# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Apr 14 10:40:48 2020
#   Inital geometry file: a 165 line input string
#   Ligand name: N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylprop-2-enamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN(C(=O)C=C)c1cc(Oc2ccccc2OCCN3C=CC(=O)NC3=O)c(C)c4cc(ccc14)C#N
#
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
 9KG  9KG  N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)-N-methylprop-2-enamide  ligand  61  37  .  2021-08-06  2021-08-06  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_9KG
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
 9KG  N1   N  NR6   0  -0.539  -2.3419  -0.4219  -1.6117
 9KG  C2   C  CR6   0   0.368  -1.8436   2.8591   0.8370
 9KG  N2   N  NR16  0  -0.730  -1.3517  -2.5144  -1.5310
 9KG  N3   N  NT    0  -0.583   2.5511   1.1883  -1.2130
 9KG  C4   C  CR16  0  -0.323  -0.8930   3.5497   2.9530
 9KG  N4   N  NS    0  -0.252   1.6259  -6.2596   0.0156
 9KG  C6   C  CR16  0  -0.248  -2.1094   5.1245   1.6199
 9KG  C7   C  CH2   0  -0.248  -2.7972   1.9971  -1.1741
 9KG  C9   C  CR6   0   0.748  -1.3585  -1.2642  -2.0884
 9KG  C1   C  CR16  0  -0.380  -2.3402   4.1452   0.6597
 9KG  C10  C  CR6   0   0.568  -2.2121  -3.0313  -0.5754
 9KG  C11  C  CR16  0  -0.508  -3.2318  -2.0988  -0.1680
 9KG  C12  C  CR16  0   0.119  -3.2481  -0.8624  -0.6954
 9KG  C13  C  CR6   0   0.361   0.0725   0.5806   1.4672
 9KG  C14  C  CR6   0  -0.074   0.0822  -0.7856   1.6252
 9KG  C15  C  CR66  0   0.115   0.9069  -1.5447   0.7476
 9KG  C16  C  CR66  0   0.119   1.7142  -0.9050  -0.2331
 9KG  C17  C  CR6   0   0.284   1.7216   0.5092  -0.2824
 9KG  C18  C  CR16  0  -0.342   0.9135   1.2310   0.5451
 9KG  C19  C  CR16  0  -0.332   0.9251  -2.9560   0.7987
 9KG  C20  C  CR6   0   0.004   1.6776  -3.6831  -0.0916
 9KG  C21  C  CR16  0  -0.261   2.4649  -3.0447  -1.0770
 9KG  C22  C  CR16  0  -0.298   2.4793  -1.6823  -1.1310
 9KG  C23  C  CSP   0   0.054   1.6461  -5.1082  -0.0281
 9KG  C24  C  CH3   0  -0.738  -0.7758  -1.4392   2.6687
 9KG  C25  C  C     0   0.520   3.8400   1.4214  -0.8464
 9KG  C26  C  C1    0  -0.334   4.6689   2.2443  -1.7659
 9KG  C27  C  CH3   0  -0.569   1.9200   1.6799  -2.4302
 9KG  C28  C  C2    0  -0.465   5.9760   2.3764  -1.5659
 9KG  C3   C  CR6   0   0.239  -1.1280   2.5687   2.0084
 9KG  C5   C  CR16  0  -0.277  -1.3844   4.8357   2.7630
 9KG  C8   C  CH2   0  -0.306  -2.4210   0.9250  -2.1739
 9KG  O1   O  O2    0  -0.501  -0.7409   1.2885   2.2944
 9KG  O2   O  O2    0  -0.460  -1.9739   1.8458  -0.0374
 9KG  O3   O  O     0  -0.477  -0.5598  -0.9384  -2.9428
 9KG  O4   O  O     0  -0.462  -2.0679  -4.1683  -0.1652
