# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Wed Jun 10 14:56:31 2020
#   Inital geometry file: a 169 line input string
#   Ligand name: "2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]-[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium"
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COCN1C=C(C[NH+](CC[C@H](N)C(O)=O)CC[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
 78G  78G  "2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]-[(3~{S})-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]azanium"
  ligand  71  39  .  2022-07-23  2022-07-26
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_78G
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
 78G  N4   N  N      0  -0.450   4.7248  -1.7319   1.6321
 78G  C19  C  CH1    0  -0.223  -3.8254   3.6492  -0.0325
 78G  C21  C  CH2    0  -0.515   0.4945  -0.1817  -1.0180
 78G  C22  C  CH2    0  -0.303  -0.2747   0.8856  -0.2571
 78G  C20  C  C      0   0.394  -3.8831   4.8576  -1.0060
 78G  N5   N  NT1    1  -0.537  -1.6746   0.4738   0.0715
 78G  O7   O  O      0  -0.599  -4.9384   5.0312  -1.6426
 78G  C1   C  CR6    0   0.459   7.2466  -1.4337   1.8488
 78G  C10  C  CH2    0  -0.430  -1.6943  -0.7002   1.0175
 78G  C11  C  CR6    0  -0.143  -3.0608  -1.2557   1.2353
 78G  C12  C  CR6    0   0.495  -3.9203  -0.9464   2.3494
 78G  C13  C  CR6    0   0.604  -5.6001  -2.3654   1.5818
 78G  C14  C  CR16   0   0.081  -3.5473  -2.1826   0.3727
 78G  C16  C  CH3    0  -0.415  -5.6807  -2.2058  -2.2381
 78G  C17  C  CH2    0  -0.316  -2.4895   1.6218   0.5839
 78G  C18  C  CH2    0  -0.477  -2.6614   2.7351  -0.4323
 78G  C2   C  CR56   0  -0.004   5.9542  -1.2014   1.3416
 78G  C3   C  CR56   0   0.489   5.8505  -0.2358   0.3533
 78G  C4   C  CR16   0   0.043   8.0044   0.1784   0.3900
 78G  C5   C  CR15   0   0.105   3.9053  -1.1040   0.8405
 78G  C6   C  CH1    0   0.172   3.9445   0.6903  -0.9677
 78G  C7   C  CH1    0   0.039   1.7375   0.4042  -1.6555
 78G  C8   C  CH1    0  -0.022   2.5915  -0.6059  -2.4149
 78G  C9   C  CH1    0  -0.048   3.9700   0.0636  -2.3629
 78G  N1   N  N      0  -0.459   6.8441   0.4833  -0.1650
 78G  N10  N  NH2    0  -0.778  -5.0441   2.8690   0.0864
 78G  N2   N  N      0  -0.474   8.2557  -0.7158   1.3423
 78G  N3   N  NR5    0  -0.534   4.5243  -0.1835   0.0396
 78G  N6   N  NH2    0  -0.816   7.4981  -2.3324   2.8008
 78G  N7   N  N      0  -0.528  -5.1149  -1.4847   2.4774
 78G  N8   N  NR6    0  -0.533  -4.7649  -2.7319   0.5057
 78G  N9   N  NH2    0  -0.805  -3.5297  -0.0948   3.2956
 78G  O1   O  O2     0  -0.498   2.6030   0.9240  -0.6494
 78G  O2   O  OH1    0  -0.662   4.0557   1.1060  -3.2941
 78G  O3   O  OH1    0  -0.656   2.0921  -0.7844  -3.7079
 78G  O5   O  O      0  -0.499  -6.7077  -2.8672   1.6652
 78G  H25  H  HCH1   0   0.232  -3.5966   4.0503   0.9625
 78G  H29  H  HCH2   0   0.266   0.7699  -1.0243  -0.3799
 78G  H30  H  HCH2   0   0.282  -0.1235  -0.5800  -1.8277
 78G  H32  H  HCH2   0   0.308   0.2036   1.1538   0.6844
 78G  H31  H  HCH2   0   0.311  -0.3490   1.7833  -0.8674
 78G  H10  H  HCH2   0   0.342  -1.0560  -1.4657   0.5826
