# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Mar 25 21:57:34 2022
#   Inital geometry file: a 154 line input string
#   Ligand name: [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1ccc(F)cc1c2ccnc3[nH]c(cc23)C4=CCN(CC4)[C@H]5CC[C@@H](CC5)CC(O)=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
 YOS  YOS  '[(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid'  ligand  63  34  .  2022-03-29  2022-03-29
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_YOS
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
 YOS  C4   C  CR15   0  -0.520  -1.1979   7.3639  -27.6451
 YOS  C5   C  CR16   0  -0.439   2.7570   5.8638  -26.8778
 YOS  C6   C  CR16   0  -0.083  -0.5417   3.3746  -28.3245
 YOS  C7   C  CR56   0   0.029  -0.7289   6.0217  -27.6972
 YOS  C8   C  CR6    0   0.152   0.3710   5.3151  -27.1996
 YOS  C10  C  CR6    0   0.352   1.1872   6.6373  -25.2199
 YOS  C13  C  CR56   0   0.448  -1.6461   5.3033  -28.5007
 YOS  C15  C  C      0   0.068  -3.2054   8.5712  -28.6635
 YOS  C17  C  CH2    0  -0.290  -5.0731   9.6963  -29.8720
 YOS  C20  C  CH2    0  -0.412  -7.4591  13.5223  -28.0409
 YOS  C21  C  CH2    0  -0.446  -5.4639  12.8317  -30.0653
 YOS  C22  C  CH2    0  -0.427  -6.3669  12.4929  -27.7638
 YOS  C24  C  CH1    0  -0.206  -7.0406  14.5613  -29.0818
 YOS  C26  C  CH3    0  -0.440  -0.4224   7.3657  -23.6349
 YOS  C1   C  CR16   0  -0.363   2.2356   7.2357  -24.5262
 YOS  C2   C  CR16   0  -0.402   3.5385   7.1520  -25.0018
 YOS  C3   C  CR16   0  -0.400   0.4455   3.9677  -27.5354
 YOS  C9   C  CR6    0  -0.059   1.4483   5.9548  -26.4190
 YOS  C11  C  CR6    0   0.517   3.7793   6.4623  -26.1688
 YOS  C12  C  CR5    0   0.387  -2.3469   7.4250  -28.3974
 YOS  C14  C  C1     0  -0.321  -4.1393   8.5610  -29.6214
 YOS  C18  C  CH2    0  -0.500  -3.0069   9.8022  -27.8215
 YOS  C19  C  CH2    0  -0.412  -6.5559  13.8596  -30.3499
 YOS  C23  C  CH2    0  -0.299  -3.6885  11.0100  -28.4480
 YOS  C25  C  CH1    0  -0.046  -5.9527  11.7906  -29.0544
 YOS  C27  C  CH2    0  -0.562  -8.1859  15.5230  -29.3699
 YOS  N28  N  N      0  -0.428  -1.5886   4.0216  -28.8182
 YOS  N29  N  NR15   0  -0.745  -2.6070   6.1738  -28.9069
 YOS  N30  N  NT     0  -0.440  -5.0505  10.6713  -28.8082
 YOS  O31  O  OC    -1  -0.607  -6.6854  17.1757  -30.2286
 YOS  O32  O  O      0  -0.620  -8.8272  17.2784  -30.8328
 YOS  F34  F  F      0  -0.320   5.0361   6.3742  -26.6403
 YOS  H1   H  HCR5   0   0.250  -0.7344   8.1924  -27.1352
 YOS  H2   H  HCR6   0   0.277   2.9711   5.3419  -27.8022
 YOS  H3   H  HCR6   0   0.253  -0.4685   2.3203  -28.5662
