# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Mar 22 01:05:37 2022
#   Inital geometry file: a 142 line input string
#   Ligand name: 4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C=CCCn1cc(cn1)c2nc(Nc3ccc(cc3)C4CCNCC4)nc5[nH]ccc25
#
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
 R5Y  R5Y  4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine  ligand  58  31  .  2022-03-23  2022-03-23
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_R5Y
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
 R5Y  C10  C  CR16  0  -0.310  45.0858  -2.5024  -33.2649
 R5Y  C13  C  CH1   0  -0.334  44.6470  -0.6810  -36.5901
 R5Y  C15  C  CH2   0  -0.315  43.3233   0.8221  -38.1164
 R5Y  C17  C  CH2   0  -0.315  45.4677   0.0237  -38.8646
 R5Y  C20  C  CR16  0  -0.339  44.0018  -3.9835  -34.8053
 R5Y  C22  C  CR6   0   0.284  46.0643  -4.1436  -29.5339
 R5Y  C24  C  CR15  0   0.016  47.4496  -2.9030  -27.7615
 R5Y  C26  C  CH2   0  -0.313  48.7507  -1.0986  -26.6436
 R5Y  C28  C  C1    0  -0.154  46.8182   0.4410  -26.1847
 R5Y  C02  C  CR15  0   0.002  45.3642  -7.0757  -27.5108
 R5Y  C03  C  CR15  0  -0.498  45.9975  -5.8725  -27.5290
 R5Y  C04  C  CR56  0  -0.045  45.7519  -5.3042  -28.8213
 R5Y  C05  C  CR56  0   0.503  44.9564  -6.2345  -29.5271
 R5Y  C07  C  CR6   0   0.572  44.8691  -4.9471  -31.3309
 R5Y  C09  C  CR6   0   0.344  44.5207  -3.7516  -33.5237
 R5Y  C11  C  CR16  0  -0.338  45.1208  -1.5357  -34.2625
 R5Y  C12  C  CR6   0   0.181  44.6082  -1.7543  -35.5346
 R5Y  C14  C  CH2   0  -0.419  43.2451  -0.2543  -37.0366
 R5Y  C18  C  CH2   0  -0.419  45.4762  -1.0838  -37.8134
 R5Y  C19  C  CR16  0  -0.307  44.0462  -3.0075  -35.7821
 R5Y  C23  C  CR5   0  -0.193  46.8634  -3.0515  -29.0077
 R5Y  C27  C  CH2   0  -0.508  47.7603  -0.5666  -25.6093
 R5Y  C29  C  C2    0  -0.526  45.5033   0.2776  -26.2691
 R5Y  C31  C  CR15  0  -0.063  47.2200  -1.8642  -29.6842
 R5Y  N01  N  NR15  0  -0.671  44.7373  -7.2929  -28.7159
 R5Y  N06  N  N     0  -0.494  44.5046  -6.0938  -30.7606
 R5Y  N08  N  NH1   0  -0.780  44.4088  -4.7917  -32.6099
 R5Y  N16  N  NH1   0  -0.573  44.1369   0.4539  -39.2644
 R5Y  N21  N  N     0  -0.524  45.6142  -3.9903  -30.7805
 R5Y  N25  N  NR5   0  -0.268  48.0814  -1.7241  -27.7656
 R5Y  N30  N  N     0  -0.266  47.9464  -1.0758  -28.9232
 R5Y  H1   H  HCR6  0   0.295  45.4927  -2.2814  -32.2928
 R5Y  H2   H  HCH1  0   0.230  45.1283   0.1999  -36.1458
 R5Y  H3   H  HCH2  0   0.212  43.7461   1.7350  -37.6816
 R5Y  H4   H  HCH2  0   0.232  42.3214   1.0808  -38.4657