 78G  H9   H  HCH2   0   0.322  -1.2068  -0.3669   1.9335
 78G  H13  H  HCR6   0   0.329  -2.9566  -2.5302  -0.4670
 78G  H20  H  HCH3   0   0.218  -4.7887  -2.5745  -2.7565
 78G  H19  H  HCH3   0   0.253  -6.4533  -2.0062  -2.9779
 78G  H18  H  HCH3   0   0.214  -5.4311  -1.2601  -1.7463
 78G  H22  H  HCH2   0   0.305  -3.4734   1.2320   0.8374
 78G  H21  H  HCH2   0   0.292  -1.9992   1.9754   1.4915
 78G  H23  H  HCH2   0   0.241  -2.8665   2.3076  -1.4214
 78G  H24  H  HCH2   0   0.262  -1.7595   3.3381  -0.5191
 78G  H1   H  HCR6   0   0.253   8.8672   0.7260   0.0258
 78G  H2   H  HCR5   0   0.293   2.8391  -1.2660   0.8118
 78G  H3   H  HCH1   0   0.284   4.5205   1.6195  -0.9443
 78G  H4   H  HCH1   0   0.256   1.4418   1.2150  -2.3340
 78G  H5   H  HCH1   0   0.244   2.6250  -1.5531  -1.8608
 78G  H6   H  HCH1   0   0.264   4.7935  -0.6531  -2.4704
 78G  H26  H  HNH2   0   0.343  -5.7650   3.4439   0.5038
 78G  H27  H  HNH2   0   0.329  -5.3865   2.6609  -0.8448
 78G  H12  H  HNH2   0   0.404   8.4281  -2.4365   3.1682
 78G  H11  H  HNH2   0   0.411   6.7582  -2.8704   3.2158
 78G  H14  H  HNH2   0   0.417  -2.6051   0.2944   3.3393
 78G  H15  H  HNH2   0   0.413  -4.1299   0.0656   4.0876
 78G  H7   H  HOH1   0   0.453   3.6390   0.8070  -4.1117
 78G  H8   H  HOH1   0   0.471   2.4377  -1.6081  -4.0671
 78G  H33  H  HNT1   0   0.448  -2.1128   0.1684  -0.8015
 78G  C15  C  CH2    0  -0.054  -5.2522  -3.6968  -0.4759
 78G  O4   O  O2     0  -0.461  -6.1944  -3.1631  -1.3358
 78G  H16  H  HCH2   0   0.244  -4.3729  -4.0683  -1.0134
 78G  H17  H  HCH2   0   0.271  -5.7181  -4.5242   0.0526
 78G  O6   O  OC    -1  -0.617  -2.8503   5.5560  -1.0650

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
 78G  N6   C1   single    1.333  0.020  1.333
 78G  C1   N2   aromatic  1.338  0.020  1.338
 78G  C1   C2   aromatic  1.408  0.020  1.408
 78G  N2   C4   aromatic  1.330  0.020  1.330
 78G  C4   N1   aromatic  1.322  0.020  1.322
 78G  C2   N4   aromatic  1.370  0.020  1.370
 78G  C2   C3   aromatic  1.386  0.020  1.386
 78G  N4   C5   aromatic  1.301  0.020  1.301
 78G  C3   N1   aromatic  1.332  0.020  1.332
 78G  C3   N3   aromatic  1.364  0.020  1.364
 78G  C5   N3   aromatic  1.368  0.020  1.368
 78G  O2   C9   single    1.400  0.020  1.400
 78G  N3   C6   single    1.454  0.020  1.454
 78G  C9   C6   single    1.530  0.020  1.530
 78G  C9   C8   single    1.533  0.020  1.533
 78G  C6   O1   single    1.398  0.020  1.398
 78G  C8   O3   single    1.398  0.020  1.398
 78G  C8   C7   single    1.525  0.020  1.525
 78G  O1   C7   single    1.425  0.020  1.425
 78G  C7   C21  single    1.515  0.020  1.515
 78G  C21  C22  single    1.520  0.020  1.520
 78G  N9   C12  single    1.332  0.020  1.332
 78G  N7   C12  double    1.316  0.020  1.316
 78G  N7   C13  single    1.347  0.020  1.347
 78G  O5   C13  double    1.219  0.020  1.219
 78G  C12  C11  single    1.441  0.020  1.441
 78G  C13  N8   single    1.411  0.020  1.411
 78G  C22  N5   single    1.496  0.020  1.496
 78G  N5   C17  single    1.498  0.020  1.498
 78G  N5   C10  single    1.508  0.020  1.508
 78G  N8   C15  single    1.460  0.020  1.460
