# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat May  9 00:31:42 2020
#   Inital geometry file: a 139 line input string
#   Ligand name: [6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@H](Nc1ccc2c(cn(c3cc(C)[nH]n3)c2n1)C(=O)N4CCOCC4)c5ccc(F)cn5
#
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
 J3Y  J3Y  '[6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone'  ligand  57  33  .  2021-08-12  2022-09-16
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_J3Y
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
 J3Y  C5   C  CR6   0   0.480  -1.4410   0.5909  -0.3815
 J3Y  C6   C  CR16  0  -0.409  -0.9293   1.9131  -0.4467
 J3Y  C7   C  CR16  0  -0.235   0.4291   2.1225  -0.5100
 J3Y  C8   C  CR56  0   0.024   1.2755   1.0120  -0.5164
 J3Y  C10  C  CR15  0  -0.012   2.8538  -0.5798  -0.5161
 J3Y  C13  C  CR15  0  -0.547   2.1663  -3.4867   0.3850
 J3Y  C15  C  CH3   0  -0.732   1.9709  -6.0815   0.5580
 J3Y  C24  C  C     0  -0.325   6.0372   2.5313  -0.5149
 J3Y  C28  C  C     0  -0.333   5.2857   0.7081   0.8929
 J3Y  C1   C  CH3   0  -0.655  -3.9401   1.5812  -2.0621
 J3Y  C12  C  CR5   0   0.461   1.4601  -2.5887  -0.4324
 J3Y  C14  C  CR5   0   0.407   1.6476  -4.7209   0.0560
 J3Y  C19  C  CR56  0   0.465   0.6465  -0.2400  -0.4691
 J3Y  C2   C  CH1   0  -0.157  -3.8131   1.2954  -0.5626
 J3Y  C25  C  C     0  -0.186   6.6232   3.1932   0.7179
 J3Y  C27  C  C     0  -0.175   5.9178   1.4429   2.0659
 J3Y  C29  C  CR6   0   0.272  -5.1277   0.7740  -0.0305
 J3Y  C30  C  CR16  0  -0.316  -6.0748   1.6361   0.5102
 J3Y  C31  C  CR16  0  -0.296  -7.2920   1.1268   0.9310
 J3Y  C32  C  CR6   0   0.430  -7.4943  -0.2303   0.7890
 J3Y  C34  C  CR16  0  -0.207  -6.5078  -1.0328   0.2480
 J3Y  C9   C  CR5   0  -0.235   2.6914   0.7768  -0.5259
 J3Y  F33  F  F     0  -0.301  -8.6496  -0.7824   1.1780
 J3Y  N11  N  NR5   0  -0.626   1.6309  -1.2024  -0.4872
 J3Y  N16  N  NR15  0  -0.473   0.7105  -4.4820  -0.8796
 J3Y  N17  N  N     0  -0.275   0.5840  -3.1981  -1.2005
 J3Y  N20  N  N     0  -0.482  -0.6496  -0.4782  -0.3988
 J3Y  N23  N  NR6   0  -0.479   4.9360   1.6528  -0.1537
 J3Y  N35  N  N     0  -0.420  -5.3512  -0.5279  -0.1549
 J3Y  N4   N  NH1   0  -0.666  -2.7741   0.3386  -0.2597
 J3Y  O22  O  O     0  -0.497   3.4360   2.8100  -1.3857
 J3Y  O26  O  O     0  -0.482   7.0151   2.2339   1.6749
 J3Y  H1   H  HCR6  0   0.274  -1.5982   2.7615  -0.4410
 J3Y  H2   H  HCR6  0   0.257   0.8195   3.1300  -0.5564
 J3Y  H3   H  HCR5  0   0.310   3.7536  -1.1721  -0.5710