 R5Y  H5   H  HCH2  0   0.232  46.0136  -0.2968  -39.7547
 R5Y  H6   H  HCH2  0   0.213  46.0018   0.8963  -38.4715
 R5Y  H7   H  HCR6  0   0.258  43.5566  -4.9451  -35.0360
 R5Y  H8   H  HCR5  0   0.295  47.4669  -3.5356  -26.8896
 R5Y  H9   H  HCH2  0   0.278  49.4194  -1.8270  -26.1848
 R5Y  H10  H  HCH2  0   0.273  49.3620  -0.2942  -27.0490
 R5Y  H11  H  H     0   0.244  47.2669   1.3546  -26.5655
 R5Y  H12  H  HCR5  0   0.289  45.3040  -7.8103  -26.7246
 R5Y  H13  H  HCR5  0   0.255  46.5629  -5.4642  -26.7091
 R5Y  H14  H  HCR6  0   0.239  45.5640  -0.5742  -34.0281
 R5Y  H15  H  HCH2  0   0.227  42.6751   0.1158  -36.1798
 R5Y  H16  H  HCH2  0   0.215  42.6988  -1.1208  -37.4254
 R5Y  H17  H  HCH2  0   0.215  45.0702  -2.0020  -38.2524
 R5Y  H18  H  HCH2  0   0.227  46.5038  -1.3068  -37.5132
 R5Y  H19  H  HCR6  0   0.243  43.6309  -3.2353  -36.7571
 R5Y  H20  H  HCH2  0   0.251  47.2055  -1.3979  -25.1681
 R5Y  H21  H  HCH2  0   0.259  48.3489  -0.1152  -24.8054
 R5Y  H22  H  H     0   0.237  44.8638   1.0361  -26.7015
 R5Y  H23  H  H     0   0.233  45.0182  -0.6213  -25.9066
 R5Y  H24  H  HCR5  0   0.269  46.9738  -1.5739  -30.6934
 R5Y  H25  H  HNR5  0   0.411  44.1980  -8.1092  -28.9565
 R5Y  H26  H  HNH1  0   0.402  43.8909  -5.5934  -32.9358
 R5Y  H27  H  HNH1  0   0.335  43.6827  -0.3095  -39.7538

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
 R5Y  N16  C15  single    1.454  0.020  1.454
 R5Y  N16  C17  single    1.455  0.020  1.455
 R5Y  C15  C14  single    1.527  0.020  1.527
 R5Y  C17  C18  single    1.527  0.020  1.527
 R5Y  C14  C13  single    1.532  0.020  1.532
 R5Y  C18  C13  single    1.532  0.020  1.532
 R5Y  C13  C12  single    1.506  0.020  1.506
 R5Y  C19  C12  aromatic  1.395  0.020  1.395
 R5Y  C19  C20  aromatic  1.382  0.020  1.382
 R5Y  C12  C11  aromatic  1.389  0.020  1.389
 R5Y  C20  C09  aromatic  1.402  0.020  1.402
 R5Y  C11  C10  aromatic  1.390  0.020  1.390
 R5Y  C09  C10  aromatic  1.395  0.020  1.395
 R5Y  C09  N08  single    1.389  0.020  1.389
 R5Y  N08  C07  single    1.368  0.020  1.368
 R5Y  C07  N21  aromatic  1.332  0.020  1.332
 R5Y  C07  N06  aromatic  1.332  0.020  1.332
 R5Y  N21  C22  aromatic  1.334  0.020  1.334
 R5Y  N06  C05  aromatic  1.321  0.020  1.321
 R5Y  C31  C23  aromatic  1.412  0.020  1.412
 R5Y  C31  N30  aromatic  1.315  0.020  1.315
 R5Y  C22  C23  single    1.452  0.020  1.452
 R5Y  C22  C04  aromatic  1.397  0.020  1.397
 R5Y  C05  C04  aromatic  1.413  0.020  1.413
