.0374  -0.3324   0.1679
 5Y4  C11  C  CH3   0  -0.519  -7.7817  -0.2141   1.8067
 5Y4  C12  C  CH3   0  -0.527  -6.9486  -2.3397   1.1351
 5Y4  C13  C  CR6   0   0.578   2.6454   0.0428  -0.5777
 5Y4  C14  C  CR16  0  -0.566   3.8651   0.6936  -0.2711
 5Y4  C15  C  CR6   0   0.719   5.0396  -0.0248  -0.3064
 5Y4  C16  C  CR56  0   0.686   3.7104  -1.8996  -0.9574
 5Y4  C19  C  CSP   0  -0.007   3.0946  -4.2235  -1.6394
 5Y4  C20  C  CH1   0  -0.110   6.5167   1.7788   0.3369
 5Y4  C21  C  CH2   0  -0.485   6.0508   2.2647   1.6768
 5Y4  C22  C  CH2   0  -0.506   7.5058   2.0271   1.4264
 5Y4  N7   N  NS    0  -0.271   2.3347  -5.0399  -1.9405
 5Y4  C17  C  CR5   0  -0.338   4.0138  -3.2305  -1.2725
 5Y4  C18  C  CR15  0   0.032   5.4148  -3.3295  -1.1349
 5Y4  N4   N  N     0  -0.468   4.9226  -1.3390  -0.6667
 5Y4  N8   N  NH1   0  -0.674   6.2624   0.4228  -0.0201
 5Y4  N5   N  N     0  -0.526   2.5660  -1.2367  -0.9158
 5Y4  C4   C  CR6   0   0.393   0.1782   0.4674  -0.7244
 5Y4  C5   C  CR16  0  -0.332  -0.2791  -0.7330  -1.2633
 5Y4  C6   C  CR16  0  -0.275  -1.6459  -0.9229  -1.4217
 5Y4  N    N  NH1   0  -0.728  -3.0812   2.2122  -0.2656
 5Y4  O    O  O     0  -0.473  -1.9567   3.8044   0.9045
 5Y4  C    C  CH3   0  -0.787  -4.3143   4.0790   0.6035
 5Y4  N1   N  NT    0  -0.512  -3.9768  -0.1217  -1.1968
 5Y4  N2   N  NT    0  -0.409  -6.6202  -0.9452   1.3477
 5Y4  H1   H  HCR6  0   0.288  -0.3808   2.3985   0.0267
 5Y4  H2   H  HCH3  0   0.210  -4.2134  -1.8214  -2.4755
 5Y4  H3   H  HCH3  0   0.246  -5.4785  -0.5988  -2.5742
 5Y4  H4   H  HCH3  0   0.248  -3.9023  -0.2725  -3.2795
 5Y4  H5   H  HCH2  0   0.251  -4.0305  -0.3855   0.8734
 5Y4  H6   H  HCH2  0   0.223  -4.4604  -1.8214  -0.0418
 5Y4  H7   H  HCH2  0   0.223  -6.0763   0.7537   0.2887
 5Y4  H8   H  HCH2  0   0.202  -6.6241  -0.5632  -0.7360
 5Y4  H9   H  HCH3  0   0.232  -8.1664  -0.6651   2.7223
 5Y4  H10  H  HCH3  0   0.232  -7.5119   0.8182   2.0340
 5Y4  H11  H  HCH3  0   0.192  -8.6044  -0.1932   1.0746
 5Y4  H12  H  HCH3  0   0.193  -7.7146  -2.4867   0.3568
 5Y4  H13  H  HCH3  0   0.234  -6.0672  -2.9100   0.8424
 5Y4  H14  H  HCH3  0   0.235  -7.3249  -2.7787   2.0599
 5Y4  H15  H  HCR6  0   0.306   3.8820   1.7407  -0.0079
 5Y4  H16  H  HCH1  0   0.282   6.4867   2.4851  -0.4873
 5Y4  H17  H  HCH2  0   0.265   5.6936   3.2839   1.7400
 5Y4  H18  H  HCH2  0   0.266   5.5231   1.5598   2.3065
