# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Aug  1 10:09:56 2021
#   Inital geometry file: a 155 line input string
#   Ligand name: 5'-O-{3-[3-(2-carboxyphenyl)-3-oxopropyl]phenyl}adenosine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](COc4cccc(CCC(=O)c5ccccc5C(O)=O)c4)[C@@H](O)[C@H]3O
#
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
 KOY  KOY  5'-O-{3-[3-(2-carboxyphenyl)-3-oxopropyl]phenyl}adenosine  ligand  63  38  .  2021-08-12  2022-11-17
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_KOY
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
 KOY  C1   C  CR56  0   0.480  12.7347  -19.9252  -6.6573
 KOY  C2   C  CR56  0   0.018  12.2732  -18.6309  -6.8453
 KOY  C3   C  CR6   0   0.456  12.1538  -18.1955  -8.1771
 KOY  C4   C  CR15  0   0.127  12.3025  -18.9364  -4.7568
 KOY  N1   N  N     0  -0.472  12.4777  -19.0532  -9.1496
 KOY  N2   N  N     0  -0.459  13.0549  -20.7920  -7.6174
 KOY  O1   O  OH1   0  -0.580  10.4035  -10.9945  -7.0753
 KOY  O2   O  O     0  -0.429  11.8190  -11.9841  -8.4993
 KOY  C6   C  CR6   0   0.010  10.1945  -13.3026  -7.3616
 KOY  C7   C  CR16  0  -0.260   9.1731  -13.6663  -8.2278
 KOY  C8   C  CR16  0  -0.232   8.4511  -14.8325  -8.0122
 KOY  C9   C  CR16  0  -0.242   8.7518  -15.6440  -6.9295
 KOY  C10  C  CR16  0  -0.304   9.7773  -15.2886  -6.0666
 KOY  C11  C  CR6   0  -0.023  10.5105  -14.1192  -6.2697
 KOY  C12  C  C     0   0.392  11.6304  -13.7341  -5.3638
 KOY  O3   O  O     0  -0.397  12.2423  -12.7074  -5.5696
 KOY  C13  C  CH2   0  -0.612  11.9792  -14.6571  -4.2312
 KOY  C15  C  CR6   0   0.145  13.5583  -15.2782  -2.4114
 KOY  C16  C  CR16  0  -0.398  13.9823  -16.5255  -2.8483
 KOY  C17  C  CR16  0  -0.347  13.4241  -15.0536  -1.0430
 KOY  C18  C  CR16  0  -0.226  13.7169  -16.0685  -0.1436
 KOY  C19  C  CR16  0  -0.392  14.1254  -17.3236  -0.5789
 KOY  C20  C  CR6   0   0.409  14.2440  -17.5535  -1.9472
 KOY  C21  C  CH2   0  -0.207  14.5736  -19.9193  -1.7377
 KOY  C22  C  CH1   0   0.023  14.3970  -21.0911  -2.6762
 KOY  O5   O  O2    0  -0.497  13.0762  -21.0940  -3.2194
 KOY  C23  C  CH1   0  -0.042  15.3307  -21.1251  -3.8861
 KOY  O6   O  OH1   0  -0.660  16.5166  -21.7921  -3.5515
 KOY  C24  C  CH1   0  -0.050  14.4808  -21.8650  -4.9237
 KOY  O7   O  OH1   0  -0.667  14.4720  -23.2450  -4.6767
 KOY  C25  C  CH1   0   0.188  13.0848  -21.3430  -4.5897
 KOY  N3   N  NR5   0  -0.550  12.7700  -20.1013  -5.3020
 KOY  N4   N  N     0  -0.456  12.0070  -18.0309  -5.6437
 KOY  C26  C  CR16  0   0.039  12.8969  -20.2732  -8.8224
 KOY  N5   N  NH2   0  -0.822  11.7466  -16.9638  -8.4992
 KOY  H1   H  HCR5  0   0.294  12.1874  -18.8091  -3.6943