 YOS  H4   H  HCH2   0   0.209  -4.8310  10.1238  -30.8632
 YOS  H5   H  HCH2   0   0.245  -6.0887   9.2968  -29.9684
 YOS  H6   H  HCH2   0   0.218  -7.7426  14.0245  -27.1111
 YOS  H7   H  HCH2   0   0.199  -8.3590  13.0040  -28.3947
 YOS  H8   H  HCH2   0   0.226  -5.1534  12.3519  -30.9979
 YOS  H9   H  HCH2   0   0.208  -4.5807  13.3444  -29.6675
 YOS  H10  H  HCH2   0   0.221  -6.7149  11.7521  -27.0397
 YOS  H11  H  HCH2   0   0.208  -5.5042  12.9986  -27.3162
 YOS  H12  H  HCH1   0   0.194  -6.2004  15.1310  -28.6682
 YOS  H13  H  HCH3   0   0.260  -1.4962   7.2589  -23.5034
 YOS  H14  H  HCH3   0   0.230   0.0814   6.9667  -22.7507
 YOS  H15  H  HCH3   0   0.229  -0.1831   8.4282  -23.7291
 YOS  H16  H  HCR6   0   0.290   2.0608   7.7691  -23.6024
 YOS  H17  H  HCR6   0   0.282   4.3480   7.6206  -24.4577
 YOS  H18  H  HCR6   0   0.258   1.2681   3.3618  -27.1786
 YOS  H19  H  H      0   0.246  -4.2643   7.7107  -30.2835
 YOS  H20  H  HCH2   0   0.245  -3.3964   9.6294  -26.8137
 YOS  H21  H  HCH2   0   0.241  -1.9408  10.0145  -27.7072
 YOS  H22  H  HCH2   0   0.223  -6.1949  14.5990  -31.0675
 YOS  H23  H  HCH2   0   0.196  -7.4079  13.3544  -30.8227
 YOS  H24  H  HCH2   0   0.201  -3.0968  11.3466  -29.3148
 YOS  H25  H  HCH2   0   0.242  -3.6921  11.8331  -27.7325
 YOS  H26  H  HCH1   0   0.211  -6.8642  11.3383  -29.4682
 YOS  H27  H  HCH2   0   0.220  -8.5801  15.8969  -28.4152
 YOS  H28  H  HCH2   0   0.196  -9.0145  14.9691  -29.8249
 YOS  H29  H  HNR5   0   0.409  -3.4167   5.9111  -29.4455
 YOS  C16  C  C      0   0.404  -7.8626  16.7606  -30.2318
 YOS  O33  O  O2     0  -0.459  -0.0904   6.6440  -24.8034

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
 YOS  O32  C16  deloc     1.249  0.020  1.249
 YOS  C19  C21  single    1.526  0.020  1.526
 YOS  C19  C24  single    1.528  0.020  1.528
 YOS  C21  C25  single    1.531  0.020  1.531
 YOS  C16  O31  deloc     1.248  0.020  1.248
 YOS  C16  C27  single    1.542  0.020  1.542
 YOS  C17  C14  single    1.491  0.020  1.491
 YOS  C17  N30  single    1.443  0.020  1.443
 YOS  C14  C15  double    1.338  0.020  1.338
 YOS  C27  C24  single    1.523  0.020  1.523
 YOS  N29  C13  aromatic  1.359  0.020  1.359
 YOS  N29  C12  aromatic  1.376  0.020  1.376
 YOS  C24  C20  single    1.529  0.020  1.529
 YOS  C25  N30  single    1.459  0.020  1.459
 YOS  C25  C22  single    1.527  0.020  1.527
 YOS  N28  C13  aromatic  1.322  0.020  1.322
 YOS  N28  C6   aromatic  1.326  0.020  1.326
 YOS  N30  C23  single    1.449  0.020  1.449
 YOS  C15  C12  single    1.457  0.020  1.457