 78G  N8   C14  single    1.342  0.020  1.342
 78G  C11  C14  double    1.356  0.020  1.356
 78G  C11  C10  single    1.491  0.020  1.491
 78G  C17  C18  single    1.517  0.020  1.517
 78G  C15  O4   single    1.383  0.020  1.383
 78G  C18  C19  single    1.533  0.020  1.533
 78G  O4   C16  single    1.412  0.020  1.412
 78G  C19  N10  single    1.452  0.020  1.452
 78G  C19  C20  single    1.553  0.020  1.553
 78G  O6   C20  deloc     1.248  0.020  1.248
 78G  C20  O7   deloc     1.245  0.020  1.245
 78G  C19  H25  single    0.970  0.020  1.090
 78G  C21  H29  single    0.970  0.020  1.090
 78G  C21  H30  single    0.970  0.020  1.090
 78G  C22  H32  single    0.970  0.020  1.090
 78G  C22  H31  single    0.970  0.020  1.090
 78G  C10  H10  single    0.970  0.020  1.090
 78G  C10  H9   single    0.970  0.020  1.090
 78G  C14  H13  single    0.930  0.020  1.080
 78G  C15  H16  single    0.970  0.020  1.090
 78G  C15  H17  single    0.970  0.020  1.090
 78G  C16  H20  single    0.970  0.020  1.090
 78G  C16  H19  single    0.970  0.020  1.090
 78G  C16  H18  single    0.970  0.020  1.090
 78G  C17  H22  single    0.970  0.020  1.090
 78G  C17  H21  single    0.970  0.020  1.090
 78G  C18  H23  single    0.970  0.020  1.090
 78G  C18  H24  single    0.970  0.020  1.090
 78G  C4   H1   single    0.930  0.020  1.080
 78G  C5   H2   single    0.930  0.020  1.080
 78G  C6   H3   single    0.970  0.020  1.090
 78G  C7   H4   single    0.970  0.020  1.090
 78G  C8   H5   single    0.970  0.020  1.090
 78G  C9   H6   single    0.970  0.020  1.090
 78G  N10  H26  single    0.890  0.020  1.040
 78G  N10  H27  single    0.890  0.020  1.040
 78G  N6   H12  single    0.860  0.020  1.020
 78G  N6   H11  single    0.860  0.020  1.020
 78G  N9   H14  single    0.860  0.020  1.020
 78G  N9   H15  single    0.860  0.020  1.020
 78G  O2   H7   single    0.850  0.020  0.980
 78G  O3   H8   single    0.850  0.020  0.980
 78G  N5   H33  single    0.890  0.020  1.040

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
 78G  C5   N4   C2   104.44  3.000
 78G  H25  C19  N10  107.30  3.000
 78G  H25  C19  C18  107.23  3.000
 78G  N10  C19  C18  109.77  3.000
 78G  H25  C19  C20  106.97  3.000
 78G  N10  C19  C20  116.00  3.000
 78G  C18  C19  C20  109.19  3.000
 78G  H30  C21  H29  107.10  3.000
 78G  H30  C21  C7   107.03  3.000
 78G  H29  C21  C7   109.72  3.000
 78G  H30  C21  C22  109.90  3.000
 78G  H29  C21  C22  112.14  3.000
 78G  C7   C21  C22  110.75  3.000
 78G  H31  C22  H32  108.15  3.000
 78G  H31  C22  N5   106.65  3.000
 78G  H32  C22  N5   106.78  3.000
 78G  H31  C22  C21  109.47  3.000
 78G  H32  C22  C21  112.54  3.000
 78G  N5   C22  C21  112.97  3.000
 78G  O7   C20  O6   126.83  3.000
 78G  O7   C20  C19  117.43  3.000
 78G  O6   C20  C19  115.74  3.000
 78G  H33  N5   C17  106.71  3.000
 78G  H33  N5   C10  107.30  3.000
 78G  C17  N5   C10  112.02  3.000
 78G  H33  N5   C22  107.18  3.000
 78G  C10  N5   C22  111.37  3.000
 78G  C17  N5   C22  111.91  3.000
 78G  N6   C1   N2   119.32  3.000
 78G  N2   C1   C2   117.87  3.000
 78G  N6   C1   C2   122.80  3.000
 78G  H9   C10  H10  106.79  3.000
 78G  H9   C10  C11  113.65  3.000