 KOY  H2   H  HOH1  0   0.487  10.8736  -10.1850  -7.3287
 KOY  H4   H  HCR6  0   0.277   7.6570  -15.1043  -8.6945
 KOY  H5   H  HCR6  0   0.277   8.1972  -16.5564  -6.7589
 KOY  H6   H  HCR6  0   0.278  10.0100  -15.9448  -5.2400
 KOY  H7   H  HCH2  0   0.287  11.1092  -14.7488  -3.5720
 KOY  H8   H  HCH2  0   0.298  12.1296  -15.6600  -4.6457
 KOY  H11  H  HCR6  0   0.255  14.0906  -16.7219  -3.9093
 KOY  H12  H  HCR6  0   0.246  13.0877  -14.0894  -0.6828
 KOY  H13  H  HCR6  0   0.258  13.6222  -15.8875   0.9194
 KOY  H14  H  HCR6  0   0.277  14.3459  -18.0939   0.1482
 KOY  H15  H  HCH2  0   0.252  13.7495  -19.9131  -1.0169
 KOY  H16  H  HCH2  0   0.242  15.5042  -20.0457  -1.1745
 KOY  H17  H  HCH1  0   0.256  14.5347  -22.0011  -2.0800
 KOY  H18  H  HCH1  0   0.259  15.5294  -20.1126  -4.2518
 KOY  H19  H  HOH1  0   0.469  17.1979  -21.5519  -4.1881
 KOY  H20  H  HCH1  0   0.266  14.7828  -21.6383  -5.9513
 KOY  H21  H  HOH1  0   0.451  15.3576  -23.4944  -4.3842
 KOY  H22  H  HCH1  0   0.286  12.3111  -22.0747  -4.8379
 KOY  H23  H  HCR6  0   0.252  13.1375  -20.9227  -9.6572
 KOY  H24  H  HNH2  0   0.404  11.5881  -16.7235  -9.4626
 KOY  H25  H  HNH2  0   0.410  11.3915  -16.3436  -7.7924
 KOY  O4   O  O2    0  -0.486  14.6014  -18.7315  -2.4989
 KOY  C14  C  CH2   0  -0.502  13.2050  -14.2276  -3.4296
 KOY  H3   H  HCR6  0   0.280   8.9302  -13.0386  -9.0758
 KOY  C5   C  C     0   0.457  10.9345  -12.0406  -7.6854
 KOY  H9   H  HCH2  0   0.254  14.0494  -14.0768  -4.1065
 KOY  H10  H  HCH2  0   0.255  13.0195  -13.2728  -2.9361

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
 KOY  N5   C3   single    1.337  0.020  1.337
 KOY  N1   C3   aromatic  1.336  0.020  1.336
 KOY  N1   C26  aromatic  1.331  0.020  1.331
 KOY  C3   C2   aromatic  1.406  0.020  1.406
 KOY  C26  N2   aromatic  1.321  0.020  1.321
 KOY  C2   N4   aromatic  1.369  0.020  1.369
 KOY  C2   C1   aromatic  1.387  0.020  1.387
 KOY  O2   C5   double    1.203  0.020  1.203
 KOY  N2   C1   aromatic  1.333  0.020  1.333
 KOY  C7   C8   aromatic  1.388  0.020  1.388
 KOY  C7   C6   aromatic  1.388  0.020  1.388
 KOY  N4   C4   aromatic  1.301  0.020  1.301
 KOY  C1   N3   aromatic  1.367  0.020  1.367
 KOY  C5   O1   single    1.322  0.020  1.322
 KOY  C5   C6   single    1.498  0.020  1.498
 KOY  C8   C9   aromatic  1.386  0.020  1.386
 KOY  C6   C11  aromatic  1.400  0.020  1.400
 KOY  C4   N3   aromatic  1.369  0.020  1.369
 KOY  C9   C10  aromatic  1.387  0.020  1.387
 KOY  N3   C25  single    1.466  0.020  1.466
 KOY  C11  C10  aromatic  1.395  0.020  1.395
 KOY  C11  C12  single    1.491  0.020  1.491
 KOY  C12  O3   double    1.213  0.020  1.213
 KOY  C12  C13  single    1.502  0.020  1.502