 5Y4  H19  H  HCH2  0   0.265   7.9634   1.1629   1.8907
 5Y4  H20  H  HCH2  0   0.266   8.1622   2.8797   1.3185
 5Y4  H21  H  HCR5  0   0.294   6.0255  -4.2044  -1.2966
 5Y4  H22  H  HNH1  0   0.418   7.0421  -0.1962  -0.1876
 5Y4  H23  H  HNH1  0   0.421   1.6676   1.7434  -0.2112
 5Y4  H24  H  HCR6  0   0.286   0.4077  -1.5141  -1.5419
 5Y4  H25  H  HCR6  0   0.258  -1.9886  -1.8655  -1.8307
 5Y4  H26  H  HNH1  0   0.405  -3.9909   1.9257  -0.6088
 5Y4  H27  H  HCH3  0   0.276  -4.7663   3.7621   1.5452
 5Y4  H28  H  HCH3  0   0.268  -4.1585   5.1540   0.6554
 5Y4  H29  H  HCH3  0   0.256  -5.0227   3.8658  -0.1959
 5Y4  N3   N  NH1   0  -0.800   1.5176   0.7923  -0.5105

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
 5Y4  N7   C19  triple    1.155  0.020  1.155
 5Y4  C19  C17  single    1.402  0.020  1.402
 5Y4  C18  C17  aromatic  1.411  0.020  1.411
 5Y4  C18  N6   aromatic  1.309  0.020  1.309
 5Y4  O    C1   double    1.219  0.020  1.219
 5Y4  C17  C16  aromatic  1.401  0.020  1.401
 5Y4  C    C1   single    1.508  0.020  1.508
 5Y4  C1   N    single    1.356  0.020  1.356
 5Y4  N6   N4   aromatic  1.350  0.020  1.350
 5Y4  C16  N4   aromatic  1.367  0.020  1.367
 5Y4  C16  N5   aromatic  1.323  0.020  1.323
 5Y4  N4   C15  aromatic  1.368  0.020  1.368
 5Y4  N    C2   single    1.392  0.020  1.392
 5Y4  N5   C13  aromatic  1.326  0.020  1.326
 5Y4  C15  N8   single    1.333  0.020  1.333
 5Y4  C15  C14  aromatic  1.377  0.020  1.377
 5Y4  C2   C3   aromatic  1.387  0.020  1.387
 5Y4  C2   C7   aromatic  1.408  0.020  1.408
 5Y4  C3   C4   aromatic  1.400  0.020  1.400
 5Y4  N8   C20  single    1.425  0.020  1.425
 5Y4  C8   N1   single    1.452  0.020  1.452
 5Y4  C13  C14  aromatic  1.416  0.020  1.416
 5Y4  C13  N3   single    1.356  0.020  1.356
 5Y4  C7   N1   single    1.420  0.020  1.420
 5Y4  C7   C6   aromatic  1.384  0.020  1.384
 5Y4  N1   C9   single    1.463  0.020  1.463
 5Y4  C4   N3   single    1.395  0.020  1.395
 5Y4  C4   C5   aromatic  1.393  0.020  1.393
 5Y4  C11  N2   single    1.447  0.020  1.447
 5Y4  C20  C22  single    1.492  0.020  1.492
 5Y4  C20  C21  single    1.500  0.020  1.500
 5Y4  N2   C12  single    1.448  0.020  1.448
 5Y4  N2   C10  single    1.452  0.020  1.452
 5Y4  C22  C21  single    1.495  0.020  1.495
 5Y4  C6   C5   aromatic  1.389  0.020  1.389
 5Y4  C10  C9   single    1.525  0.020  1.525
 5Y4  C3   H1   single    0.930  0.020  1.080
 5Y4  C8   H2   single    0.970  0.020  1.090