 J3Y  H4   H  HCR5  0   0.275   2.9313  -3.2732   1.1131
 J3Y  H5   H  HCH3  0   0.261   1.0914  -6.5773   0.9697
 J3Y  H6   H  HCH3  0   0.262   2.3660  -6.7146  -0.2374
 J3Y  H7   H  HCH3  0   0.262   2.7215  -6.0197   1.3422
 J3Y  H9   H  H     0   0.248   6.8102   1.9358  -1.0121
 J3Y  H10  H  H     0   0.247   5.9743  -0.0477   0.5003
 J3Y  H11  H  H     0   0.271   4.4003   0.1955   1.2587
 J3Y  H12  H  HCH3  0   0.239  -4.7059   2.3337  -2.2526
 J3Y  H13  H  HCH3  0   0.242  -2.9986   1.9504  -2.4701
 J3Y  H14  H  HCH3  0   0.233  -4.2132   0.6719  -2.5990
 J3Y  H15  H  HCH1  0   0.265  -3.5936   2.2315  -0.0431
 J3Y  H16  H  H     0   0.243   7.5109   3.7641   0.4425
 J3Y  H17  H  H     0   0.209   5.8903   3.8903   1.1483
 J3Y  H18  H  H     0   0.208   5.1515   2.0636   2.5514
 J3Y  H19  H  H     0   0.246   6.2770   0.7167   2.7964
 J3Y  H20  H  HCR6  0   0.282  -5.8642   2.6931   0.6048
 J3Y  H21  H  HCR6  0   0.300  -8.0540   1.7644   1.3596
 J3Y  H22  H  HCR6  0   0.286  -6.6603  -2.1011   0.1395
 J3Y  H23  H  HNR5  0   0.422   0.1197  -5.1619  -1.3320
 J3Y  H24  H  HNH1  0   0.377  -3.0362  -0.6286  -0.3860
 J3Y  C21  C  C     0   0.499   3.7126   1.8230  -0.7093
 J3Y  H8   H  H     0   0.268   5.6955   3.2891  -1.2146

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
 J3Y  C6   C7   aromatic  1.376  0.020  1.376
 J3Y  C6   C5   aromatic  1.419  0.020  1.419
 J3Y  C1   C2   single    1.532  0.020  1.532
 J3Y  C25  O26  single    1.410  0.020  1.410
 J3Y  C25  C24  single    1.517  0.020  1.517
 J3Y  N4   C5   single    1.362  0.020  1.362
 J3Y  N4   C2   single    1.444  0.020  1.444
 J3Y  C7   C8   aromatic  1.396  0.020  1.396
 J3Y  C5   N20  aromatic  1.330  0.020  1.330
 J3Y  O26  C27  single    1.408  0.020  1.408
 J3Y  C2   C29  single    1.511  0.020  1.511
 J3Y  C27  C28  single    1.522  0.020  1.522
 J3Y  O22  C21  double    1.228  0.020  1.228
 J3Y  C8   C9   aromatic  1.435  0.020  1.435
 J3Y  C8   C19  aromatic  1.402  0.020  1.402
 J3Y  C24  N23  single    1.454  0.020  1.454
 J3Y  N20  C19  aromatic  1.320  0.020  1.320
 J3Y  C21  N23  single    1.354  0.020  1.354
 J3Y  C21  C9   single    1.473  0.020  1.473
 J3Y  N23  C28  single    1.453  0.020  1.453
 J3Y  C9   C10  aromatic  1.366  0.020  1.366
 J3Y  C19  N11  aromatic  1.377  0.020  1.377
 J3Y  C29  N35  aromatic  1.327  0.020  1.327
 J3Y  C29  C30  aromatic  1.390  0.020  1.390
 J3Y  C10  N11  aromatic  1.373  0.020  1.373
 J3Y  N11  C12  single    1.398  0.020  1.398