 KOY  C25  C24  single    1.527  0.020  1.527
 KOY  C25  O5   single    1.393  0.020  1.393
 KOY  C24  O7   single    1.402  0.020  1.402
 KOY  C24  C23  single    1.532  0.020  1.532
 KOY  C13  C14  single    1.526  0.020  1.526
 KOY  C23  O6   single    1.401  0.020  1.401
 KOY  C23  C22  single    1.529  0.020  1.529
 KOY  O5   C22  single    1.428  0.020  1.428
 KOY  C14  C15  single    1.505  0.020  1.505
 KOY  C16  C15  aromatic  1.388  0.020  1.388
 KOY  C16  C20  aromatic  1.392  0.020  1.392
 KOY  C22  C21  single    1.512  0.020  1.512
 KOY  O4   C20  single    1.349  0.020  1.349
 KOY  O4   C21  single    1.411  0.020  1.411
 KOY  C15  C17  aromatic  1.393  0.020  1.393
 KOY  C20  C19  aromatic  1.393  0.020  1.393
 KOY  C17  C18  aromatic  1.387  0.020  1.387
 KOY  C19  C18  aromatic  1.390  0.020  1.390
 KOY  C4   H1   single    0.930  0.020  1.080
 KOY  O1   H2   single    0.850  0.020  0.980
 KOY  C7   H3   single    0.930  0.020  1.080
 KOY  C8   H4   single    0.930  0.020  1.080
 KOY  C9   H5   single    0.930  0.020  1.080
 KOY  C10  H6   single    0.930  0.020  1.080
 KOY  C13  H7   single    0.970  0.020  1.090
 KOY  C13  H8   single    0.970  0.020  1.090
 KOY  C14  H9   single    0.970  0.020  1.090
 KOY  C14  H10  single    0.970  0.020  1.090
 KOY  C16  H11  single    0.930  0.020  1.080
 KOY  C17  H12  single    0.930  0.020  1.080
 KOY  C18  H13  single    0.930  0.020  1.080
 KOY  C19  H14  single    0.930  0.020  1.080
 KOY  C21  H15  single    0.970  0.020  1.090
 KOY  C21  H16  single    0.970  0.020  1.090
 KOY  C22  H17  single    0.970  0.020  1.090
 KOY  C23  H18  single    0.970  0.020  1.090
 KOY  O6   H19  single    0.850  0.020  0.980
 KOY  C24  H20  single    0.970  0.020  1.090
 KOY  O7   H21  single    0.850  0.020  0.980
 KOY  C25  H22  single    0.970  0.020  1.090
 KOY  C26  H23  single    0.930  0.020  1.080
 KOY  N5   H24  single    0.860  0.020  1.020
 KOY  N5   H25  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
 KOY  N3   C1   N2   128.63  3.000
 KOY  N3   C1   C2   105.26  3.000
 KOY  N2   C1   C2   126.11  3.000
 KOY  N4   C2   C3   132.76  3.000
 KOY  N4   C2   C1   110.77  3.000
 KOY  C3   C2   C1   116.46  3.000
 KOY  N5   C3   N1   119.33  3.000
 KOY  N1   C3   C2   118.02  3.000
 KOY  N5   C3   C2   122.64  3.000
 KOY  H1   C4   N4   124.49  3.000
 KOY  H1   C4   N3   122.04  3.000
 KOY  N4   C4   N3   113.47  3.000
 KOY  C26  N1   C3   119.06  3.000
 KOY  C26  N2   C1   111.89  3.000
 KOY  H2   O1   C5   110.19  3.000
 KOY  C11  C6   C7   120.02  3.000
 KOY  C11  C6   C5   123.26  3.000
 KOY  C7   C6   C5   116.70  3.000
 KOY  H3   C7   C8   119.47  3.000
 KOY  H3   C7   C6   120.14  3.000
