# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Jul 30 15:29:58 2021
#   Inital geometry file: a 161 line input string
#   Ligand name: (2~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]amino]-2-azanyl-butanoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COCN1C=C(CN(CC[C@@H](N)C(O)=O)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34)C(=NC1=O)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
 78K  78K  '(2~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]amino]-2-azanyl-butanoic acid'  ligand  68  38  .  2022-11-17  2022-11-17
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_78K
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
 78K  C11  C  CH2   0  -0.368  23.4183   -8.5382   4.1141
 78K  C21  C  C     0   0.570  21.8061  -13.4093   5.8189
 78K  C12  C  CR6   0  -0.121  23.8987   -7.5356   3.1075
 78K  C13  C  CR6   0   0.473  25.1102   -7.7083   2.3503
 78K  C14  C  CR6   0   0.595  24.9629   -5.5898   1.4058
 78K  C15  C  CR16  0   0.043  23.2561   -6.3676   2.8965
 78K  C17  C  CH3   0  -0.409  21.4206   -5.0783   0.3428
 78K  C1   C  CR6   0   0.461  19.1015   -8.3052  -3.8230
 78K  C2   C  CR56  0  -0.012  19.6971   -8.5549  -2.5728
 78K  C3   C  CR56  0   0.492  20.1982   -9.8325  -2.3745
 78K  N1   N  N     0  -0.455  20.1649  -10.8386  -3.2447
 78K  C4   C  CR16  0   0.045  19.5779  -10.4872  -4.3755
 78K  N2   N  N     0  -0.474  19.0594   -9.3077  -4.7078
 78K  N3   N  NR5   0  -0.537  20.7105   -9.8214  -1.1093
 78K  C5   C  CR15  0   0.112  20.4911   -8.5624  -0.6198
 78K  N4   N  N     0  -0.440  19.8879   -7.7768  -1.4601
 78K  C6   C  CH1   0   0.201  21.3910  -10.9073  -0.4433
 78K  O1   O  O2    0  -0.494  20.9111  -11.0189   0.8659
 78K  C7   C  CH1   0  -0.045  21.9944  -11.1582   1.7938
 78K  C8   C  CH1   0  -0.030  23.2205  -11.4878   0.9407
 78K  C9   C  CH1   0  -0.007  22.9025  -10.6948  -0.3253
 78K  O2   O  OH1   0  -0.650  23.5223  -11.1044  -1.4997
 78K  O3   O  OH1   0  -0.666  23.2763  -12.8461   0.5921
 78K  N5   N  NT    0  -0.443  23.2167   -9.8607   3.5360
 78K  N7   N  N     0  -0.533  25.5966   -6.7698   1.5643
 78K  N8   N  NR6   0  -0.536  23.7386   -5.4102   2.0687
 78K  N9   N  NH2   0  -0.813  25.7835   -8.8548   2.4628
 78K  O4   O  O2    0  -0.463  22.4156   -4.1096   0.5886
 78K  O5   O  O     0  -0.515  25.4007   -4.6863   0.7083
 78K  C18  C  CH2   0  -0.324  23.1697  -10.9180   4.5357
 78K  C19  C  CH2   0  -0.471  21.9467  -10.9215   5.4539
 78K  C20  C  CH1   0  -0.192  21.9960  -12.0487   6.4722
 78K  N10  N  NH2   0  -0.802  20.9047  -11.9089   7.4350
 78K  O7   O  O     0  -0.434  21.3878  -13.6027   4.7053
 78K  H12  H  HCH2  0   0.245  22.5125   -8.1418   4.5954
 78K  H11  H  HCH2  0   0.269  24.1681   -8.6390   4.9050
 78K  H15  H  HCR6  0   0.315  22.3225   -6.1395   3.3960
 78K  H21  H  HCH3  0   0.250  20.9344   -4.8220  -0.5961
 78K  H22  H  HCH3  0   0.203  21.8424   -6.0824   0.2373
 78K  H20  H  HCH3  0   0.215  20.6639   -5.1029   1.1352
 78K  H1   H  HCR6  0   0.252  19.5075  -11.2574  -5.1358
 78K  H2   H  HCR5  0   0.282  20.7849   -8.2863   0.3814
 78K  H3   H  HCH1  0   0.267  21.1784  -11.8083  -1.0287