 R5Y  C05  N01  aromatic  1.351  0.020  1.351
 R5Y  C23  C24  aromatic  1.385  0.020  1.385
 R5Y  N30  N25  aromatic  1.334  0.020  1.334
 R5Y  C04  C03  aromatic  1.433  0.020  1.433
 R5Y  N01  C02  aromatic  1.376  0.020  1.376
 R5Y  C24  N25  aromatic  1.338  0.020  1.338
 R5Y  N25  C26  single    1.449  0.020  1.449
 R5Y  C03  C02  aromatic  1.360  0.020  1.360
 R5Y  C26  C27  single    1.528  0.020  1.528
 R5Y  C28  C27  single    1.495  0.020  1.495
 R5Y  C28  C29  double    1.328  0.020  1.328
 R5Y  C10  H1   single    0.930  0.020  1.080
 R5Y  C13  H2   single    0.970  0.020  1.090
 R5Y  C15  H3   single    0.970  0.020  1.090
 R5Y  C15  H4   single    0.970  0.020  1.090
 R5Y  C17  H5   single    0.970  0.020  1.090
 R5Y  C17  H6   single    0.970  0.020  1.090
 R5Y  C20  H7   single    0.930  0.020  1.080
 R5Y  C24  H8   single    0.930  0.020  1.080
 R5Y  C26  H9   single    0.970  0.020  1.090
 R5Y  C26  H10  single    0.970  0.020  1.090
 R5Y  C28  H11  single    0.930  0.020  1.080
 R5Y  C02  H12  single    0.930  0.020  1.080
 R5Y  C03  H13  single    0.930  0.020  1.080
 R5Y  C11  H14  single    0.930  0.020  1.080
 R5Y  C14  H15  single    0.970  0.020  1.090
 R5Y  C14  H16  single    0.970  0.020  1.090
 R5Y  C18  H17  single    0.970  0.020  1.090
 R5Y  C18  H18  single    0.970  0.020  1.090
 R5Y  C19  H19  single    0.930  0.020  1.080
 R5Y  C27  H20  single    0.970  0.020  1.090
 R5Y  C27  H21  single    0.970  0.020  1.090
 R5Y  C29  H22  single    0.930  0.020  1.080
 R5Y  C29  H23  single    0.930  0.020  1.080
 R5Y  C31  H24  single    0.930  0.020  1.080
 R5Y  N01  H25  single    0.860  0.020  1.020
 R5Y  N08  H26  single    0.860  0.020  1.020
 R5Y  N16  H27  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
 R5Y  H1   C10  C11  119.72  3.000
 R5Y  H1   C10  C09  120.29  3.000
 R5Y  C11  C10  C09  119.99  3.000
 R5Y  H2   C13  C18  107.27  3.000
 R5Y  H2   C13  C14  107.20  3.000
 R5Y  C18  C13  C14  109.63  3.000
 R5Y  H2   C13  C12  107.43  3.000
 R5Y  C18  C13  C12  112.72  3.000
 R5Y  C14  C13  C12  112.28  3.000
 R5Y  H4   C15  H3   106.46  3.000
 R5Y  H4   C15  N16  108.70  3.000
 R5Y  H3   C15  N16  107.95  3.000
 R5Y  H4   C15  C14  110.25  3.000
 R5Y  H3   C15  C14  109.06  3.000
 R5Y  N16  C15  C14  114.11  3.000
 R5Y  H6   C17  H5   106.41  3.000
 R5Y  H6   C17  N16  108.00  3.000
 R5Y  H5   C17  N16  108.67  3.000
 R5Y  H6   C17  C18  109.13  3.000
 R5Y  H5   C17  C18  110.20  3.000
 R5Y  N16  C17  C18  114.13  3.000
 R5Y  H7   C20  C19  119.28  3.000