 KOY  C8   C7   C6   120.39  3.000
 KOY  H4   C8   C9   120.32  3.000
 KOY  H4   C8   C7   119.66  3.000
 KOY  C9   C8   C7   120.02  3.000
 KOY  H5   C9   C10  119.83  3.000
 KOY  H5   C9   C8   120.40  3.000
 KOY  C10  C9   C8   119.77  3.000
 KOY  H6   C10  C11  120.47  3.000
 KOY  H6   C10  C9   118.66  3.000
 KOY  C11  C10  C9   120.86  3.000
 KOY  C12  C11  C10  121.52  3.000
 KOY  C12  C11  C6   119.53  3.000
 KOY  C10  C11  C6   118.94  3.000
 KOY  C13  C12  O3   122.07  3.000
 KOY  C13  C12  C11  118.28  3.000
 KOY  O3   C12  C11  119.64  3.000
 KOY  H8   C13  H7   105.08  3.000
 KOY  H8   C13  C14  110.25  3.000
 KOY  H7   C13  C14  110.20  3.000
 KOY  H8   C13  C12  108.01  3.000
 KOY  H7   C13  C12  108.71  3.000
 KOY  C14  C13  C12  114.18  3.000
 KOY  C17  C15  C16  118.91  3.000
 KOY  C17  C15  C14  121.96  3.000
 KOY  C16  C15  C14  119.08  3.000
 KOY  H11  C16  C20  118.75  3.000
 KOY  H11  C16  C15  120.08  3.000
 KOY  C20  C16  C15  121.16  3.000
 KOY  H12  C17  C18  120.09  3.000
 KOY  H12  C17  C15  120.01  3.000
 KOY  C18  C17  C15  119.91  3.000
 KOY  H13  C18  C19  118.96  3.000
 KOY  H13  C18  C17  119.73  3.000
 KOY  C19  C18  C17  121.31  3.000
 KOY  H14  C19  C20  121.70  3.000
 KOY  H14  C19  C18  119.50  3.000
 KOY  C20  C19  C18  118.80  3.000
 KOY  O4   C20  C19  124.65  3.000
 KOY  C19  C20  C16  119.88  3.000
 KOY  O4   C20  C16  115.47  3.000
 KOY  H16  C21  H15  107.56  3.000
 KOY  H16  C21  C22  109.21  3.000
 KOY  H15  C21  C22  108.97  3.000
 KOY  H16  C21  O4   110.97  3.000
 KOY  H15  C21  O4   111.42  3.000
 KOY  C22  C21  O4   108.66  3.000
 KOY  H17  C22  C23  109.59  3.000
 KOY  H17  C22  O5   108.74  3.000
 KOY  C23  C22  O5   105.30  3.000
 KOY  H17  C22  C21  106.92  3.000
 KOY  O5   C22  C21  110.22  3.000
 KOY  C23  C22  C21  115.93  3.000
 KOY  C25  O5   C22  111.64  3.000
 KOY  H18  C23  C24  108.74  3.000
 KOY  H18  C23  O6   111.50  3.000
 KOY  C24  C23  O6   113.66  3.000
 KOY  H18  C23  C22  110.78  3.000
 KOY  O6   C23  C22  109.79  3.000
 KOY  C24  C23  C22  102.00  3.000
 KOY  H19  O6   C23  108.80  3.000
 KOY  H20  C24  C25  112.75  3.000
 KOY  H20  C24  O7   111.77  3.000
 KOY  C25  C24  O7   106.99  3.000
 KOY  H20  C24  C23  112.50  3.000
 KOY  O7   C24  C23  111.07  3.000
 KOY  C25  C24  C23  101.18  3.000
 KOY  H21  O7   C24  107.57  3.000
 KOY  H22  C25  N3   107.73  3.000
 KOY  H22  C25  C24  111.62  3.000
 KOY  N3   C25  C24  112.31  3.000
 KOY  H22  C25  O5   109.78  3.000
 KOY  C24  C25  O5   106.38  3.000
 KOY  N3   C25  O5   108.99  3.000
 KOY  C25  N3   C4   126.94  3.000
 KOY  C25  N3   C1   126.61  3.000
 KOY  C4   N3   C1   106.05  3.000
 KOY  C4   N4   C2   104.42  3.000