 9KG  O5   O  O     0  -0.476   4.2905   0.9699   0.1959
 9KG  H1   H  HNR6  0   0.421  -0.6237  -3.1301  -1.8712
 9KG  H2   H  HCR6  0   0.273  -0.3371   3.2945   3.8464
 9KG  H3   H  HCR6  0   0.264  -2.5077   6.1179   1.4620
 9KG  H4   H  HCH2  0   0.274  -2.6319   2.9506  -1.6824
 9KG  H5   H  HCH2  0   0.254  -3.8523   1.9621  -0.8854
 9KG  H6   H  HCR6  0   0.285  -2.9179   4.4025  -0.2175
 9KG  H7   H  HCR6  0   0.293  -3.9735  -2.3947   0.5575
 9KG  H8   H  HCR6  0   0.323  -4.0111  -0.1558  -0.4047
 9KG  H9   H  HCR6  0   0.287   0.9383   2.3131   0.4984
 9KG  H10  H  HCR6  0   0.278   0.3289  -3.4834   1.5284
 9KG  H11  H  HCR6  0   0.278   3.0427  -3.6346  -1.7747
 9KG  H12  H  HCR6  0   0.257   3.0765  -1.1889  -1.8855
 9KG  H13  H  HCH3  0   0.259  -1.7537  -1.7088   2.2639
 9KG  H14  H  HCH3  0   0.250  -0.3208  -2.3475   3.0574
 9KG  H15  H  HCH3  0   0.263  -0.9473  -0.7838   3.5189
 9KG  H16  H  H     0   0.279   4.2055   2.7534  -2.5996
 9KG  H17  H  HCH3  0   0.264   2.5842   1.5910  -3.2862
 9KG  H18  H  HCH3  0   0.275   1.0497   1.0640  -2.6388
 9KG  H19  H  HCH3  0   0.254   1.5941   2.7173  -2.3364
 9KG  H20  H  H     0   0.264   6.5810   2.9816  -2.2266
 9KG  H21  H  H     0   0.261   6.4835   1.8881  -0.7445
 9KG  H22  H  HCR6  0   0.261  -1.2008   5.5989   3.5067
 9KG  H23  H  HCH2  0   0.284  -1.4463   1.1586  -2.5914
 9KG  H24  H  HCH2  0   0.284  -3.1419   0.9484  -2.9934

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
 9KG  O3   C9   double    1.214  0.020  1.214
 9KG  C8   C7   single    1.513  0.020  1.513
 9KG  C8   N1   single    1.462  0.020  1.462
 9KG  C9   N1   single    1.380  0.020  1.380
 9KG  C9   N2   single    1.369  0.020  1.369
 9KG  C7   O2   single    1.412  0.020  1.412
 9KG  N1   C12  single    1.362  0.020  1.362
 9KG  N2   C10  single    1.386  0.020  1.386
 9KG  C12  C11  double    1.344  0.020  1.344
 9KG  O2   C2   single    1.345  0.020  1.345
 9KG  C10  C11  single    1.441  0.020  1.441
 9KG  C10  O4   double    1.217  0.020  1.217
 9KG  C1   C2   aromatic  1.390  0.020  1.390
 9KG  C1   C6   aromatic  1.391  0.020  1.391
 9KG  C2   C3   aromatic  1.403  0.020  1.403
 9KG  C6   C5   aromatic  1.384  0.020  1.384
 9KG  C3   O1   single    1.368  0.020  1.368
 9KG  C3   C4   aromatic  1.382  0.020  1.382
 9KG  O1   C13  single    1.359  0.020  1.359
 9KG  C5   C4   aromatic  1.390  0.020  1.390
 9KG  C13  C18  aromatic  1.407  0.020  1.407
 9KG  C13  C14  aromatic  1.375  0.020  1.375
 9KG  C27  N3   single    1.457  0.020  1.457
 9KG  C18  C17  aromatic  1.363  0.020  1.363
 9KG  C24  C14  single    1.501  0.020  1.501