 YOS  C15  C18  single    1.505  0.020  1.505
 YOS  C13  C7   aromatic  1.415  0.020  1.415
 YOS  C12  C4   aromatic  1.375  0.020  1.375
 YOS  C6   C3   aromatic  1.396  0.020  1.396
 YOS  C23  C18  single    1.522  0.020  1.522
 YOS  C20  C22  single    1.526  0.020  1.526
 YOS  C7   C4   aromatic  1.423  0.020  1.423
 YOS  C7   C8   aromatic  1.399  0.020  1.399
 YOS  C3   C8   aromatic  1.391  0.020  1.391
 YOS  C8   C9   single    1.476  0.020  1.476
 YOS  C5   C9   aromatic  1.390  0.020  1.390
 YOS  C5   C11  aromatic  1.381  0.020  1.381
 YOS  F34  C11  single    1.345  0.020  1.345
 YOS  C9   C10  aromatic  1.404  0.020  1.404
 YOS  C11  C2   aromatic  1.377  0.020  1.377
 YOS  C10  O33  single    1.344  0.020  1.344
 YOS  C10  C1   aromatic  1.392  0.020  1.392
 YOS  C2   C1   aromatic  1.389  0.020  1.389
 YOS  O33  C26  single    1.413  0.020  1.413
 YOS  C4   H1   single    0.930  0.020  1.080
 YOS  C5   H2   single    0.930  0.020  1.080
 YOS  C6   H3   single    0.930  0.020  1.080
 YOS  C17  H4   single    0.970  0.020  1.090
 YOS  C17  H5   single    0.970  0.020  1.090
 YOS  C20  H6   single    0.970  0.020  1.090
 YOS  C20  H7   single    0.970  0.020  1.090
 YOS  C21  H8   single    0.970  0.020  1.090
 YOS  C21  H9   single    0.970  0.020  1.090
 YOS  C22  H10  single    0.970  0.020  1.090
 YOS  C22  H11  single    0.970  0.020  1.090
 YOS  C24  H12  single    0.970  0.020  1.090
 YOS  C26  H13  single    0.970  0.020  1.090
 YOS  C26  H14  single    0.970  0.020  1.090
 YOS  C26  H15  single    0.970  0.020  1.090
 YOS  C1   H16  single    0.930  0.020  1.080
 YOS  C2   H17  single    0.930  0.020  1.080
 YOS  C3   H18  single    0.930  0.020  1.080
 YOS  C14  H19  single    0.930  0.020  1.080
 YOS  C18  H20  single    0.970  0.020  1.090
 YOS  C18  H21  single    0.970  0.020  1.090
 YOS  C19  H22  single    0.970  0.020  1.090
 YOS  C19  H23  single    0.970  0.020  1.090
 YOS  C23  H24  single    0.970  0.020  1.090
 YOS  C23  H25  single    0.970  0.020  1.090
 YOS  C25  H26  single    0.970  0.020  1.090
 YOS  C27  H27  single    0.970  0.020  1.090
 YOS  C27  H28  single    0.970  0.020  1.090
 YOS  N29  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
 YOS  H1   C4   C12  125.75  3.000
 YOS  H1   C4   C7   126.93  3.000
 YOS  C12  C4   C7   107.30  3.000
 YOS  H2   C5   C11  120.06  3.000
 YOS  H2   C5   C9   119.97  3.000
 YOS  C11  C5   C9   119.96  3.000
 YOS  H3   C6   N28  116.41  3.000
 YOS  H3   C6   C3   119.43  3.000
 YOS  N28  C6   C3   124.15  3.000
 YOS  C13  C7   C8   117.07  3.000
