# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue May 12 23:49:54 2020
#   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  62  38  .  2021-08-12  2021-08-12  
;
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   0.492   4.1081   1.6869  -0.4189
 KOY  C2   C  CR56   0  -0.011   3.5374   2.5129   0.5359
 KOY  C3   C  CR6    0   0.460   3.8221   3.8862   0.4227
 KOY  C4   C  CR15   0   0.116   2.9020   0.5584   1.0151
 KOY  N1   N  N      0  -0.474   4.6073   4.2816  -0.5858
 KOY  N2   N  N      0  -0.456   4.8889   2.0648  -1.4277
 KOY  C6   C  CR6    0  -0.113  -4.7064   2.1193  -0.8252
 KOY  C7   C  CR16   0  -0.287  -4.6363   3.5051  -0.9172
 KOY  C8   C  CR16   0  -0.253  -5.0595   4.3096   0.1309
 KOY  C9   C  CR16   0  -0.249  -5.5622   3.7287   1.2879
 KOY  C10  C  CR16   0  -0.292  -5.6378   2.3465   1.3908
 KOY  C11  C  CR6    0  -0.018  -5.2053   1.5412   0.3415
 KOY  C12  C  C      0   0.383  -5.2813   0.0530   0.5211
 KOY  O3   O  O      0  -0.427  -6.3546  -0.5110   0.5672
 KOY  C13  C  CH2    0  -0.536  -3.9926  -0.6241   0.9114
 KOY  C15  C  CR6    0   0.140  -2.6714  -2.7343   1.0869
 KOY  C16  C  CR16   0  -0.404  -1.5645  -2.5926   0.2612
 KOY  C17  C  CR16   0  -0.341  -2.5251  -3.3978   2.3050
 KOY  C18  C  CR16   0  -0.225  -1.2901  -3.9065   2.6726
 KOY  C19  C  CR16   0  -0.399  -0.1790  -3.7655   1.8488
 KOY  C20  C  CR6    0   0.405  -0.3207  -3.0995   0.6341
 KOY  C21  C  CH2    0  -0.185   1.9907  -3.2904   0.1173
 KOY  C22  C  CH1    0  -0.043   2.9208  -2.8380  -0.9899
 KOY  O5   O  O2     0  -0.486   2.8202  -1.4250  -1.1807
 KOY  C23  C  CH1    0  -0.030   4.3821  -3.1164  -0.6582
 KOY  O6   O  OH1    0  -0.666   5.0891  -3.2905  -1.8566
 KOY  C24  C  CH1    0  -0.050   4.7818  -1.8081   0.0303
 KOY  O7   O  OH1    0  -0.652   6.1447  -1.5133  -0.0034
 KOY  C25  C  CH1    0   0.211   4.0084  -0.7873  -0.8032
 KOY  N3   N  NR5    0  -0.540   3.6943   0.4262  -0.0943
 KOY  N4   N  N      0  -0.448   2.7843   1.7859   1.4224
 KOY  C26  C  CR16   0   0.047   5.0813   3.3724  -1.4332
 KOY  N5   N  NH2    0  -0.816   3.3365   4.7969   1.2671
 KOY  H1   H  HCR5   0   0.289   2.4289  -0.2926   1.4823
 KOY  H5   H  HCR6   0   0.257  -5.8969   4.3487   2.1097
 KOY  H6   H  HCR6   0   0.256  -6.0258   1.8968   2.2969
 KOY  H7   H  HCH2   0   0.263  -3.1533  -0.1511   0.4014
 KOY  H8   H  HCH2   0   0.267  -3.8495  -0.4092   1.9791
 KOY  H11  H  HCR6   0   0.251  -1.6597  -2.0761  -0.6884
 KOY  H12  H  HCR6   0   0.244  -3.3788  -3.5155   2.9613
 KOY  H13  H  HCR6   0   0.256  -1.1804  -4.4268   3.6157
 KOY  H14  H  HCR6   0   0.278   0.7688  -4.1792   2.1654