 5Y4  C8   H3   single    0.970  0.020  1.090
 5Y4  C8   H4   single    0.970  0.020  1.090
 5Y4  C9   H5   single    0.970  0.020  1.090
 5Y4  C9   H6   single    0.970  0.020  1.090
 5Y4  C10  H7   single    0.970  0.020  1.090
 5Y4  C10  H8   single    0.970  0.020  1.090
 5Y4  C11  H9   single    0.970  0.020  1.090
 5Y4  C11  H10  single    0.970  0.020  1.090
 5Y4  C11  H11  single    0.970  0.020  1.090
 5Y4  C12  H12  single    0.970  0.020  1.090
 5Y4  C12  H13  single    0.970  0.020  1.090
 5Y4  C12  H14  single    0.970  0.020  1.090
 5Y4  C14  H15  single    0.930  0.020  1.080
 5Y4  C20  H16  single    0.970  0.020  1.090
 5Y4  C21  H17  single    0.970  0.020  1.090
 5Y4  C21  H18  single    0.970  0.020  1.090
 5Y4  C22  H19  single    0.970  0.020  1.090
 5Y4  C22  H20  single    0.970  0.020  1.090
 5Y4  C18  H21  single    0.930  0.020  1.080
 5Y4  N8   H22  single    0.860  0.020  1.020
 5Y4  N3   H23  single    0.860  0.020  1.020
 5Y4  C5   H24  single    0.930  0.020  1.080
 5Y4  C6   H25  single    0.930  0.020  1.080
 5Y4  N    H26  single    0.860  0.020  1.020
 5Y4  C    H27  single    0.970  0.020  1.090
 5Y4  C    H28  single    0.970  0.020  1.090
 5Y4  C    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
 5Y4  C    C1   O    122.30  3.000
 5Y4  C    C1   N    113.78  3.000
 5Y4  O    C1   N    123.90  3.000
 5Y4  N    C2   C7   115.54  3.000
 5Y4  C7   C2   C3   119.93  3.000
 5Y4  N    C2   C3   124.52  3.000
 5Y4  H1   C3   C4   119.36  3.000
 5Y4  H1   C3   C2   119.92  3.000
 5Y4  C4   C3   C2   120.72  3.000
 5Y4  N4   N6   C18  104.56  3.000
 5Y4  N1   C7   C6   123.97  3.000
 5Y4  C6   C7   C2   118.39  3.000
 5Y4  N1   C7   C2   117.63  3.000
 5Y4  H4   C8   H3   107.59  3.000
 5Y4  H4   C8   H2   108.37  3.000
 5Y4  H3   C8   H2   107.37  3.000
 5Y4  H4   C8   N1   109.83  3.000
 5Y4  H3   C8   N1   110.05  3.000
 5Y4  H2   C8   N1   113.43  3.000
 5Y4  H6   C9   H5   106.54  3.000
 5Y4  H6   C9   N1   110.13  3.000
 5Y4  H5   C9   N1   108.76  3.000
 5Y4  H6   C9   C10  111.23  3.000
 5Y4  H5   C9   C10  107.71  3.000
 5Y4  N1   C9   C10  112.24  3.000
 5Y4  H8   C10  H7   106.24  3.000
 5Y4  H8   C10  N2   111.37  3.000
 5Y4  H7   C10  N2   108.37  3.000
 5Y4  H8   C10  C9   111.20  3.000
 5Y4  H7   C10  C9   107.74  3.000
 5Y4  N2   C10  C9   111.66  3.000
 5Y4  H11  C11  H10  107.78  3.000
 5Y4  H11  C11  H9   107.60  3.000