 78K  H4   H  HCH1  0   0.261  21.7466  -11.9913   2.4592
 78K  H5   H  HCH1  0   0.252  24.1469  -11.1510   1.4195
 78K  H6   H  HCH1  0   0.232  23.0983   -9.6326  -0.1205
 78K  H7   H  HOH1  0   0.464  24.4480  -10.8433  -1.4718
 78K  H8   H  HOH1  0   0.455  23.4911  -13.3558   1.3793
 78K  H14  H  HNH2  0   0.404  18.1328   -6.9922  -5.0395
 78K  H13  H  HNH2  0   0.411  18.5799   -6.3575  -3.4977
 78K  H16  H  HNH2  0   0.399  26.5916   -9.0081   1.8828
 78K  H17  H  HNH2  0   0.422  25.3203   -9.6564   2.8647
 78K  H24  H  HCH2  0   0.248  23.2564  -11.8779   4.0230
 78K  H23  H  HCH2  0   0.251  24.0721  -10.8305   5.1470
 78K  H25  H  HCH2  0   0.252  21.9097   -9.9775   6.0063
 78K  H26  H  HCH2  0   0.241  21.0186  -10.9852   4.8814
 78K  H27  H  HCH1  0   0.245  22.9877  -12.0419   6.9499
 78K  H28  H  HNH2  0   0.357  21.0680  -12.5129   8.2310
 78K  H29  H  HNH2  0   0.358  20.9192  -10.9656   7.8034
 78K  C16  C  CH2   0  -0.048  22.9879   -4.1822   1.8485
 78K  O6   O  OH1   0  -0.593  22.1246  -14.3898   6.6547
 78K  C10  C  CH2   0  -0.293  22.1128   -9.8652   2.5960
 78K  N6   N  NH2   0  -0.816  18.5904   -7.1189  -4.1532
 78K  H19  H  HCH2  0   0.263  23.6587   -3.3320   1.9466
 78K  H18  H  HCH2  0   0.239  22.2335   -4.1290   2.6417
 78K  H10  H  HCH2  0   0.224  22.2677   -9.0282   1.9090
 78K  H9   H  HCH2  0   0.239  21.1440   -9.6721   3.0810
 78K  H30  H  HOH1  0   0.481  21.9516  -15.2505   6.2440

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
 78K  N6   C1   single    1.333  0.020  1.333
 78K  N2   C1   aromatic  1.338  0.020  1.338
 78K  N2   C4   aromatic  1.331  0.020  1.331
 78K  C1   C2   aromatic  1.407  0.020  1.407
 78K  C4   N1   aromatic  1.322  0.020  1.322
 78K  C2   N4   aromatic  1.371  0.020  1.371
 78K  C2   C3   aromatic  1.387  0.020  1.387
 78K  N4   C5   aromatic  1.299  0.020  1.299
 78K  N1   C3   aromatic  1.331  0.020  1.331
 78K  C3   N3   aromatic  1.365  0.020  1.365
 78K  C5   N3   aromatic  1.368  0.020  1.368
 78K  O2   C9   single    1.390  0.020  1.390
 78K  N3   C6   single    1.444  0.020  1.444
 78K  C9   C6   single    1.531  0.020  1.531
 78K  C9   C8   single    1.527  0.020  1.527
 78K  C6   O1   single    1.399  0.020  1.399
 78K  O1   C7   single    1.433  0.020  1.433
 78K  C8   O3   single    1.403  0.020  1.403
 78K  C8   C7   single    1.530  0.020  1.530
 78K  C7   C10  single    1.526  0.020  1.526
 78K  O5   C14  double    1.222  0.020  1.222
 78K  C17  O4   single    1.410  0.020  1.410
 78K  C10  N5   single    1.450  0.020  1.450
 78K  N7   C14  single    1.349  0.020  1.349
 78K  N7   C13  double    1.317  0.020  1.317
 78K  C14  N8   single    1.404  0.020  1.404
 78K  O4   C16  single    1.386  0.020  1.386
 78K  N9   C13  single    1.334  0.020  1.334
 78K  C13  C12  single    1.439  0.020  1.439
 78K  N8   C16  single    1.456  0.020  1.456
 78K  N8   C15  single    1.354  0.020  1.354
 78K  N5   C18  single    1.456  0.020  1.456
 78K  N5   C11  single    1.457  0.020  1.457
 78K  C12  C15  double    1.350  0.020  1.350
 78K  C12  C11  single    1.500  0.020  1.500
 78K  C18  C19  single    1.529  0.020  1.529
 78K  C19  C20  single    1.520  0.020  1.520