 9KG  C14  C15  aromatic  1.424  0.020  1.424
 9KG  C17  N3   single    1.420  0.020  1.420
 9KG  C17  C16  aromatic  1.415  0.020  1.415
 9KG  N3   C25  single    1.360  0.020  1.360
 9KG  O5   C25  double    1.222  0.020  1.222
 9KG  C15  C16  aromatic  1.422  0.020  1.422
 9KG  C15  C19  aromatic  1.412  0.020  1.412
 9KG  C25  C26  single    1.486  0.020  1.486
 9KG  C16  C22  aromatic  1.413  0.020  1.413
 9KG  C19  C20  aromatic  1.374  0.020  1.374
 9KG  C26  C28  double    1.329  0.020  1.329
 9KG  C22  C21  aromatic  1.364  0.020  1.364
 9KG  C20  C21  aromatic  1.414  0.020  1.414
 9KG  C20  C23  single    1.427  0.020  1.427
 9KG  C23  N4   triple    1.152  0.020  1.152
 9KG  N2   H1   single    0.860  0.020  1.020
 9KG  C4   H2   single    0.930  0.020  1.080
 9KG  C6   H3   single    0.930  0.020  1.080
 9KG  C7   H4   single    0.970  0.020  1.090
 9KG  C7   H5   single    0.970  0.020  1.090
 9KG  C1   H6   single    0.930  0.020  1.080
 9KG  C11  H7   single    0.930  0.020  1.080
 9KG  C12  H8   single    0.930  0.020  1.080
 9KG  C18  H9   single    0.930  0.020  1.080
 9KG  C19  H10  single    0.930  0.020  1.080
 9KG  C21  H11  single    0.930  0.020  1.080
 9KG  C22  H12  single    0.930  0.020  1.080
 9KG  C24  H13  single    0.970  0.020  1.090
 9KG  C24  H14  single    0.970  0.020  1.090
 9KG  C24  H15  single    0.970  0.020  1.090
 9KG  C26  H16  single    0.930  0.020  1.080
 9KG  C27  H17  single    0.970  0.020  1.090
 9KG  C27  H18  single    0.970  0.020  1.090
 9KG  C27  H19  single    0.970  0.020  1.090
 9KG  C28  H20  single    0.930  0.020  1.080
 9KG  C28  H21  single    0.930  0.020  1.080
 9KG  C5   H22  single    0.930  0.020  1.080
 9KG  C8   H23  single    0.970  0.020  1.090
 9KG  C8   H24  single    0.970  0.020  1.090

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
 9KG  C8   N1   C12  121.38  3.000
 9KG  C12  N1   C9   120.61  3.000
 9KG  C8   N1   C9   117.92  3.000
 9KG  O2   C2   C3   115.87  3.000
 9KG  C3   C2   C1   118.70  3.000
 9KG  O2   C2   C1   125.43  3.000
 9KG  H1   N2   C10  116.83  3.000
 9KG  H1   N2   C9   114.97  3.000
 9KG  C10  N2   C9   128.20  3.000
 9KG  C27  N3   C25  125.31  3.000
 9KG  C25  N3   C17  117.32  3.000
 9KG  C27  N3   C17  117.14  3.000
 9KG  H2   C4   C5   120.82  3.000
 9KG  H2   C4   C3   118.95  3.000
 9KG  C5   C4   C3   120.22  3.000
 9KG  H3   C6   C5   120.33  3.000
 9KG  H3   C6   C1   118.99  3.000
 9KG  C5   C6   C1   120.68  3.000
 9KG  H5   C7   H4   107.23  3.000
 9KG  H5   C7   O2   110.27  3.000
 9KG  H4   C7   O2   112.31  3.000
 9KG  H5   C7   C8   113.03  3.000
 9KG  H4   C7   C8   105.85  3.000