 R5Y  H7   C20  C09  119.55  3.000
 R5Y  C19  C20  C09  121.17  3.000
 R5Y  N21  C22  C23  115.97  3.000
 R5Y  C23  C22  C04  124.26  3.000
 R5Y  N21  C22  C04  119.77  3.000
 R5Y  H8   C24  N25  120.83  3.000
 R5Y  H8   C24  C23  132.21  3.000
 R5Y  N25  C24  C23  106.96  3.000
 R5Y  H10  C26  H9   107.82  3.000
 R5Y  H10  C26  N25  106.86  3.000
 R5Y  H9   C26  N25  108.72  3.000
 R5Y  H10  C26  C27  111.03  3.000
 R5Y  H9   C26  C27  110.21  3.000
 R5Y  N25  C26  C27  112.04  3.000
 R5Y  H11  C28  C29  119.34  3.000
 R5Y  H11  C28  C27  116.19  3.000
 R5Y  C29  C28  C27  124.46  3.000
 R5Y  H12  C02  N01  120.40  3.000
 R5Y  H12  C02  C03  129.71  3.000
 R5Y  N01  C02  C03  109.89  3.000
 R5Y  H13  C03  C04  128.79  3.000
 R5Y  H13  C03  C02  124.76  3.000
 R5Y  C04  C03  C02  106.45  3.000
 R5Y  C05  C04  C03  106.61  3.000
 R5Y  C03  C04  C22  138.68  3.000
 R5Y  C05  C04  C22  114.71  3.000
 R5Y  N06  C05  N01  126.04  3.000
 R5Y  N01  C05  C04  107.89  3.000
 R5Y  N06  C05  C04  126.07  3.000
 R5Y  N21  C07  N08  119.54  3.000
 R5Y  N21  C07  N06  126.50  3.000
 R5Y  N08  C07  N06  113.96  3.000
 R5Y  N08  C09  C20  116.60  3.000
 R5Y  N08  C09  C10  125.52  3.000
 R5Y  C20  C09  C10  117.88  3.000
 R5Y  H14  C11  C12  119.24  3.000
 R5Y  H14  C11  C10  118.16  3.000
 R5Y  C12  C11  C10  122.60  3.000
 R5Y  C19  C12  C11  116.90  3.000
 R5Y  C11  C12  C13  121.35  3.000
 R5Y  C19  C12  C13  121.74  3.000
 R5Y  H16  C14  H15  106.61  3.000
 R5Y  H16  C14  C15  109.40  3.000
 R5Y  H15  C14  C15  110.01  3.000
 R5Y  H16  C14  C13  109.85  3.000
 R5Y  H15  C14  C13  110.05  3.000
 R5Y  C15  C14  C13  110.83  3.000
 R5Y  H18  C18  H17  106.69  3.000
 R5Y  H18  C18  C17  110.01  3.000
 R5Y  H17  C18  C17  109.26  3.000
 R5Y  H18  C18  C13  110.07  3.000
 R5Y  H17  C18  C13  109.86  3.000
 R5Y  C17  C18  C13  110.86  3.000
 R5Y  H19  C19  C12  120.17  3.000
 R5Y  H19  C19  C20  118.37  3.000
 R5Y  C12  C19  C20  121.46  3.000
 R5Y  C31  C23  C24  103.53  3.000
 R5Y  C24  C23  C22  129.76  3.000
 R5Y  C31  C23  C22  126.71  3.000
 R5Y  H21  C27  H20  106.88  3.000
 R5Y  H21  C27  C28  110.12  3.000
 R5Y  H20  C27  C28  110.39  3.000
 R5Y  H21  C27  C26  107.00  3.000
 R5Y  H20  C27  C26  109.74  3.000
 R5Y  C28  C27  C26  112.51  3.000
 R5Y  H23  C29  H22  116.77  3.000
 R5Y  H23  C29  C28  121.60  3.000
 R5Y  H22  C29  C28  121.63  3.000
 R5Y  H24  C31  N30  120.42  3.000
 R5Y  H24  C31  C23  128.08  3.000
 R5Y  N30  C31  C23  111.50  3.000
 R5Y  H25  N01  C05  125.31  3.000
 R5Y  H25  N01  C02  125.52  3.000