 78G  H10  C10  C11  109.52  3.000
 78G  H9   C10  N5   106.46  3.000
 78G  H10  C10  N5   106.82  3.000
 78G  C11  C10  N5   113.18  3.000
 78G  C14  C11  C12  115.12  3.000
 78G  C14  C11  C10  119.36  3.000
 78G  C12  C11  C10  125.43  3.000
 78G  N9   C12  N7   117.30  3.000
 78G  N7   C12  C11  121.92  3.000
 78G  N9   C12  C11  120.78  3.000
 78G  O5   C13  N8   118.90  3.000
 78G  N8   C13  N7   117.64  3.000
 78G  O5   C13  N7   123.45  3.000
 78G  H13  C14  N8   116.10  3.000
 78G  H13  C14  C11  121.09  3.000
 78G  N8   C14  C11  122.81  3.000
 78G  H18  C16  H19  107.98  3.000
 78G  H18  C16  H20  108.52  3.000
 78G  H19  C16  H20  108.55  3.000
 78G  H18  C16  O4   112.43  3.000
 78G  H19  C16  O4   107.48  3.000
 78G  H20  C16  O4   111.74  3.000
 78G  H21  C17  H22  109.19  3.000
 78G  H21  C17  C18  111.75  3.000
 78G  H22  C17  C18  108.44  3.000
 78G  H21  C17  N5   106.78  3.000
 78G  H22  C17  N5   107.27  3.000
 78G  C18  C17  N5   113.26  3.000
 78G  H24  C18  H23  107.40  3.000
 78G  H24  C18  C17  111.47  3.000
 78G  H23  C18  C17  109.83  3.000
 78G  H24  C18  C19  108.64  3.000
 78G  H23  C18  C19  109.00  3.000
 78G  C17  C18  C19  110.42  3.000
 78G  C3   C2   C1   116.15  3.000
 78G  C3   C2   N4   110.73  3.000
 78G  C1   C2   N4   133.12  3.000
 78G  N3   C3   N1   127.98  3.000
 78G  N3   C3   C2   105.28  3.000
 78G  N1   C3   C2   126.74  3.000
 78G  H1   C4   N2   115.42  3.000
 78G  H1   C4   N1   116.15  3.000
 78G  N2   C4   N1   128.42  3.000
 78G  H2   C5   N3   122.19  3.000
 78G  H2   C5   N4   124.48  3.000
 78G  N3   C5   N4   113.32  3.000
 78G  H3   C6   O1   111.00  3.000
 78G  H3   C6   N3   106.61  3.000
 78G  O1   C6   N3   108.98  3.000
 78G  H3   C6   C9   111.04  3.000
 78G  O1   C6   C9   106.98  3.000
 78G  N3   C6   C9   112.27  3.000
 78G  H4   C7   O1   109.29  3.000
 78G  H4   C7   C8   109.40  3.000
 78G  O1   C7   C8   104.65  3.000
 78G  H4   C7   C21  108.95  3.000
 78G  O1   C7   C21  110.01  3.000
 78G  C8   C7   C21  114.39  3.000
 78G  H5   C8   O3   111.57  3.000
 78G  H5   C8   C9   109.40  3.000
 78G  O3   C8   C9   114.11  3.000
 78G  H5   C8   C7   109.70  3.000
 78G  O3   C8   C7   110.19  3.000
 78G  C9   C8   C7   101.38  3.000
 78G  H6   C9   O2   112.04  3.000
 78G  H6   C9   C8   112.73  3.000
 78G  O2   C9   C8   110.95  3.000
 78G  H6   C9   C6   111.69  3.000
 78G  C8   C9   C6   101.24  3.000
 78G  O2   C9   C6   107.61  3.000
 78G  C4   N1   C3   111.53  3.000
 78G  H27  N10  H26  104.77  3.000
 78G  H27  N10  C19  108.58  3.000
 78G  H26  N10  C19  109.05  3.000
 78G  C4   N2   C1   119.28  3.000
 78G  C6   N3   C5   129.01  3.000
 78G  C6   N3   C3   124.76  3.000
 78G  C5   N3   C3   106.23  3.000
 78G  H11  N6   H12  118.35  3.000
 78G  H11  N6   C1   121.14  3.000
 78G  H12  N6   C1   120.35  3.000
 78G  C13  N7   C12  121.99  3.000
 78G  C15  N8   C14  120.43  3.000
 78G  C14  N8   C13  120.42  3.000
 78G  C15  N8   C13  119.14  3.000
 78G  H15  N9   H14  116.93  3.000
 78G  H15  N9   C12  119.09  3.000
 78G  H14  N9   C12  123.30  3.000
 78G  C7   O1   C6   111.15  3.000
 78G  H7   O2   C9   107.84  3.000