 9KG  O2   C7   C8   108.13  3.000
 9KG  O3   C9   N2   121.90  3.000
 9KG  N2   C9   N1   114.86  3.000
 9KG  O3   C9   N1   123.24  3.000
 9KG  H6   C1   C6   118.76  3.000
 9KG  H6   C1   C2   120.96  3.000
 9KG  C6   C1   C2   120.27  3.000
 9KG  O4   C10  C11  126.38  3.000
 9KG  O4   C10  N2   120.48  3.000
 9KG  C11  C10  N2   113.15  3.000
 9KG  H7   C11  C12  120.51  3.000
 9KG  H7   C11  C10  119.95  3.000
 9KG  C12  C11  C10  119.54  3.000
 9KG  H8   C12  C11  120.33  3.000
 9KG  H8   C12  N1   116.08  3.000
 9KG  C11  C12  N1   123.59  3.000
 9KG  O1   C13  C18  121.04  3.000
 9KG  C18  C13  C14  122.02  3.000
 9KG  O1   C13  C14  116.85  3.000
 9KG  C24  C14  C15  121.84  3.000
 9KG  C15  C14  C13  117.58  3.000
 9KG  C24  C14  C13  120.57  3.000
 9KG  C19  C15  C16  117.85  3.000
 9KG  C19  C15  C14  121.20  3.000
 9KG  C16  C15  C14  120.94  3.000
 9KG  C22  C16  C17  121.66  3.000
 9KG  C22  C16  C15  119.88  3.000
 9KG  C17  C16  C15  118.46  3.000
 9KG  C18  C17  C16  120.32  3.000
 9KG  C16  C17  N3   120.26  3.000
 9KG  C18  C17  N3   119.40  3.000
 9KG  H9   C18  C17  119.28  3.000
 9KG  H9   C18  C13  120.24  3.000
 9KG  C17  C18  C13  120.47  3.000
 9KG  H10  C19  C20  118.80  3.000
 9KG  H10  C19  C15  120.36  3.000
 9KG  C20  C19  C15  120.83  3.000
 9KG  C23  C20  C21  119.62  3.000
 9KG  C23  C20  C19  119.19  3.000
 9KG  C21  C20  C19  121.18  3.000
 9KG  H11  C21  C22  120.93  3.000
 9KG  H11  C21  C20  120.08  3.000
 9KG  C22  C21  C20  118.99  3.000
 9KG  H12  C22  C21  119.30  3.000
 9KG  H12  C22  C16  119.44  3.000
 9KG  C21  C22  C16  121.25  3.000
 9KG  C20  C23  N4   180.00  3.000
 9KG  H15  C24  H14  106.86  3.000
 9KG  H15  C24  H13  107.31  3.000
 9KG  H14  C24  H13  107.51  3.000
 9KG  H15  C24  C14  111.80  3.000
 9KG  H14  C24  C14  111.90  3.000
 9KG  H13  C24  C14  111.20  3.000
 9KG  O5   C25  C26  121.78  3.000
 9KG  C26  C25  N3   117.17  3.000
 9KG  O5   C25  N3   121.06  3.000
 9KG  H16  C26  C28  119.40  3.000
 9KG  H16  C26  C25  119.91  3.000
 9KG  C28  C26  C25  120.69  3.000
 9KG  H19  C27  H18  108.43  3.000
 9KG  H19  C27  H17  109.14  3.000
 9KG  H18  C27  H17  106.97  3.000
 9KG  H19  C27  N3   112.23  3.000
 9KG  H18  C27  N3   108.44  3.000
 9KG  H17  C27  N3   111.45  3.000
 9KG  H21  C28  H20  117.01  3.000
 9KG  H21  C28  C26  122.06  3.000
 9KG  H20  C28  C26  120.93  3.000
 9KG  O1   C3   C4   118.25  3.000
 9KG  C4   C3   C2   120.69  3.000
 9KG  O1   C3   C2   120.84  3.000
 9KG  H22  C5   C6   120.65  3.000
 9KG  H22  C5   C4   119.94  3.000
 9KG  C6   C5   C4   119.41  3.000
 9KG  H24  C8   H23  107.43  3.000
 9KG  H24  C8   C7   108.46  3.000