 5Y4  H10  C11  H9   107.67  3.000
 5Y4  H11  C11  N2   113.47  3.000
 5Y4  H10  C11  N2   110.22  3.000
 5Y4  H9   C11  N2   109.90  3.000
 5Y4  H14  C12  H13  107.22  3.000
 5Y4  H14  C12  H12  107.78  3.000
 5Y4  H13  C12  H12  107.63  3.000
 5Y4  H14  C12  N2   109.95  3.000
 5Y4  H13  C12  N2   111.09  3.000
 5Y4  H12  C12  N2   112.94  3.000
 5Y4  N3   C13  N5   119.76  3.000
 5Y4  N3   C13  C14  116.85  3.000
 5Y4  N5   C13  C14  123.39  3.000
 5Y4  H15  C14  C15  119.92  3.000
 5Y4  H15  C14  C13  120.79  3.000
 5Y4  C15  C14  C13  119.29  3.000
 5Y4  N8   C15  N4   117.23  3.000
 5Y4  N8   C15  C14  126.98  3.000
 5Y4  N4   C15  C14  115.79  3.000
 5Y4  N5   C16  N4   123.70  3.000
 5Y4  N5   C16  C17  132.09  3.000
 5Y4  N4   C16  C17  104.21  3.000
 5Y4  C17  C19  N7   180.00  3.000
 5Y4  H16  C20  N8   115.08  3.000
 5Y4  H16  C20  C22  117.66  3.000
 5Y4  N8   C20  C22  117.36  3.000
 5Y4  H16  C20  C21  117.32  3.000
 5Y4  C22  C20  C21   59.98  3.000
 5Y4  N8   C20  C21  118.48  3.000
 5Y4  H18  C21  H17  114.74  3.000
 5Y4  H18  C21  C22  117.92  3.000
 5Y4  H17  C21  C22  118.74  3.000
 5Y4  H18  C21  C20  117.40  3.000
 5Y4  H17  C21  C20  117.39  3.000
 5Y4  C22  C21  C20   59.77  3.000
 5Y4  H20  C22  H19  114.56  3.000
 5Y4  H20  C22  C21  118.82  3.000
 5Y4  H19  C22  C21  117.80  3.000
 5Y4  H20  C22  C20  117.43  3.000
 5Y4  H19  C22  C20  117.42  3.000
 5Y4  C21  C22  C20   60.25  3.000
 5Y4  C18  C17  C19  128.81  3.000
 5Y4  C18  C17  C16  105.05  3.000
 5Y4  C19  C17  C16  126.14  3.000
 5Y4  H21  C18  C17  127.17  3.000
 5Y4  H21  C18  N6   120.51  3.000
 5Y4  C17  C18  N6   112.33  3.000
 5Y4  C16  N4   C15  121.73  3.000
 5Y4  C15  N4   N6   124.41  3.000
 5Y4  C16  N4   N6   113.86  3.000
 5Y4  H22  N8   C20  119.15  3.000
 5Y4  H22  N8   C15  117.84  3.000
 5Y4  C20  N8   C15  122.47  3.000
 5Y4  C16  N5   C13  116.09  3.000
 5Y4  C5   C4   N3   125.12  3.000
 5Y4  C5   C4   C3   119.62  3.000
 5Y4  N3   C4   C3   115.24  3.000
 5Y4  H24  C5   C6   119.93  3.000
 5Y4  H24  C5   C4   121.05  3.000
 5Y4  C6   C5   C4   119.01  3.000
 5Y4  H25  C6   C5   118.25  3.000
 5Y4  H25  C6   C7   119.43  3.000
 5Y4  C5   C6   C7   122.31  3.000
 5Y4  H26  N    C2   111.68  3.000
 5Y4  H26  N    C1   118.27  3.000
 5Y4  C2   N    C1   129.97  3.000
 5Y4  H29  C    H28  108.77  3.000
 5Y4  H29  C    H27  107.88  3.000
 5Y4  H28  C    H27  107.77  3.000
 5Y4  H29  C    C1   113.15  3.000