 YOS  C8   C7   C4   136.28  3.000
 YOS  C13  C7   C4   106.62  3.000
 YOS  C9   C8   C3   120.57  3.000
 YOS  C9   C8   C7   122.89  3.000
 YOS  C3   C8   C7   116.46  3.000
 YOS  O33  C10  C9   116.35  3.000
 YOS  O33  C10  C1   124.01  3.000
 YOS  C9   C10  C1   119.63  3.000
 YOS  N29  C13  N28  125.47  3.000
 YOS  N28  C13  C7   126.90  3.000
 YOS  N29  C13  C7   107.63  3.000
 YOS  C18  C15  C14  119.94  3.000
 YOS  C18  C15  C12  117.63  3.000
 YOS  C14  C15  C12  122.43  3.000
 YOS  H5   C17  H4   105.37  3.000
 YOS  H5   C17  N30  109.01  3.000
 YOS  H4   C17  N30  113.32  3.000
 YOS  H5   C17  C14  108.52  3.000
 YOS  H4   C17  C14  107.92  3.000
 YOS  N30  C17  C14  112.37  3.000
 YOS  H7   C20  H6   106.16  3.000
 YOS  H7   C20  C24  109.02  3.000
 YOS  H6   C20  C24  109.73  3.000
 YOS  H7   C20  C22  109.08  3.000
 YOS  H6   C20  C22  109.92  3.000
 YOS  C24  C20  C22  112.71  3.000
 YOS  H9   C21  H8   106.61  3.000
 YOS  H9   C21  C25  109.62  3.000
 YOS  H8   C21  C25  110.81  3.000
 YOS  H9   C21  C19  109.22  3.000
 YOS  H8   C21  C19  109.85  3.000
 YOS  C25  C21  C19  110.64  3.000
 YOS  H11  C22  H10  107.04  3.000
 YOS  H11  C22  C25  110.13  3.000
 YOS  H10  C22  C25  109.55  3.000
 YOS  H11  C22  C20  109.05  3.000
 YOS  H10  C22  C20  110.47  3.000
 YOS  C25  C22  C20  110.55  3.000
 YOS  H12  C24  C27  108.64  3.000
 YOS  H12  C24  C19  107.98  3.000
 YOS  C27  C24  C19  111.81  3.000
 YOS  H12  C24  C20  107.82  3.000
 YOS  C27  C24  C20  110.61  3.000
 YOS  C19  C24  C20  109.86  3.000
 YOS  H15  C26  H14  108.88  3.000
 YOS  H15  C26  H13  108.79  3.000
 YOS  H14  C26  H13  108.75  3.000
 YOS  H15  C26  O33  111.95  3.000
 YOS  H14  C26  O33  111.98  3.000
 YOS  H13  C26  O33  106.38  3.000
 YOS  H16  C1   C2   118.29  3.000
 YOS  H16  C1   C10  121.07  3.000
 YOS  C2   C1   C10  120.64  3.000
 YOS  H17  C2   C11  120.81  3.000
 YOS  H17  C2   C1   120.22  3.000
 YOS  C11  C2   C1   118.97  3.000
 YOS  H18  C3   C8   120.24  3.000
 YOS  H18  C3   C6   119.08  3.000
 YOS  C8   C3   C6   120.68  3.000
 YOS  C10  C9   C8   121.77  3.000
 YOS  C10  C9   C5   119.26  3.000
 YOS  C8   C9   C5   118.96  3.000
 YOS  F34  C11  C2   119.56  3.000
 YOS  C2   C11  C5   121.53  3.000
 YOS  F34  C11  C5   118.91  3.000
 YOS  N29  C12  C15  122.45  3.000
 YOS  C15  C12  C4   128.87  3.000
 YOS  N29  C12  C4   108.68  3.000
 YOS  H19  C14  C17  114.96  3.000
 YOS  H19  C14  C15  121.56  3.000
 YOS  C17  C14  C15  123.48  3.000
 YOS  H21  C18  H20  106.36  3.000
 YOS  H21  C18  C23  109.01  3.000
 YOS  H20  C18  C23  110.19  3.000
 YOS  H21  C18  C15  110.25  3.000