 78K  O7   C21  double    1.205  0.020  1.205
 78K  C20  N10  single    1.462  0.020  1.462
 78K  C20  C21  single    1.521  0.020  1.521
 78K  C21  O6   single    1.327  0.020  1.327
 78K  C11  H12  single    0.970  0.020  1.090
 78K  C11  H11  single    0.970  0.020  1.090
 78K  C15  H15  single    0.930  0.020  1.080
 78K  C16  H19  single    0.970  0.020  1.090
 78K  C16  H18  single    0.970  0.020  1.090
 78K  C17  H21  single    0.970  0.020  1.090
 78K  C17  H22  single    0.970  0.020  1.090
 78K  C17  H20  single    0.970  0.020  1.090
 78K  C4   H1   single    0.930  0.020  1.080
 78K  C5   H2   single    0.930  0.020  1.080
 78K  C6   H3   single    0.970  0.020  1.090
 78K  C7   H4   single    0.970  0.020  1.090
 78K  C8   H5   single    0.970  0.020  1.090
 78K  C9   H6   single    0.970  0.020  1.090
 78K  O2   H7   single    0.850  0.020  0.980
 78K  O3   H8   single    0.850  0.020  0.980
 78K  C10  H10  single    0.970  0.020  1.090
 78K  C10  H9   single    0.970  0.020  1.090
 78K  N6   H14  single    0.860  0.020  1.020
 78K  N6   H13  single    0.860  0.020  1.020
 78K  N9   H16  single    0.890  0.020  1.040
 78K  N9   H17  single    0.890  0.020  1.040
 78K  C18  H24  single    0.970  0.020  1.090
 78K  C18  H23  single    0.970  0.020  1.090
 78K  C19  H25  single    0.970  0.020  1.090
 78K  C19  H26  single    0.970  0.020  1.090
 78K  C20  H27  single    0.970  0.020  1.090
 78K  N10  H28  single    0.890  0.020  1.040
 78K  N10  H29  single    0.890  0.020  1.040
 78K  O6   H30  single    0.850  0.020  0.980

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
 78K  H11  C11  H12  106.33  3.000
 78K  H11  C11  N5   107.33  3.000
 78K  H12  C11  N5   112.76  3.000
 78K  H11  C11  C12  109.09  3.000
 78K  H12  C11  C12  108.46  3.000
 78K  N5   C11  C12  112.62  3.000
 78K  O7   C21  O6   123.13  3.000
 78K  O6   C21  C20  111.13  3.000
 78K  O7   C21  C20  125.71  3.000
 78K  C15  C12  C13  114.99  3.000
 78K  C15  C12  C11  122.07  3.000
 78K  C13  C12  C11  122.86  3.000
 78K  N9   C13  N7   118.44  3.000
 78K  N9   C13  C12  118.92  3.000
 78K  N7   C13  C12  122.63  3.000
 78K  O5   C14  N8   119.16  3.000
 78K  N8   C14  N7   117.79  3.000
 78K  O5   C14  N7   123.05  3.000
 78K  H15  C15  N8   116.11  3.000
 78K  H15  C15  C12  121.37  3.000
 78K  N8   C15  C12  122.52  3.000
 78K  H20  C17  H22  108.38  3.000
 78K  H20  C17  H21  108.71  3.000
 78K  H22  C17  H21  107.77  3.000
 78K  H20  C17  O4   112.12  3.000
 78K  H22  C17  O4   112.03  3.000
 78K  H21  C17  O4   107.69  3.000
 78K  N6   C1   N2   119.40  3.000
 78K  N2   C1   C2   117.90  3.000
 78K  N6   C1   C2   122.70  3.000
 78K  N4   C2   C3   110.88  3.000
 78K  C3   C2   C1   116.33  3.000
 78K  N4   C2   C1   132.78  3.000
 78K  N3   C3   N1   128.44  3.000
 78K  N3   C3   C2   105.11  3.000
 78K  N1   C3   C2   126.45  3.000
 78K  C4   N1   C3   111.69  3.000
 78K  H1   C4   N2   115.41  3.000
 78K  H1   C4   N1   116.09  3.000
 78K  N2   C4   N1   128.50  3.000
 78K  C4   N2   C1   119.13  3.000
 78K  C6   N3   C5   127.04  3.000
 78K  C6   N3   C3   126.74  3.000
 78K  C5   N3   C3   106.19  3.000