 J3Y  N35  C34  aromatic  1.325  0.020  1.325
 J3Y  C30  C31  aromatic  1.385  0.020  1.385
 J3Y  C13  C12  aromatic  1.405  0.020  1.405
 J3Y  C13  C14  aromatic  1.379  0.020  1.379
 J3Y  C12  N17  aromatic  1.315  0.020  1.315
 J3Y  C34  C32  aromatic  1.382  0.020  1.382
 J3Y  C14  C15  single    1.486  0.020  1.486
 J3Y  C14  N16  aromatic  1.346  0.020  1.346
 J3Y  N17  N16  aromatic  1.329  0.020  1.329
 J3Y  C31  C32  aromatic  1.379  0.020  1.379
 J3Y  C32  F33  single    1.338  0.020  1.338
 J3Y  C6   H1   single    0.930  0.020  1.080
 J3Y  C7   H2   single    0.930  0.020  1.080
 J3Y  C10  H3   single    0.930  0.020  1.080
 J3Y  C13  H4   single    0.930  0.020  1.080
 J3Y  C15  H5   single    0.970  0.020  1.090
 J3Y  C15  H6   single    0.970  0.020  1.090
 J3Y  C15  H7   single    0.970  0.020  1.090
 J3Y  C24  H8   single    0.970  0.020  1.090
 J3Y  C24  H9   single    0.970  0.020  1.090
 J3Y  C28  H10  single    0.970  0.020  1.090
 J3Y  C28  H11  single    0.970  0.020  1.090
 J3Y  C1   H12  single    0.970  0.020  1.090
 J3Y  C1   H13  single    0.970  0.020  1.090
 J3Y  C1   H14  single    0.970  0.020  1.090
 J3Y  C2   H15  single    0.970  0.020  1.090
 J3Y  C25  H16  single    0.970  0.020  1.090
 J3Y  C25  H17  single    0.970  0.020  1.090
 J3Y  C27  H18  single    0.970  0.020  1.090
 J3Y  C27  H19  single    0.970  0.020  1.090
 J3Y  C30  H20  single    0.930  0.020  1.080
 J3Y  C31  H21  single    0.930  0.020  1.080
 J3Y  C34  H22  single    0.930  0.020  1.080
 J3Y  N16  H23  single    0.860  0.020  1.020
 J3Y  N4   H24  single    0.890  0.020  1.040

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
 J3Y  N4   C5   N20  115.75  3.000
 J3Y  N20  C5   C6   122.25  3.000
 J3Y  N4   C5   C6   121.97  3.000
 J3Y  H1   C6   C7   119.48  3.000
 J3Y  H1   C6   C5   120.53  3.000
 J3Y  C7   C6   C5   119.99  3.000
 J3Y  H2   C7   C8   121.46  3.000
 J3Y  H2   C7   C6   120.01  3.000
 J3Y  C8   C7   C6   118.53  3.000
 J3Y  C9   C8   C19  107.24  3.000
 J3Y  C19  C8   C7   115.99  3.000
 J3Y  C9   C8   C7   136.75  3.000
 J3Y  H3   C10  N11  119.69  3.000
 J3Y  H3   C10  C9   130.09  3.000
 J3Y  N11  C10  C9   110.16  3.000
 J3Y  H4   C13  C14  127.29  3.000
 J3Y  H4   C13  C12  128.56  3.000
 J3Y  C14  C13  C12  104.14  3.000
 J3Y  H7   C15  H6   107.99  3.000
 J3Y  H7   C15  H5   108.08  3.000
 J3Y  H6   C15  H5   107.67  3.000
 J3Y  H7   C15  C14  109.99  3.000
 J3Y  H6   C15  C14  111.34  3.000
 J3Y  H5   C15  C14  111.62  3.000