 YOS  H20  C18  C15  109.83  3.000
 YOS  C23  C18  C15  111.09  3.000
 YOS  H23  C19  H22  106.58  3.000
 YOS  H23  C19  C24  108.82  3.000
 YOS  H22  C19  C24  109.83  3.000
 YOS  H23  C19  C21  109.01  3.000
 YOS  H22  C19  C21  110.00  3.000
 YOS  C24  C19  C21  112.42  3.000
 YOS  H25  C23  H24  106.69  3.000
 YOS  H25  C23  N30  109.66  3.000
 YOS  H24  C23  N30  112.36  3.000
 YOS  H25  C23  C18  109.29  3.000
 YOS  H24  C23  C18  109.01  3.000
 YOS  N30  C23  C18  109.74  3.000
 YOS  H26  C25  N30  105.12  3.000
 YOS  H26  C25  C22  106.43  3.000
 YOS  N30  C25  C22  112.22  3.000
 YOS  H26  C25  C21  107.23  3.000
 YOS  C22  C25  C21  109.39  3.000
 YOS  N30  C25  C21  115.83  3.000
 YOS  H28  C27  H27  105.17  3.000
 YOS  H28  C27  C16  109.40  3.000
 YOS  H27  C27  C16  106.73  3.000
 YOS  H28  C27  C24  109.15  3.000
 YOS  H27  C27  C24  108.69  3.000
 YOS  C16  C27  C24  117.05  3.000
 YOS  C13  N28  C6   114.71  3.000
 YOS  H29  N29  C12  125.95  3.000
 YOS  H29  N29  C13  124.14  3.000
 YOS  C12  N29  C13  109.77  3.000
 YOS  C25  N30  C23  116.36  3.000
 YOS  C23  N30  C17  110.85  3.000
 YOS  C25  N30  C17  112.60  3.000
 YOS  O32  C16  O31  126.28  3.000
 YOS  O31  C16  C27  117.59  3.000
 YOS  O32  C16  C27  116.08  3.000
 YOS  C26  O33  C10  118.83  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
 YOS  CONST_01  C13  N29  C12  C4      0.00   0.0  0
 YOS  CONST_02  N29  C13  C7   C4      0.00   0.0  0
 YOS  CONST_03  N28  C13  C7   C4    180.00   0.0  0
 YOS  CONST_04  C3   C8   C7   C4    180.00   0.0  0
 YOS  CONST_05  C9   C8   C7   C4      0.00   0.0  0
 YOS  CONST_08  C1   C10  C9   C5      0.00   0.0  0
 YOS  CONST_09  C1   C2   C11  C5      0.00   0.0  0
 YOS  CONST_10  N29  C13  N28  C6    180.00   0.0  0
 YOS  CONST_11  C7   C13  N28  C6      0.00   0.0  0
 YOS  CONST_12  C7   C8   C3   C6      0.00   0.0  0
 YOS  CONST_13  C9   C8   C3   C6    180.00   0.0  0
 YOS  CONST_14  C12  N29  C13  C7      0.00   0.0  0
 YOS  CONST_15  N29  C12  C4   C7      0.00   0.0  0
 YOS  CONST_17  N29  C13  C7   C8    180.00   0.0  0
 YOS  CONST_18  N28  C13  C7   C8      0.00   0.0  0
 YOS  CONST_19  C12  C4   C7   C8    180.00   0.0  0
 YOS  CONST_20  N28  C6   C3   C8      0.00   0.0  0
 YOS  CONST_21  C11  C5   C9   C8    180.00   0.0  0
 YOS  CONST_22  C1   C10  C9   C8    180.00   0.0  0
 YOS  CONST_24  C11  C5   C9   C10     0.00   0.0  0
 YOS  CONST_25  C11  C2   C1   C10     0.00   0.0  0
 YOS  CONST_26  C3   C6   N28  C13     0.00   0.0  0
 YOS  CONST_27  C12  C4   C7   C13     0.00   0.0  0