 78K  H2   C5   N4   124.88  3.000
 78K  H2   C5   N3   121.56  3.000
 78K  N4   C5   N3   113.55  3.000
 78K  C5   N4   C2   104.26  3.000
 78K  H3   C6   C9   110.30  3.000
 78K  H3   C6   O1   111.59  3.000
 78K  C9   C6   O1   106.12  3.000
 78K  H3   C6   N3   106.30  3.000
 78K  O1   C6   N3   109.26  3.000
 78K  C9   C6   N3   113.36  3.000
 78K  C7   O1   C6   110.76  3.000
 78K  H4   C7   C10  110.05  3.000
 78K  H4   C7   C8   110.89  3.000
 78K  C10  C7   C8   114.43  3.000
 78K  H4   C7   O1   107.24  3.000
 78K  C10  C7   O1   108.45  3.000
 78K  C8   C7   O1   105.41  3.000
 78K  H5   C8   O3   111.87  3.000
 78K  H5   C8   C9   112.24  3.000
 78K  O3   C8   C9   107.75  3.000
 78K  H5   C8   C7   111.58  3.000
 78K  O3   C8   C7   112.27  3.000
 78K  C9   C8   C7   100.57  3.000
 78K  H6   C9   O2   111.27  3.000
 78K  H6   C9   C8   108.07  3.000
 78K  O2   C9   C8   117.04  3.000
 78K  H6   C9   C6   108.92  3.000
 78K  C8   C9   C6   101.39  3.000
 78K  O2   C9   C6   109.53  3.000
 78K  H7   O2   C9   108.94  3.000
 78K  H8   O3   C8   108.57  3.000
 78K  C18  N5   C10  114.73  3.000
 78K  C18  N5   C11  113.02  3.000
 78K  C10  N5   C11  111.43  3.000
 78K  C14  N7   C13  121.33  3.000
 78K  C16  N8   C15  120.32  3.000
 78K  C15  N8   C14  120.59  3.000
 78K  C16  N8   C14  119.09  3.000
 78K  H17  N9   H16  118.49  3.000
 78K  H17  N9   C13  118.98  3.000
 78K  H16  N9   C13  119.17  3.000
 78K  C17  O4   C16  114.45  3.000
 78K  H23  C18  H24  105.51  3.000
 78K  H23  C18  C19  108.93  3.000
 78K  H24  C18  C19  110.09  3.000
 78K  H23  C18  N5   107.40  3.000
 78K  H24  C18  N5   108.27  3.000
 78K  C19  C18  N5   116.09  3.000
 78K  H26  C19  H25  106.63  3.000
 78K  H26  C19  C20  109.60  3.000
 78K  H25  C19  C20  107.61  3.000
 78K  H26  C19  C18  111.40  3.000
 78K  H25  C19  C18  109.16  3.000
 78K  C20  C19  C18  112.21  3.000
 78K  H27  C20  N10  112.71  3.000
 78K  H27  C20  C19  108.39  3.000
 78K  N10  C20  C19  110.25  3.000
 78K  H27  C20  C21  107.72  3.000
 78K  N10  C20  C21  105.97  3.000
 78K  C19  C20  C21  111.81  3.000
 78K  H29  N10  H28  105.50  3.000
 78K  H29  N10  C20  108.54  3.000
 78K  H28  N10  C20  109.90  3.000
 78K  H18  C16  H19  108.74  3.000
 78K  H18  C16  O4   111.79  3.000
 78K  H19  C16  O4   107.21  3.000
 78K  H18  C16  N8   106.64  3.000
 78K  H19  C16  N8   109.13  3.000
 78K  O4   C16  N8   113.24  3.000
 78K  H30  O6   C21  110.27  3.000
 78K  H9   C10  H10  105.50  3.000
 78K  H9   C10  N5   112.58  3.000
 78K  H10  C10  N5   107.28  3.000
 78K  H9   C10  C7   108.18  3.000
 78K  H10  C10  C7   109.22  3.000
 78K  N5   C10  C7   113.73  3.000
 78K  H13  N6   H14  118.34  3.000
 78K  H13  N6   C1   121.11  3.000
 78K  H14  N6   C1   120.33  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
 78K  CONST_01  N1   C4   N2   C1      0.00   0.0  0
 78K  CONST_02  C5   N4   C2   C1    180.00   0.0  0
 78K  CONST_03  N1   C3   C2   C1      0.00   0.0  0
 78K  CONST_04  N3   C3   C2   C1    180.00   0.0  0
 78K  CONST_05  C4   N2   C1   C2      0.00   0.0  0
 78K  CONST_06  N3   C5   N4   C2      0.00   0.0  0
 78K  CONST_07  C4   N1   C3   C2      0.00   0.0  0