 R5Y  C05  N01  C02  109.16  3.000
 R5Y  C07  N06  C05  113.45  3.000
 R5Y  H26  N08  C09  115.09  3.000
 R5Y  H26  N08  C07  112.61  3.000
 R5Y  C09  N08  C07  132.30  3.000
 R5Y  H27  N16  C17  108.65  3.000
 R5Y  H27  N16  C15  108.71  3.000
 R5Y  C17  N16  C15  111.69  3.000
 R5Y  C07  N21  C22  119.49  3.000
 R5Y  N30  N25  C26  120.61  3.000
 R5Y  C26  N25  C24  126.62  3.000
 R5Y  N30  N25  C24  112.54  3.000
 R5Y  N25  N30  C31  105.48  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
 R5Y  CONST_01  C19  C12  C11  C10     0.00   0.0  0
 R5Y  CONST_02  C19  C20  C09  C10     0.00   0.0  0
 R5Y  CONST_03  C11  C12  C19  C20     0.00   0.0  0
 R5Y  CONST_04  C11  C10  C09  C20     0.00   0.0  0
 R5Y  CONST_05  N06  C07  N21  C22     0.00   0.0  0
 R5Y  CONST_06  N30  C31  C23  C22   180.00   0.0  0
 R5Y  CONST_07  N25  C24  C23  C22   180.00   0.0  0
 R5Y  CONST_08  N06  C05  C04  C22     0.00   0.0  0
 R5Y  CONST_09  N01  C05  C04  C22   180.00   0.0  0
 R5Y  CONST_10  C02  C03  C04  C22   180.00   0.0  0
 R5Y  CONST_11  N30  C31  C23  C24     0.00   0.0  0
 R5Y  CONST_12  N21  C22  C23  C24   180.00   0.0  0
 R5Y  CONST_13  C04  C22  C23  C24     0.00   0.0  0
 R5Y  CONST_14  C31  N30  N25  C24     0.00   0.0  0
 R5Y  CONST_15  N06  C05  N01  C02   180.00   0.0  0
 R5Y  CONST_16  C04  C05  N01  C02     0.00   0.0  0
 R5Y  CONST_17  C05  C04  C03  C02     0.00   0.0  0
 R5Y  CONST_18  N21  C22  C04  C03   180.00   0.0  0
 R5Y  CONST_19  C23  C22  C04  C03     0.00   0.0  0
 R5Y  CONST_20  N06  C05  C04  C03   180.00   0.0  0
 R5Y  CONST_21  N01  C05  C04  C03     0.00   0.0  0
 R5Y  CONST_22  C05  N01  C02  C03     0.00   0.0  0
 R5Y  CONST_23  C07  N21  C22  C04     0.00   0.0  0
 R5Y  CONST_24  C31  C23  C22  C04   180.00   0.0  0
 R5Y  CONST_25  C07  N06  C05  C04     0.00   0.0  0
 R5Y  CONST_26  N01  C02  C03  C04     0.00   0.0  0
 R5Y  CONST_27  N21  C07  N06  C05     0.00   0.0  0
 R5Y  CONST_28  N21  C22  C04  C05     0.00   0.0  0
 R5Y  CONST_29  C23  C22  C04  C05   180.00   0.0  0
 R5Y  CONST_30  C23  C22  N21  C07   180.00   0.0  0
 R5Y  CONST_31  N01  C05  N06  C07   180.00   0.0  0
 R5Y  CONST_32  C12  C19  C20  C09     0.00   0.0  0
 R5Y  CONST_33  C12  C11  C10  C09     0.00   0.0  0
 R5Y  CONST_34  N25  N30  C31  C23     0.00   0.0  0
 R5Y  CONST_35  N30  N25  C24  C23     0.00   0.0  0
 R5Y  CONST_36  N21  C22  C23  C31     0.00   0.0  0
 R5Y  CONST_37  N25  C24  C23  C31     0.00   0.0  0
 R5Y  CONST_38  C13  C12  C11  C10   180.00   0.0  0