 J3Y  H9   C24  H8   107.99  3.000
 J3Y  H9   C24  N23  108.59  3.000
 J3Y  H8   C24  N23  110.07  3.000
 J3Y  H9   C24  C25  109.48  3.000
 J3Y  H8   C24  C25  109.90  3.000
 J3Y  N23  C24  C25  110.74  3.000
 J3Y  H11  C28  H10  107.91  3.000
 J3Y  H11  C28  N23  110.68  3.000
 J3Y  H10  C28  N23  109.99  3.000
 J3Y  H11  C28  C27  107.87  3.000
 J3Y  H10  C28  C27  110.39  3.000
 J3Y  N23  C28  C27  109.96  3.000
 J3Y  H14  C1   H13  108.32  3.000
 J3Y  H14  C1   H12  108.27  3.000
 J3Y  H13  C1   H12  107.90  3.000
 J3Y  H14  C1   C2   110.31  3.000
 J3Y  H13  C1   C2   110.96  3.000
 J3Y  H12  C1   C2   110.98  3.000
 J3Y  N17  C12  N11  121.20  3.000
 J3Y  N17  C12  C13  112.25  3.000
 J3Y  N11  C12  C13  126.54  3.000
 J3Y  N16  C14  C15  123.30  3.000
 J3Y  N16  C14  C13  105.61  3.000
 J3Y  C15  C14  C13  131.09  3.000
 J3Y  N20  C19  N11  125.22  3.000
 J3Y  N11  C19  C8   107.64  3.000
 J3Y  N20  C19  C8   127.13  3.000
 J3Y  H15  C2   N4   108.86  3.000
 J3Y  H15  C2   C29  107.63  3.000
 J3Y  N4   C2   C29  108.87  3.000
 J3Y  H15  C2   C1   108.79  3.000
 J3Y  C29  C2   C1   109.69  3.000
 J3Y  N4   C2   C1   112.86  3.000
 J3Y  H17  C25  H16  108.03  3.000
 J3Y  H17  C25  O26  110.54  3.000
 J3Y  H16  C25  O26  107.52  3.000
 J3Y  H17  C25  C24  109.71  3.000
 J3Y  H16  C25  C24  109.73  3.000
 J3Y  O26  C25  C24  111.22  3.000
 J3Y  H19  C27  H18  108.04  3.000
 J3Y  H19  C27  O26  107.66  3.000
 J3Y  H18  C27  O26  110.41  3.000
 J3Y  H19  C27  C28  109.36  3.000
 J3Y  H18  C27  C28  108.88  3.000
 J3Y  O26  C27  C28  112.39  3.000
 J3Y  N35  C29  C30  122.02  3.000
 J3Y  C30  C29  C2   121.05  3.000
 J3Y  N35  C29  C2   116.88  3.000
 J3Y  H20  C30  C31  120.26  3.000
 J3Y  H20  C30  C29  120.48  3.000
 J3Y  C31  C30  C29  119.27  3.000
 J3Y  H21  C31  C32  121.15  3.000
 J3Y  H21  C31  C30  121.50  3.000
 J3Y  C32  C31  C30  117.35  3.000
 J3Y  F33  C32  C34  119.37  3.000
 J3Y  F33  C32  C31  120.17  3.000
 J3Y  C34  C32  C31  120.46  3.000
 J3Y  H22  C34  N35  117.89  3.000
 J3Y  H22  C34  C32  120.72  3.000
 J3Y  N35  C34  C32  121.39  3.000
 J3Y  C21  C9   C10  128.58  3.000
 J3Y  C10  C9   C8   106.25  3.000
 J3Y  C21  C9   C8   124.62  3.000
 J3Y  C19  N11  C12  127.26  3.000
 J3Y  C12  N11  C10  124.02  3.000
 J3Y  C19  N11  C10  108.67  3.000
 J3Y  H23  N16  N17  119.17  3.000
 J3Y  H23  N16  C14  126.90  3.000
 J3Y  N17  N16  C14  113.93  3.000
 J3Y  N16  N17  C12  104.07  3.000
 J3Y  C19  N20  C5   116.09  3.000