 5Y4  H28  C    C1   110.02  3.000
 5Y4  H27  C    C1   109.09  3.000
 5Y4  C9   N1   C8   113.31  3.000
 5Y4  C9   N1   C7   112.47  3.000
 5Y4  C8   N1   C7   114.70  3.000
 5Y4  C12  N2   C11  110.55  3.000
 5Y4  C12  N2   C10  112.22  3.000
 5Y4  C11  N2   C10  111.52  3.000
 5Y4  H23  N3   C4   114.09  3.000
 5Y4  H23  N3   C13  114.36  3.000
 5Y4  C4   N3   C13  131.48  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
 5Y4  CONST_01  C5   C4   C3   C2      0.00   0.0  0
 5Y4  CONST_02  C5   C6   C7   C2      0.00   0.0  0
 5Y4  CONST_03  C6   C7   C2   C3      0.00   0.0  0
 5Y4  CONST_04  C6   C5   C4   C3      0.00   0.0  0
 5Y4  CONST_05  C16  C17  C18  N6      0.00   0.0  0
 5Y4  CONST_06  C17  C16  N4   N6      0.00   0.0  0
 5Y4  CONST_07  N5   C16  N4   N6    180.00   0.0  0
 5Y4  CONST_08  C14  C15  N4   N6    180.00   0.0  0
 5Y4  CONST_09  C4   C3   C2   C7      0.00   0.0  0
 5Y4  CONST_10  C4   C5   C6   C7      0.00   0.0  0
 5Y4  CONST_11  C17  C16  N5   C13   180.00   0.0  0
 5Y4  CONST_12  N4   C16  N5   C13     0.00   0.0  0
 5Y4  CONST_13  N4   C15  C14  C13     0.00   0.0  0
 5Y4  CONST_14  C16  N4   C15  C14     0.00   0.0  0
 5Y4  CONST_15  C16  N5   C13  C14     0.00   0.0  0
 5Y4  CONST_16  C18  N6   N4   C15   180.00   0.0  0
 5Y4  CONST_17  C17  C16  N4   C15   180.00   0.0  0
 5Y4  CONST_18  N5   C16  N4   C15     0.00   0.0  0
 5Y4  CONST_19  N5   C13  C14  C15     0.00   0.0  0
 5Y4  CONST_20  C18  N6   N4   C16     0.00   0.0  0
 5Y4  CONST_21  N4   N6   C18  C17     0.00   0.0  0
 5Y4  CONST_22  N4   C16  C17  C18     0.00   0.0  0
 5Y4  CONST_23  N5   C16  C17  C18   180.00   0.0  0
 5Y4  CONST_24  N3   C4   C3   C2    180.00   0.0  0
 5Y4  CONST_25  N1   C7   C2   C3    180.00   0.0  0
 5Y4  CONST_26  C19  C17  C18  N6    180.00   0.0  0
 5Y4  CONST_27  N8   C15  N4   N6      0.00   0.0  0
 5Y4  CONST_28  N8   C15  C14  C13   180.00   0.0  0
 5Y4  CONST_29  N3   C13  C14  C15   180.00   0.0  0
 5Y4  CONST_30  N8   C15  N4   C16   180.00   0.0  0
 5Y4  CONST_31  N3   C13  N5   C16   180.00   0.0  0
 5Y4  CONST_32  N4   C16  C17  C19   180.00   0.0  0
 5Y4  CONST_33  N5   C16  C17  C19     0.00   0.0  0
 5Y4  CONST_34  C6   C5   C4   N3    180.00   0.0  0
 5Y4  CONST_35  N    C2   C3   C4    180.00   0.0  0
 5Y4  CONST_36  N1   C7   C6   C5    180.00   0.0  0
 5Y4  CONST_37  N    C2   C7   C6    180.00   0.0  0
 5Y4  CONST_38  C20  N8   C15  C14     0.00   0.0  0