 KOY  H15  H  HCH2   0   0.222   2.2786  -2.8500   1.0807
 KOY  H16  H  HCH2   0   0.246   2.0681  -4.3788   0.2211
 KOY  H17  H  HCH1   0   0.272   2.6327  -3.3354  -1.9210
 KOY  H18  H  HCH1   0   0.257   4.4915  -3.9801   0.0113
 KOY  H19  H  HOH1   0   0.451   6.0225  -3.1231  -1.6801
 KOY  H20  H  HCH1   0   0.251   4.3977  -1.8145   1.0585
 KOY  H21  H  HOH1   0   0.471   6.5783  -1.9559   0.7332
 KOY  H22  H  HCH1   0   0.265   4.5986  -0.4838  -1.6748
 KOY  H23  H  HCR6   0   0.253   5.7078   3.7602  -2.2294
 KOY  H24  H  HNH2   0   0.412   2.7946   4.5262   2.0688
 KOY  H25  H  HNH2   0   0.404   3.6116   5.7604   1.1835
 KOY  H3   H  HCR6   0   0.249  -4.2531   3.9538  -1.8244
 KOY  C5   C  C      0   0.412  -4.3002   1.2276  -1.9814
 KOY  O4   O  O2     0  -0.475   0.6859  -2.9008  -0.2438
 KOY  C14  C  CH2    0  -0.506  -3.9877  -2.1321   0.6818
 KOY  H4   H  HCR6   0   0.254  -5.0022   5.3872   0.0453
 KOY  H9   H  HCH2   0   0.245  -4.7970  -2.5985   1.2451
 KOY  O1   O  OC    -1  -0.577  -3.7670   1.7613  -2.9674
 KOY  O2   O  O      0  -0.571  -4.5571   0.0133  -1.8277
 KOY  H10  H  HCH2   0   0.251  -4.1778  -2.3257  -0.3756

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    1.334  0.020  1.334
 KOY  N1   C3   aromatic  1.338  0.020  1.338
 KOY  N1   C26  aromatic  1.330  0.020  1.330
 KOY  C3   C2   aromatic  1.407  0.020  1.407
 KOY  C26  N2   aromatic  1.322  0.020  1.322
 KOY  C2   N4   aromatic  1.372  0.020  1.372
 KOY  C2   C1   aromatic  1.386  0.020  1.386
 KOY  O2   C5   deloc     1.251  0.020  1.251
 KOY  N2   C1   aromatic  1.330  0.020  1.330
 KOY  C7   C8   aromatic  1.387  0.020  1.387
 KOY  C7   C6   aromatic  1.391  0.020  1.391
 KOY  N4   C4   aromatic  1.299  0.020  1.299
 KOY  C1   N3   aromatic  1.366  0.020  1.366
 KOY  C5   O1   deloc     1.241  0.020  1.241
 KOY  C5   C6   single    1.516  0.020  1.516
 KOY  C8   C9   aromatic  1.389  0.020  1.389
 KOY  C6   C11  aromatic  1.394  0.020  1.394
 KOY  C4   N3   aromatic  1.370  0.020  1.370
 KOY  C9   C10  aromatic  1.388  0.020  1.388
 KOY  N3   C25  single    1.440  0.020  1.440
 KOY  C11  C10  aromatic  1.392  0.020  1.392
 KOY  C11  C12  single    1.501  0.020  1.501
 KOY  C12  O3   double    1.213  0.020  1.213
 KOY  C12  C13  single    1.507  0.020  1.507
 KOY  C25  C24  single    1.528  0.020  1.528
 KOY  C25  O5   single    1.400  0.020  1.400
 KOY  C24  O7   single    1.395  0.020  1.395
 KOY  C24  C23  single    1.531  0.020  1.531
 KOY  C13  C14  single    1.525  0.020  1.525
 KOY  C23  O6   single    1.402  0.020  1.402
 KOY  C23  C22  single    1.524  0.020  1.524