 J3Y  C28  N23  C24  112.92  3.000
 J3Y  C28  N23  C21  126.49  3.000
 J3Y  C24  N23  C21  120.41  3.000
 J3Y  C34  N35  C29  119.51  3.000
 J3Y  H24  N4   C2   114.92  3.000
 J3Y  H24  N4   C5   114.84  3.000
 J3Y  C2   N4   C5   124.23  3.000
 J3Y  C27  O26  C25  110.73  3.000
 J3Y  O22  C21  N23  122.03  3.000
 J3Y  N23  C21  C9   119.06  3.000
 J3Y  O22  C21  C9   118.89  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
 J3Y  CONST_01  C8   C7   C6   C5      0.00   0.0  0
 J3Y  CONST_02  C8   C19  N20  C5      0.00   0.0  0
 J3Y  CONST_03  N11  C19  N20  C5    180.00   0.0  0
 J3Y  CONST_04  C9   C8   C7   C6    180.00   0.0  0
 J3Y  CONST_05  C19  C8   C7   C6      0.00   0.0  0
 J3Y  CONST_06  C19  N20  C5   C6      0.00   0.0  0
 J3Y  CONST_07  N20  C5   C6   C7      0.00   0.0  0
 J3Y  CONST_08  C10  C9   C8   C7    180.00   0.0  0
 J3Y  CONST_09  N20  C19  C8   C7      0.00   0.0  0
 J3Y  CONST_10  N11  C19  C8   C7    180.00   0.0  0
 J3Y  CONST_11  N11  C10  C9   C8      0.00   0.0  0
 J3Y  CONST_12  C10  N11  C19  C8      0.00   0.0  0
 J3Y  CONST_13  C12  N11  C19  C8    180.00   0.0  0
 J3Y  CONST_14  C19  C8   C9   C10     0.00   0.0  0
 J3Y  CONST_15  N20  C19  N11  C10   180.00   0.0  0
 J3Y  CONST_19  N16  N17  C12  C13     0.00   0.0  0
 J3Y  CONST_20  N17  N16  C14  C13     0.00   0.0  0
 J3Y  CONST_21  N20  C19  N11  C12     0.00   0.0  0
 J3Y  CONST_22  C9   C10  N11  C12   180.00   0.0  0
 J3Y  CONST_23  N16  C14  C13  C12     0.00   0.0  0
 J3Y  CONST_24  C14  N16  N17  C12     0.00   0.0  0
 J3Y  CONST_25  N11  C12  C13  C14   180.00   0.0  0
 J3Y  CONST_26  N17  C12  C13  C14     0.00   0.0  0
 J3Y  CONST_27  C9   C10  N11  C19     0.00   0.0  0
 J3Y  CONST_29  C32  C34  N35  C29     0.00   0.0  0
 J3Y  CONST_30  C32  C31  C30  C29     0.00   0.0  0
 J3Y  CONST_31  C34  N35  C29  C30     0.00   0.0  0
 J3Y  CONST_32  C34  C32  C31  C30     0.00   0.0  0
 J3Y  CONST_33  N35  C29  C30  C31     0.00   0.0  0
 J3Y  CONST_34  N35  C34  C32  C31     0.00   0.0  0
 J3Y  CONST_35  N20  C19  C8   C9    180.00   0.0  0
 J3Y  CONST_36  N11  C19  C8   C9      0.00   0.0  0
 J3Y  CONST_37  N16  N17  C12  N11   180.00   0.0  0
 J3Y  CONST_38  N4   C5   C6   C7    180.00   0.0  0
 J3Y  CONST_39  C21  C9   C8   C7      0.00   0.0  0
 J3Y  CONST_40  C12  C13  C14  C15   180.00   0.0  0
 J3Y  CONST_41  N17  N16  C14  C15   180.00   0.0  0
 J3Y  CONST_42  C19  C8   C9   C21   180.00   0.0  0
 J3Y  CONST_43  N11  C10  C9   C21   180.00   0.0  0