 KOY  H23  C26  N2   116.12  3.000
 KOY  H23  C26  N1   115.44  3.000
 KOY  N2   C26  N1   128.44  3.000
 KOY  H25  N5   H24  118.08  3.000
 KOY  H25  N5   C3   120.44  3.000
 KOY  H24  N5   C3   119.94  3.000
 KOY  C21  O4   C20  120.62  3.000
 KOY  H10  C14  H9   106.91  3.000
 KOY  H10  C14  C15  110.18  3.000
 KOY  H9   C14  C15  109.51  3.000
 KOY  H10  C14  C13  110.33  3.000
 KOY  H9   C14  C13  109.52  3.000
 KOY  C15  C14  C13  110.33  3.000
 KOY  C6   C5   O2   123.27  3.000
 KOY  C6   C5   O1   111.61  3.000
 KOY  O2   C5   O1   124.76  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
 KOY  CONST_01  N1   C3   C2   C1      0.00   0.0  0
 KOY  CONST_02  C4   N4   C2   C1      0.00   0.0  0
 KOY  CONST_03  N1   C26  N2   C1      0.00   0.0  0
 KOY  CONST_04  N4   C4   N3   C1      0.00   0.0  0
 KOY  CONST_05  C26  N1   C3   C2      0.00   0.0  0
 KOY  CONST_06  N3   C4   N4   C2      0.00   0.0  0
 KOY  CONST_07  C26  N2   C1   C2      0.00   0.0  0
 KOY  CONST_08  C4   N3   C1   C2      0.00   0.0  0
 KOY  CONST_09  N2   C26  N1   C3      0.00   0.0  0
 KOY  CONST_10  C4   N4   C2   C3    180.00   0.0  0
 KOY  CONST_11  N2   C1   C2   C3      0.00   0.0  0
 KOY  CONST_12  N3   C1   C2   C3    180.00   0.0  0
 KOY  CONST_13  N2   C1   N3   C4    180.00   0.0  0
 KOY  CONST_14  N4   C2   C3   N1    180.00   0.0  0
 KOY  CONST_15  N4   C2   C1   N2    180.00   0.0  0
 KOY  CONST_16  C9   C8   C7   C6      0.00   0.0  0
 KOY  CONST_17  C9   C10  C11  C6      0.00   0.0  0
 KOY  CONST_18  C10  C9   C8   C7      0.00   0.0  0
 KOY  CONST_19  C10  C11  C6   C7      0.00   0.0  0
 KOY  CONST_20  C11  C6   C7   C8      0.00   0.0  0
 KOY  CONST_21  C11  C10  C9   C8      0.00   0.0  0
 KOY  CONST_22  C19  C20  C16  C15     0.00   0.0  0
 KOY  CONST_23  C19  C18  C17  C15     0.00   0.0  0
 KOY  CONST_24  C18  C17  C15  C16     0.00   0.0  0
 KOY  CONST_25  C18  C19  C20  C16     0.00   0.0  0
 KOY  CONST_26  C20  C16  C15  C17     0.00   0.0  0
 KOY  CONST_27  C20  C19  C18  C17     0.00   0.0  0
 KOY  CONST_28  N4   C2   C1   N3      0.00   0.0  0
 KOY  CONST_29  C26  N2   C1   N3    180.00   0.0  0
 KOY  CONST_30  C25  N3   C1   C2    180.00   0.0  0
 KOY  CONST_31  C25  N3   C1   N2      0.00   0.0  0
 KOY  CONST_32  N4   C4   N3   C25   180.00   0.0  0
 KOY  CONST_33  N5   C3   C2   C1    180.00   0.0  0
 KOY  CONST_34  C8   C7   C6   C5    180.00   0.0  0
 KOY  CONST_35  C10  C11  C6   C5    180.00   0.0  0
 KOY  CONST_36  C12  C11  C6   C7    180.00   0.0  0
 KOY  CONST_37  C12  C11  C10  C9    180.00   0.0  0
 KOY  CONST_38  C20  C16  C15  C14   180.00   0.0  0
 KOY  CONST_39  C18  C17  C15  C14   180.00   0.0  0
 KOY  CONST_40  O4   C20  C16  C15   180.00   0.0  0