 YOS  CONST_28  C3   C8   C7   C13     0.00   0.0  0
 YOS  CONST_29  C9   C8   C7   C13   180.00   0.0  0
 YOS  CONST_30  C9   C5   C11  C2      0.00   0.0  0
 YOS  CONST_31  C9   C10  C1   C2      0.00   0.0  0
 YOS  CONST_32  N28  C13  N29  C12   180.00   0.0  0
 YOS  CONST_33  C15  C12  C4   C7    180.00   0.0  0
 YOS  CONST_34  C15  C12  N29  C13   180.00   0.0  0
 YOS  CONST_35  O33  C10  C9   C5    180.00   0.0  0
 YOS  CONST_36  O33  C10  C9   C8      0.00   0.0  0
 YOS  CONST_37  F34  C11  C2   C1    180.00   0.0  0
 YOS  CONST_38  O33  C10  C1   C2    180.00   0.0  0
 YOS  CONST_39  F34  C11  C5   C9    180.00   0.0  0
 YOS  CONST_40  H29  N29  C12  C4    180.00   0.0  0
 YOS  CONST_41  H17  C2   C11  C5    180.00   0.0  0
 YOS  CONST_42  H18  C3   C8   C7    180.00   0.0  0
 YOS  CONST_43  H1   C4   C7   C8      0.00   0.0  0
 YOS  CONST_44  H3   C6   C3   C8    180.00   0.0  0
 YOS  CONST_45  H2   C5   C9   C8      0.00   0.0  0
 YOS  CONST_46  H16  C1   C10  C9    180.00   0.0  0
 YOS  Var_01    C14  C15  C12  C4    166.28  30.0  1
 YOS  Var_02    N30  C17  C14  C15   -12.21  30.0  1
 YOS  Var_03    N30  C23  C18  C15    49.01  30.0  1
 YOS  Var_04    C12  C15  C14  C17   177.04  30.0  1
 YOS  Var_05    C18  C23  N30  C17   -66.84  30.0  1
 YOS  Var_06    C25  C21  C19  C24    56.99  30.0  1
 YOS  Var_07    C25  C22  C20  C24   -56.83  30.0  1
 YOS  Var_08    C23  C18  C15  C12   164.58  30.0  1
 YOS  Var_09    C25  N30  C17  C14   179.45  30.0  1
 YOS  Var_10    C9   C10  O33  C26  -177.21  30.0  2
 YOS  Var_11    O32  C16  C27  C24   156.52  30.0  2
 YOS  Var_12    H13  C26  O33  C10   178.39  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
 YOS  chir_01  C24  C19  C27  C20  negativ
 YOS  chir_02  C25  N30  C22  C21  negativ

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
 YOS  plan-1  C5   0.020
 YOS  plan-1  C8   0.020
 YOS  plan-1  C10  0.020
 YOS  plan-1  C1   0.020
 YOS  plan-1  C2   0.020
 YOS  plan-1  C9   0.020
 YOS  plan-1  C11  0.020
 YOS  plan-1  F34  0.020
 YOS  plan-1  H2   0.020
 YOS  plan-1  H16  0.020
 YOS  plan-1  H17  0.020
 YOS  plan-1  O33  0.020
 YOS  plan-2  C27  0.020
 YOS  plan-2  O31  0.020
 YOS  plan-2  O32  0.020
 YOS  plan-2  C16  0.020
 YOS  plan-3  C4   0.020
 YOS  plan-3  C6   0.020
 YOS  plan-3  C7   0.020
 YOS  plan-3  C8   0.020
 YOS  plan-3  C13  0.020
 YOS  plan-3  C15  0.020
 YOS  plan-3  C3   0.020
 YOS  plan-3  C9   0.020
 YOS  plan-3  C12  0.020
 YOS  plan-3  N28  0.020
 YOS  plan-3  N29  0.020
 YOS  plan-3  H1   0.020
 YOS  plan-3  H3   0.020
 YOS  plan-3  H18  0.020
 YOS  plan-3  H29  0.020