 78K  CONST_08  C5   N3   C3   C2      0.00   0.0  0
 78K  CONST_09  N2   C1   C2   C3      0.00   0.0  0
 78K  CONST_10  C5   N4   C2   C3      0.00   0.0  0
 78K  CONST_11  N2   C4   N1   C3      0.00   0.0  0
 78K  CONST_12  N4   C5   N3   C3      0.00   0.0  0
 78K  CONST_13  N4   C2   C3   N1    180.00   0.0  0
 78K  CONST_14  C5   N3   C3   N1    180.00   0.0  0
 78K  CONST_15  N3   C3   N1   C4    180.00   0.0  0
 78K  CONST_16  N4   C2   C1   N2    180.00   0.0  0
 78K  CONST_17  N4   C2   C3   N3      0.00   0.0  0
 78K  CONST_18  C6   N3   C3   C2    180.00   0.0  0
 78K  CONST_19  C6   N3   C3   N1      0.00   0.0  0
 78K  CONST_20  C6   N3   C5   N4    180.00   0.0  0
 78K  CONST_21  C14  N7   C13  C12     0.00   0.0  0
 78K  CONST_22  N8   C14  N7   C13     0.00   0.0  0
 78K  CONST_23  N7   C14  N8   C15     0.00   0.0  0
 78K  CONST_24  N6   C1   C2   C3    180.00   0.0  0
 78K  CONST_25  N6   C1   N2   C4    180.00   0.0  0
 78K  CONST_26  N6   C1   C2   N4      0.00   0.0  0
 78K  CONST_27  O5   C14  N7   C13   180.00   0.0  0
 78K  CONST_28  N9   C13  N7   C14   180.00   0.0  0
 78K  CONST_29  O5   C14  N8   C15   180.00   0.0  0
 78K  CONST_30  N7   C14  N8   C16   180.00   0.0  0
 78K  CONST_31  H1   C4   N2   C1    180.00   0.0  0
 78K  CONST_32  H2   C5   N4   C2    180.00   0.0  0
 78K  CONST_33  O5   C14  N8   C16     0.00   0.0  0
 78K  CONST_34  H14  N6   C1   C2    180.00   0.0  0
 78K  CONST_35  H13  N6   C1   C2      0.00   0.0  0
 78K  CONST_36  H16  N9   C13  C12   180.00   0.0  0
 78K  CONST_38  H30  O6   C21  C20   180.00   0.0  0
 78K  Var_01    N5   C11  C12  C13   -58.08  30.0  3
 78K  Var_02    O4   C16  N8   C14    71.53  30.0  3
 78K  Var_03    C7   C10  N5   C11   170.72  30.0  3
 78K  Var_04    C10  N5   C11  C12   -67.44  30.0  3
 78K  Var_05    N8   C16  O4   C17    65.07  30.0  3
 78K  Var_06    C19  C18  N5   C11    68.90  30.0  3
 78K  Var_07    C20  C19  C18  N5   -179.29  30.0  3
 78K  Var_08    H21  C17  O4   C16   170.67  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
 78K  chir_01  C6   N3   C9   O1   negativ
 78K  chir_02  C7   O1   C8   C10  negativ
 78K  chir_03  C8   O3   C7   C9   positiv
 78K  chir_04  C9   O2   C8   C6   positiv
 78K  chir_05  C20  C19  N10  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
 78K  plan-1  C11  0.020
 78K  plan-1  C12  0.020
 78K  plan-1  C13  0.020
 78K  plan-1  C14  0.020
 78K  plan-1  C15  0.020
 78K  plan-1  N7   0.020
 78K  plan-1  N8   0.020
 78K  plan-1  N9   0.020
 78K  plan-1  O5   0.020
 78K  plan-1  H15  0.020
 78K  plan-1  H16  0.020
 78K  plan-1  H17  0.020
 78K  plan-1  C16  0.020
 78K  plan-2  C1   0.020
 78K  plan-2  C2   0.020
 78K  plan-2  C3   0.020
 78K  plan-2  N1   0.020
 78K  plan-2  C4   0.020
 78K  plan-2  N2   0.020
 78K  plan-2  N3   0.020
 78K  plan-2  C5   0.020
 78K  plan-2  N4   0.020
 78K  plan-2  C6   0.020
 78K  plan-2  H1   0.020
 78K  plan-2  H2   0.020
 78K  plan-2  N6   0.020
 78K  plan-3  C1   0.020
 78K  plan-3  H14  0.020
 78K  plan-3  H13  0.020
 78K  plan-3  N6   0.020
 78K  plan-4  C21  0.020
 78K  plan-4  C20  0.020
 78K  plan-4  O7   0.020
 78K  plan-4  O6   0.020
 78K  plan-4  H30  0.020