 KOY  CONST_41  O4   C20  C19  C18   180.00   0.0  0
 KOY  CONST_42  N5   C3   C2   N4      0.00   0.0  0
 KOY  CONST_43  N5   C3   N1   C26   180.00   0.0  0
 KOY  CONST_44  H23  C26  N2   C1    180.00   0.0  0
 KOY  CONST_45  H1   C4   N3   C1    180.00   0.0  0
 KOY  CONST_46  H4   C8   C7   C6    180.00   0.0  0
 KOY  CONST_47  H6   C10  C11  C6    180.00   0.0  0
 KOY  CONST_48  H5   C9   C8   C7    180.00   0.0  0
 KOY  CONST_49  H3   C7   C8   C9    180.00   0.0  0
 KOY  CONST_50  H13  C18  C17  C15   180.00   0.0  0
 KOY  CONST_51  H12  C17  C15  C16   180.00   0.0  0
 KOY  CONST_52  H14  C19  C20  C16   180.00   0.0  0
 KOY  CONST_53  H11  C16  C15  C17   180.00   0.0  0
 KOY  CONST_54  H24  N5   C3   C2    180.00   0.0  0
 KOY  CONST_55  H25  N5   C3   C2      0.00   0.0  0
 KOY  CONST_56  H2   O1   C5   C6    180.00   0.0  0
 KOY  Var_01    C7   C6   C5   O1     92.36  30.0  2
 KOY  Var_02    O3   C12  C11  C6      1.14  30.0  2
 KOY  Var_03    C16  C15  C14  C13    65.35  30.0  2
 KOY  Var_04    C22  C21  O4   C20   154.66  30.0  3
 KOY  Var_05    C14  C13  C12  C11   175.53  30.0  3
 KOY  Var_06    C15  C14  C13  C12  -174.29  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
 KOY  chir_01  C22  C23  O5   C21  positiv
 KOY  chir_02  C23  O6   C24  C22  negativ
 KOY  chir_03  C24  O7   C25  C23  negativ
 KOY  chir_04  C25  O5   N3   C24  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
 KOY  plan-1  C6   0.020
 KOY  plan-1  C7   0.020
 KOY  plan-1  C8   0.020
 KOY  plan-1  C9   0.020
 KOY  plan-1  C10  0.020
 KOY  plan-1  C11  0.020
 KOY  plan-1  C12  0.020
 KOY  plan-1  H4   0.020
 KOY  plan-1  H5   0.020
 KOY  plan-1  H6   0.020
 KOY  plan-1  H3   0.020
 KOY  plan-1  C5   0.020
 KOY  plan-2  C15  0.020
 KOY  plan-2  C16  0.020
 KOY  plan-2  C17  0.020
 KOY  plan-2  C18  0.020
 KOY  plan-2  C19  0.020
 KOY  plan-2  C20  0.020
 KOY  plan-2  H11  0.020
 KOY  plan-2  H12  0.020
 KOY  plan-2  H13  0.020
 KOY  plan-2  H14  0.020
 KOY  plan-2  O4   0.020
 KOY  plan-2  C14  0.020
 KOY  plan-3  C1   0.020
 KOY  plan-3  C2   0.020
 KOY  plan-3  C3   0.020
 KOY  plan-3  C4   0.020
 KOY  plan-3  N1   0.020
 KOY  plan-3  N2   0.020
 KOY  plan-3  C25  0.020
 KOY  plan-3  N3   0.020
 KOY  plan-3  N4   0.020
 KOY  plan-3  C26  0.020
 KOY  plan-3  N5   0.020
 KOY  plan-3  H1   0.020
 KOY  plan-3  H23  0.020
 KOY  plan-4  C3   0.020
 KOY  plan-4  N5   0.020
 KOY  plan-4  H24  0.020
 KOY  plan-4  H25  0.020
 KOY  plan-5  C11  0.020
 KOY  plan-5  C12  0.020
 KOY  plan-5  O3   0.020
 KOY  plan-5  C13  0.020
 KOY  plan-6  O1   0.020
 KOY  plan-6  O2   0.020
 KOY  plan-6  C6   0.020
 KOY  plan-6  H2   0.020
 KOY  plan-6  C5   0.020