 9KG  H23  C8   C7   108.95  3.000
 9KG  H24  C8   N1   110.13  3.000
 9KG  H23  C8   N1   107.31  3.000
 9KG  C7   C8   N1   114.34  3.000
 9KG  C3   O1   C13  121.99  3.000
 9KG  C7   O2   C2   119.96  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
 9KG  CONST_01  C5   C6   C1   C2      0.00   0.0  0
 9KG  CONST_02  C5   C4   C3   C2      0.00   0.0  0
 9KG  CONST_03  C1   C2   C3   C4      0.00   0.0  0
 9KG  CONST_04  C1   C6   C5   C4      0.00   0.0  0
 9KG  CONST_05  C3   C2   C1   C6      0.00   0.0  0
 9KG  CONST_06  C3   C4   C5   C6      0.00   0.0  0
 9KG  CONST_07  C16  C17  C18  C13     0.00   0.0  0
 9KG  CONST_08  C16  C15  C14  C13     0.00   0.0  0
 9KG  CONST_09  C19  C15  C14  C13   180.00   0.0  0
 9KG  CONST_10  C17  C18  C13  C14     0.00   0.0  0
 9KG  CONST_11  C17  C16  C15  C14     0.00   0.0  0
 9KG  CONST_12  C22  C16  C15  C14   180.00   0.0  0
 9KG  CONST_13  C20  C19  C15  C14   180.00   0.0  0
 9KG  CONST_14  C18  C13  C14  C15     0.00   0.0  0
 9KG  CONST_15  C18  C17  C16  C15     0.00   0.0  0
 9KG  CONST_16  C21  C22  C16  C15     0.00   0.0  0
 9KG  CONST_17  C21  C20  C19  C15     0.00   0.0  0
 9KG  CONST_18  C20  C19  C15  C16     0.00   0.0  0
 9KG  CONST_19  C20  C21  C22  C16     0.00   0.0  0
 9KG  CONST_20  C19  C15  C16  C17   180.00   0.0  0
 9KG  CONST_21  C21  C22  C16  C17   180.00   0.0  0
 9KG  CONST_22  C22  C16  C17  C18   180.00   0.0  0
 9KG  CONST_23  C22  C16  C15  C19     0.00   0.0  0
 9KG  CONST_24  C22  C21  C20  C19     0.00   0.0  0
 9KG  CONST_25  C10  N2   C9   N1      0.00   0.0  0
 9KG  CONST_26  C12  N1   C9   N2      0.00   0.0  0
 9KG  CONST_27  C11  C10  N2   C9      0.00   0.0  0
 9KG  CONST_28  C13  C18  C17  N3    180.00   0.0  0
 9KG  CONST_29  C15  C16  C17  N3    180.00   0.0  0
 9KG  CONST_30  C22  C16  C17  N3      0.00   0.0  0
 9KG  CONST_31  O2   C2   C3   C4    180.00   0.0  0
 9KG  CONST_32  O2   C2   C1   C6    180.00   0.0  0
 9KG  CONST_33  O1   C3   C2   C1    180.00   0.0  0
 9KG  CONST_34  O1   C13  C14  C15   180.00   0.0  0
 9KG  CONST_35  C23  C20  C19  C15   180.00   0.0  0
 9KG  CONST_36  C24  C14  C15  C16   180.00   0.0  0
 9KG  CONST_37  O1   C13  C18  C17   180.00   0.0  0
 9KG  CONST_38  C24  C14  C13  C18   180.00   0.0  0
 9KG  CONST_39  C24  C14  C15  C19     0.00   0.0  0
 9KG  CONST_40  C23  C20  C21  C22   180.00   0.0  0
 9KG  CONST_41  O1   C3   C4   C5    180.00   0.0  0
 9KG  CONST_42  C8   N1   C9   N2    180.00   0.0  0
 9KG  CONST_43  O4   C10  N2   C9    180.00   0.0  0
 9KG  CONST_44  O3   C9   N2   C10   180.00   0.0  0
 9KG  CONST_45  O3   C9   N1   C12   180.00   0.0  0