 KOY  O5   C22  single    1.429  0.020  1.429
 KOY  C14  C15  single    1.503  0.020  1.503
 KOY  C16  C15  aromatic  1.388  0.020  1.388
 KOY  C16  C20  aromatic  1.394  0.020  1.394
 KOY  C22  C21  single    1.515  0.020  1.515
 KOY  O4   C20  single    1.350  0.020  1.350
 KOY  O4   C21  single    1.409  0.020  1.409
 KOY  C15  C17  aromatic  1.395  0.020  1.395
 KOY  C20  C19  aromatic  1.392  0.020  1.392
 KOY  C17  C18  aromatic  1.385  0.020  1.385
 KOY  C19  C18  aromatic  1.390  0.020  1.390
 KOY  C4   H1   single    0.930  0.020  1.080
 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   128.33  3.000
 KOY  N3   C1   C2   105.17  3.000
 KOY  N2   C1   C2   126.51  3.000
 KOY  N4   C2   C3   132.88  3.000
 KOY  N4   C2   C1   110.82  3.000
 KOY  C3   C2   C1   116.30  3.000
 KOY  N5   C3   N1   119.29  3.000
 KOY  N1   C3   C2   117.89  3.000
 KOY  N5   C3   C2   122.81  3.000
 KOY  H1   C4   N4   124.71  3.000
 KOY  H1   C4   N3   121.85  3.000
 KOY  N4   C4   N3   113.44  3.000
 KOY  C26  N1   C3   119.17  3.000
 KOY  C26  N2   C1   111.69  3.000
 KOY  C11  C6   C7   119.12  3.000
 KOY  C11  C6   C5   119.36  3.000
 KOY  C7   C6   C5   121.48  3.000
 KOY  H3   C7   C8   120.06  3.000
 KOY  H3   C7   C6   119.11  3.000
 KOY  C8   C7   C6   120.83  3.000
 KOY  H4   C8   C9   120.10  3.000
 KOY  H4   C8   C7   120.09  3.000
 KOY  C9   C8   C7   119.82  3.000
 KOY  H5   C9   C10  119.82  3.000
 KOY  H5   C9   C8   120.32  3.000
 KOY  C10  C9   C8   119.86  3.000
 KOY  H6   C10  C11  120.12  3.000
 KOY  H6   C10  C9   119.65  3.000
 KOY  C11  C10  C9   120.23  3.000
 KOY  C12  C11  C10  117.89  3.000
 KOY  C12  C11  C6   121.96  3.000
 KOY  C10  C11  C6   120.15  3.000
 KOY  C13  C12  O3   122.52  3.000
 KOY  C13  C12  C11  115.67  3.000
 KOY  O3   C12  C11  120.68  3.000
 KOY  H8   C13  H7   105.64  3.000
 KOY  H8   C13  C14  109.83  3.000
 KOY  H7   C13  C14  110.86  3.000
 KOY  H8   C13  C12  105.98  3.000
 KOY  H7   C13  C12  110.01  3.000
 KOY  C14  C13  C12  114.07  3.000
 KOY  C17  C15  C16  118.97  3.000
 KOY  C17  C15  C14  121.19  3.000
 KOY  C16  C15  C14  119.80  3.000
 KOY  H11  C16  C20  119.05  3.000
 KOY  H11  C16  C15  119.94  3.000
 KOY  C20  C16  C15  121.01  3.000
 KOY  H12  C17  C18  120.13  3.000
 KOY  H12  C17  C15  119.88  3.000
 KOY  C18  C17  C15  119.99  3.000
 KOY  H13  C18  C19  118.94  3.000
 KOY  H13  C18  C17  119.86  3.000
 KOY  C19  C18  C17  121.20  3.000
 KOY  H14  C19  C20  121.84  3.000
 KOY  H14  C19  C18  119.22  3.000
 KOY  C20  C19  C18  118.95  3.000
 KOY  O4   C20  C19  124.17  3.000
 KOY  C19  C20  C16  119.88  3.000