 5Y4  CONST_39  N4   C15  N8   C20   180.00   0.0  0
 5Y4  CONST_40  H25  C6   C7   C2    180.00   0.0  0
 5Y4  CONST_41  H24  C5   C4   C3    180.00   0.0  0
 5Y4  CONST_42  H1   C3   C2   C7    180.00   0.0  0
 5Y4  CONST_43  H21  C18  C17  C16   180.00   0.0  0
 5Y4  CONST_44  H15  C14  C15  N4    180.00   0.0  0
 5Y4  CONST_45  C3   C2   N    C1      0.00   0.0  0
 5Y4  CONST_46  C7   C2   N    C1    180.00   0.0  0
 5Y4  CONST_51  H26  N    C2   C3    180.00   0.0  0
 5Y4  CONST_52  H22  N8   C15  C14   180.00   0.0  0
 5Y4  CONST_53  O    C1   N    C2      0.00   0.0  0
 5Y4  CONST_54  C    C1   N    C2    180.00   0.0  0
 5Y4  Var_01    C13  N3   C4   C3    171.19  30.0  2
 5Y4  Var_02    C4   N3   C13  C14  -178.86  30.0  2
 5Y4  Var_03    C22  C20  N8   C15   139.98  30.0  3
 5Y4  Var_04    N8   C20  C22  C21  -108.73  30.0  1
 5Y4  Var_05    H17  C21  C22  C20  -106.72  30.0  1
 5Y4  Var_06    C10  C9   N1   C7    153.21  30.0  3
 5Y4  Var_07    H2   C8   N1   C7     74.47  30.0  3
 5Y4  Var_08    C11  N2   C10  C9    158.04  30.0  3
 5Y4  Var_09    N2   C10  C9   N1    179.77  30.0  1
 5Y4  Var_10    H9   C11  N2   C10  -177.02  30.0  3
 5Y4  Var_11    H12  C12  N2   C10   -63.08  30.0  3
 5Y4  Var_12    H27  C    C1   N      92.27  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
 5Y4  chir_01  C20  N8  C22  C21  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
 5Y4  plan-1  C2   0.020
 5Y4  plan-1  C3   0.020
 5Y4  plan-1  C7   0.020
 5Y4  plan-1  C4   0.020
 5Y4  plan-1  C5   0.020
 5Y4  plan-1  C6   0.020
 5Y4  plan-1  N    0.020
 5Y4  plan-1  N1   0.020
 5Y4  plan-1  H1   0.020
 5Y4  plan-1  H24  0.020
 5Y4  plan-1  H25  0.020
 5Y4  plan-1  N3   0.020
 5Y4  plan-2  N6   0.020
 5Y4  plan-2  C13  0.020
 5Y4  plan-2  C14  0.020
 5Y4  plan-2  C15  0.020
 5Y4  plan-2  C16  0.020
 5Y4  plan-2  C19  0.020
 5Y4  plan-2  N7   0.020
 5Y4  plan-2  C17  0.020
 5Y4  plan-2  C18  0.020
 5Y4  plan-2  N4   0.020
 5Y4  plan-2  N8   0.020
 5Y4  plan-2  N5   0.020
 5Y4  plan-2  H15  0.020
 5Y4  plan-2  H21  0.020
 5Y4  plan-2  N3   0.020
 5Y4  plan-3  C15  0.020
 5Y4  plan-3  C20  0.020
 5Y4  plan-3  N8   0.020
 5Y4  plan-3  H22  0.020
 5Y4  plan-4  C7   0.020
 5Y4  plan-4  C8   0.020
 5Y4  plan-4  C9   0.020
 5Y4  plan-4  N1   0.020
 5Y4  plan-5  C1   0.020
 5Y4  plan-5  C2   0.020
 5Y4  plan-5  N    0.020
 5Y4  plan-5  O    0.020
 5Y4  plan-5  C    0.020
 5Y4  plan-5  H26  0.020