 9KG  CONST_46  H3   C6   C1   C2    180.00   0.0  0
 9KG  CONST_47  H2   C4   C3   C2    180.00   0.0  0
 9KG  CONST_48  H22  C5   C6   C1    180.00   0.0  0
 9KG  CONST_49  H9   C18  C13  C14   180.00   0.0  0
 9KG  CONST_50  H10  C19  C15  C14     0.00   0.0  0
 9KG  CONST_51  H12  C22  C16  C15   180.00   0.0  0
 9KG  CONST_52  H11  C21  C22  C16   180.00   0.0  0
 9KG  CONST_53  H6   C1   C2   C3    180.00   0.0  0
 9KG  CONST_54  H1   N2   C9   N1    180.00   0.0  0
 9KG  CONST_59  O3   C9   N1   C8      0.00   0.0  0
 9KG  CONST_60  O5   C25  N3   C17     0.00   0.0  0
 9KG  CONST_61  C26  C25  N3   C17   180.00   0.0  0
 9KG  CONST_62  C27  N3   C25  C26     0.00   0.0  0
 9KG  CONST_63  O5   C25  N3   C27   180.00   0.0  0
 9KG  CONST_64  H20  C28  C26  C25   180.00   0.0  0
 9KG  CONST_65  H21  C28  C26  C25     0.00   0.0  0
 9KG  Var_01    C9   N1   C8   C7   -143.22  30.0  3
 9KG  Var_02    C1   C2   O2   C7     -7.68  30.0  2
 9KG  Var_03    H13  C24  C14  C13    90.89  30.0  2
 9KG  Var_04    O2   C7   C8   N1     48.99  30.0  3
 9KG  Var_05    C8   C7   O2   C2    162.18  30.0  2
 9KG  Var_06    H17  C27  N3   C17  -143.67  30.0  3
 9KG  Var_07    C28  C26  C25  N3   -171.48  30.0  2

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
 9KG  plan-1  N1   0.020
 9KG  plan-1  N2   0.020
 9KG  plan-1  C9   0.020
 9KG  plan-1  C10  0.020
 9KG  plan-1  C11  0.020
 9KG  plan-1  C12  0.020
 9KG  plan-1  C8   0.020
 9KG  plan-1  O3   0.020
 9KG  plan-1  O4   0.020
 9KG  plan-1  H1   0.020
 9KG  plan-1  H7   0.020
 9KG  plan-1  H8   0.020
 9KG  plan-2  C25  0.020
 9KG  plan-2  C26  0.020
 9KG  plan-2  C28  0.020
 9KG  plan-2  H16  0.020
 9KG  plan-2  H20  0.020
 9KG  plan-2  H21  0.020
 9KG  plan-3  C2   0.020
 9KG  plan-3  C4   0.020
 9KG  plan-3  C6   0.020
 9KG  plan-3  C1   0.020
 9KG  plan-3  C3   0.020
 9KG  plan-3  C5   0.020
 9KG  plan-3  O1   0.020
 9KG  plan-3  O2   0.020
 9KG  plan-3  H2   0.020
 9KG  plan-3  H3   0.020
 9KG  plan-3  H6   0.020
 9KG  plan-3  H22  0.020
 9KG  plan-4  N3   0.020
 9KG  plan-4  N4   0.020
 9KG  plan-4  C13  0.020
 9KG  plan-4  C14  0.020
 9KG  plan-4  C15  0.020
 9KG  plan-4  C16  0.020
 9KG  plan-4  C17  0.020
 9KG  plan-4  C18  0.020
 9KG  plan-4  C19  0.020
 9KG  plan-4  C20  0.020
 9KG  plan-4  C21  0.020
 9KG  plan-4  C22  0.020
 9KG  plan-4  C23  0.020
 9KG  plan-4  C24  0.020
 9KG  plan-4  O1   0.020
 9KG  plan-4  H9   0.020
 9KG  plan-4  H10  0.020
 9KG  plan-4  H11  0.020
 9KG  plan-4  H12  0.020
 9KG  plan-5  N3   0.020
 9KG  plan-5  C17  0.020
 9KG  plan-5  C25  0.020
 9KG  plan-5  C26  0.020
 9KG  plan-5  C27  0.020
 9KG  plan-5  O5   0.020