 R5Y  CONST_39  C20  C19  C12  C13   180.00   0.0  0
 R5Y  CONST_40  N08  C07  N21  C22   180.00   0.0  0
 R5Y  CONST_41  C31  N30  N25  C26   180.00   0.0  0
 R5Y  CONST_42  C23  C24  N25  C26   180.00   0.0  0
 R5Y  CONST_43  N08  C07  N06  C05   180.00   0.0  0
 R5Y  CONST_44  N08  C09  C10  C11   180.00   0.0  0
 R5Y  CONST_45  N08  C09  C20  C19   180.00   0.0  0
 R5Y  CONST_46  H7   C20  C09  C10   180.00   0.0  0
 R5Y  CONST_47  H19  C19  C12  C13     0.00   0.0  0
 R5Y  CONST_48  H14  C11  C12  C13     0.00   0.0  0
 R5Y  CONST_49  H1   C10  C09  C20   180.00   0.0  0
 R5Y  CONST_50  H24  C31  C23  C22     0.00   0.0  0
 R5Y  CONST_51  H8   C24  C23  C22     0.00   0.0  0
 R5Y  CONST_52  H13  C03  C04  C22     0.00   0.0  0
 R5Y  CONST_53  H25  N01  C02  C03   180.00   0.0  0
 R5Y  CONST_54  H12  C02  C03  C04   180.00   0.0  0
 R5Y  Var_01    N16  C15  C14  C13    54.32  30.0  1
 R5Y  Var_02    N16  C17  C18  C13   -54.18  30.0  1
 R5Y  Var_03    C18  C17  N16  C15    53.21  30.0  1
 R5Y  Var_04    C14  C15  N16  C17   -53.29  30.0  1
 R5Y  Var_05    C07  N08  C09  C10    -5.79  30.0  2
 R5Y  Var_06    N21  C07  N08  C09    -2.57  30.0  2
 R5Y  Var_07    C27  C26  N25  C24   -72.38  30.0  2
 R5Y  Var_08    N25  C26  C27  C28   -58.93  30.0  2
 R5Y  Var_09    C29  C28  C27  C26   116.48  30.0  2
 R5Y  Var_10    H22  C29  C28  C27  -179.57   0.0  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
 R5Y  chir_01  C13  C14  C18  C12  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
 R5Y  plan-1  C22  0.020
 R5Y  plan-1  C24  0.020
 R5Y  plan-1  C26  0.020
 R5Y  plan-1  C23  0.020
 R5Y  plan-1  C31  0.020
 R5Y  plan-1  N25  0.020
 R5Y  plan-1  N30  0.020
 R5Y  plan-1  H8   0.020
 R5Y  plan-1  H24  0.020
 R5Y  plan-2  C10  0.020
 R5Y  plan-2  C13  0.020
 R5Y  plan-2  C20  0.020
 R5Y  plan-2  C09  0.020
 R5Y  plan-2  C11  0.020
 R5Y  plan-2  C12  0.020
 R5Y  plan-2  C19  0.020
 R5Y  plan-2  N08  0.020
 R5Y  plan-2  H1   0.020
 R5Y  plan-2  H7   0.020
 R5Y  plan-2  H14  0.020
 R5Y  plan-2  H19  0.020
 R5Y  plan-3  C28  0.020
 R5Y  plan-3  C27  0.020
 R5Y  plan-3  C29  0.020
 R5Y  plan-3  H11  0.020
 R5Y  plan-3  H22  0.020
 R5Y  plan-3  H23  0.020
 R5Y  plan-4  C22  0.020
 R5Y  plan-4  C02  0.020
 R5Y  plan-4  C03  0.020
 R5Y  plan-4  C04  0.020
 R5Y  plan-4  C05  0.020
 R5Y  plan-4  C07  0.020
 R5Y  plan-4  C23  0.020
 R5Y  plan-4  N01  0.020
 R5Y  plan-4  N06  0.020
 R5Y  plan-4  N08  0.020
 R5Y  plan-4  N21  0.020
 R5Y  plan-4  H12  0.020
 R5Y  plan-4  H13  0.020
 R5Y  plan-4  H25  0.020