 KOY  O4   C20  C16  115.95  3.000
 KOY  H16  C21  H15  107.26  3.000
 KOY  H16  C21  C22  108.81  3.000
 KOY  H15  C21  C22  111.14  3.000
 KOY  H16  C21  O4   111.36  3.000
 KOY  H15  C21  O4   110.91  3.000
 KOY  C22  C21  O4   107.38  3.000
 KOY  H17  C22  C23  110.77  3.000
 KOY  H17  C22  O5   108.49  3.000
 KOY  C23  C22  O5   106.09  3.000
 KOY  H17  C22  C21  108.93  3.000
 KOY  O5   C22  C21  110.46  3.000
 KOY  C23  C22  C21  112.02  3.000
 KOY  C25  O5   C22  110.76  3.000
 KOY  H18  C23  C24  111.83  3.000
 KOY  H18  C23  O6   111.91  3.000
 KOY  C24  C23  O6   111.02  3.000
 KOY  H18  C23  C22  111.83  3.000
 KOY  O6   C23  C22  108.67  3.000
 KOY  C24  C23  C22  101.07  3.000
 KOY  H19  O6   C23  108.05  3.000
 KOY  H20  C24  C25  109.74  3.000
 KOY  H20  C24  O7   111.45  3.000
 KOY  C25  C24  O7   109.89  3.000
 KOY  H20  C24  C23  108.96  3.000
 KOY  O7   C24  C23  115.14  3.000
 KOY  C25  C24  C23  101.15  3.000
 KOY  H21  O7   C24  108.94  3.000
 KOY  H22  C25  N3   106.01  3.000
 KOY  H22  C25  C24  110.26  3.000
 KOY  N3   C25  C24  113.88  3.000
 KOY  H22  C25  O5   111.64  3.000
 KOY  C24  C25  O5   105.80  3.000
 KOY  N3   C25  O5   109.35  3.000
 KOY  C25  N3   C4   127.32  3.000
 KOY  C25  N3   C1   126.49  3.000
 KOY  C4   N3   C1   106.18  3.000
 KOY  C4   N4   C2   104.39  3.000
 KOY  H23  C26  N2   116.16  3.000
 KOY  H23  C26  N1   115.40  3.000
 KOY  N2   C26  N1   128.44  3.000
 KOY  H25  N5   H24  118.17  3.000
 KOY  H25  N5   C3   120.14  3.000
 KOY  H24  N5   C3   121.17  3.000
 KOY  C6   C5   O2   114.98  3.000
 KOY  C6   C5   O1   117.91  3.000
 KOY  O2   C5   O1   127.10  3.000
 KOY  C21  O4   C20  118.88  3.000
 KOY  H10  C14  H9   107.17  3.000
 KOY  H10  C14  C15  110.03  3.000
 KOY  H9   C14  C15  109.83  3.000
 KOY  H10  C14  C13  108.69  3.000
 KOY  H9   C14  C13  110.03  3.000
 KOY  C15  C14  C13  111.00  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      0.00   0.0  0
 KOY  CONST_55  H25  N5   C3   C2    180.00   0.0  0
 KOY  Var_01    C7   C6   C5   O1      7.52  30.0  2
 KOY  Var_02    O3   C12  C11  C6   -111.80  30.0  2
 KOY  Var_03    C16  C15  C14  C13   -76.66  30.0  2
 KOY  Var_04    C22  C21  O4   C20  -174.93  30.0  3
 KOY  Var_05    C14  C13  C12  C11  -162.62  30.0  3
 KOY  Var_06    C15  C14  C13  C12   179.72  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  H5   0.020
 KOY  plan-1  H6   0.020
 KOY  plan-1  H3   0.020
 KOY  plan-1  C5   0.020
 KOY  plan-1  H4   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  C6   0.020
 KOY  plan-6  C5   0.020
 KOY  plan-6  O1   0.020
 KOY  plan-6  O2   0.020