 J3Y  CONST_44  N4   C5   N20  C19   180.00   0.0  0
 J3Y  CONST_45  C34  N35  C29  C2    180.00   0.0  0
 J3Y  CONST_46  C31  C30  C29  C2    180.00   0.0  0
 J3Y  CONST_47  F33  C32  C31  C30   180.00   0.0  0
 J3Y  CONST_48  N35  C34  C32  F33   180.00   0.0  0
 J3Y  CONST_49  C9   C21  N23  C24   180.00   0.0  0
 J3Y  CONST_51  H2   C7   C6   C5    180.00   0.0  0
 J3Y  CONST_52  H1   C6   C7   C8    180.00   0.0  0
 J3Y  CONST_53  H3   C10  C9   C8    180.00   0.0  0
 J3Y  CONST_54  H23  N16  C14  C13   180.00   0.0  0
 J3Y  CONST_55  H22  C34  N35  C29   180.00   0.0  0
 J3Y  CONST_56  H21  C31  C30  C29   180.00   0.0  0
 J3Y  CONST_57  H20  C30  C31  C32   180.00   0.0  0
 J3Y  CONST_58  H4   C13  C12  N11     0.00   0.0  0
 J3Y  CONST_59  O22  C21  N23  C24     0.00   0.0  0
 J3Y  CONST_63  H24  N4   C5   C6    180.00   0.0  0
 J3Y  Var_01    C27  C28  N23  C24    50.75  30.0  1
 J3Y  Var_02    C25  C24  N23  C28   -51.79  30.0  1
 J3Y  Var_03    O26  C25  C24  N23    55.23  30.0  1
 J3Y  Var_04    O26  C27  C28  N23   -54.24  30.0  1
 J3Y  Var_05    N23  C21  C9   C8    151.63  30.0  2
 J3Y  Var_06    H18  C27  O26  C25   -62.74  30.0  1
 J3Y  Var_07    H16  C25  O26  C27  -179.19  30.0  1
 J3Y  Var_08    H5   C15  C14  C13   122.68  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
 J3Y  chir_01  C2  C1  N4  C29  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
 J3Y  plan-1  C13  0.020
 J3Y  plan-1  C15  0.020
 J3Y  plan-1  C12  0.020
 J3Y  plan-1  C14  0.020
 J3Y  plan-1  N11  0.020
 J3Y  plan-1  N16  0.020
 J3Y  plan-1  N17  0.020
 J3Y  plan-1  H4   0.020
 J3Y  plan-1  H23  0.020
 J3Y  plan-2  C2   0.020
 J3Y  plan-2  C29  0.020
 J3Y  plan-2  C30  0.020
 J3Y  plan-2  C31  0.020
 J3Y  plan-2  C32  0.020
 J3Y  plan-2  C34  0.020
 J3Y  plan-2  F33  0.020
 J3Y  plan-2  N35  0.020
 J3Y  plan-2  H20  0.020
 J3Y  plan-2  H21  0.020
 J3Y  plan-2  H22  0.020
 J3Y  plan-3  C5   0.020
 J3Y  plan-3  C6   0.020
 J3Y  plan-3  C7   0.020
 J3Y  plan-3  C8   0.020
 J3Y  plan-3  C10  0.020
 J3Y  plan-3  C12  0.020
 J3Y  plan-3  C19  0.020
 J3Y  plan-3  C9   0.020
 J3Y  plan-3  N11  0.020
 J3Y  plan-3  N20  0.020
 J3Y  plan-3  N4   0.020
 J3Y  plan-3  H1   0.020
 J3Y  plan-3  H2   0.020
 J3Y  plan-3  H3   0.020
 J3Y  plan-3  C21  0.020
 J3Y  plan-4  C5   0.020
 J3Y  plan-4  C2   0.020
 J3Y  plan-4  N4   0.020
 J3Y  plan-4  H24  0.020
 J3Y  plan-5  C24  0.020
 J3Y  plan-5  C28  0.020
 J3Y  plan-5  C9   0.020
 J3Y  plan-5  N23  0.020
 J3Y  plan-5  O22  0.020
 J3Y  plan-5  C21  0.020