 78G  H8   O3   C8   109.03  3.000
 78G  H17  C15  H16  108.94  3.000
 78G  H17  C15  O4   107.71  3.000
 78G  H16  C15  O4   111.88  3.000
 78G  H17  C15  N8   108.62  3.000
 78G  H16  C15  N8   106.63  3.000
 78G  O4   C15  N8   112.98  3.000
 78G  C16  O4   C15  114.27  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
 78G  CONST_01  N2   C1   C2   N4   180.00   0.0  0
 78G  CONST_02  N1   C3   C2   N4   180.00   0.0  0
 78G  CONST_03  N3   C3   C2   N4     0.00   0.0  0
 78G  CONST_04  C3   N3   C5   N4     0.00   0.0  0
 78G  CONST_05  N1   C4   N2   C1     0.00   0.0  0
 78G  CONST_06  C5   N4   C2   C1   180.00   0.0  0
 78G  CONST_07  N1   C3   C2   C1     0.00   0.0  0
 78G  CONST_08  N3   C3   C2   C1   180.00   0.0  0
 78G  CONST_09  C4   N2   C1   C2     0.00   0.0  0
 78G  CONST_10  N3   C5   N4   C2     0.00   0.0  0
 78G  CONST_11  C4   N1   C3   C2     0.00   0.0  0
 78G  CONST_12  C5   N3   C3   C2     0.00   0.0  0
 78G  CONST_13  N2   C1   C2   C3     0.00   0.0  0
 78G  CONST_14  C5   N4   C2   C3     0.00   0.0  0
 78G  CONST_15  N2   C4   N1   C3     0.00   0.0  0
 78G  CONST_16  N3   C3   N1   C4   180.00   0.0  0
 78G  CONST_17  N1   C3   N3   C5   180.00   0.0  0
 78G  CONST_18  C6   N3   C5   N4   180.00   0.0  0
 78G  CONST_19  C6   N3   C3   C2   180.00   0.0  0
 78G  CONST_20  N1   C3   N3   C6     0.00   0.0  0
 78G  CONST_21  C13  N7   C12  C11    0.00   0.0  0
 78G  CONST_22  N8   C13  N7   C12    0.00   0.0  0
 78G  CONST_23  N7   C13  N8   C14    0.00   0.0  0
 78G  CONST_24  N6   C1   C2   N4     0.00   0.0  0
 78G  CONST_25  N6   C1   C2   C3   180.00   0.0  0
 78G  CONST_26  N6   C1   N2   C4   180.00   0.0  0
 78G  CONST_27  O5   C13  N7   C12  180.00   0.0  0
 78G  CONST_28  N9   C12  N7   C13  180.00   0.0  0
 78G  CONST_29  O5   C13  N8   C14  180.00   0.0  0
 78G  CONST_30  N7   C13  N8   C15  180.00   0.0  0
 78G  CONST_31  H1   C4   N2   C1   180.00   0.0  0
 78G  CONST_32  H2   C5   N4   C2   180.00   0.0  0
 78G  CONST_33  O5   C13  N8   C15    0.00   0.0  0
 78G  CONST_34  H12  N6   C1   C2   180.00   0.0  0
 78G  CONST_35  H11  N6   C1   C2     0.00   0.0  0
 78G  CONST_36  H14  N9   C12  C11    0.00   0.0  0
 78G  CONST_37  H15  N9   C12  C11  180.00   0.0  0
 78G  Var_01    C12  C11  C10  N5   -97.49  30.0  2
 78G  Var_02    O4   C15  N8   C13   74.16  30.0  3
 78G  Var_03    C7   C21  C22  N5   164.24  30.0  1
 78G  Var_04    N8   C15  O4   C16   69.04  30.0  1
 78G  Var_05    N5   C17  C18  C19  162.53  30.0  1
 78G  Var_06    H20  C16  O4   C15   50.14  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
 78G  chir_01  C19  C18  N10  C20  positiv
 78G  chir_02  N5   C22  C17  C10  positiv
 78G  chir_03  C6   O1   N3   C9   negativ
 78G  chir_04  C7   O1   C21  C8   positiv
 78G  chir_05  C8   O3   C7   C9   positiv
 78G  chir_06  C9   O2   C8   C6   positiv

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
 78G  plan-1  C10  0.020
 78G  plan-1  C11  0.020
 78G  plan-1  C12  0.020
 78G  plan-1  C13  0.020
 78G  plan-1  C14  0.020
 78G  plan-1  N7   0.020
 78G  plan-1  N8   0.020
 78G  plan-1  N9   0.020
 78G  plan-1  O5   0.020
 78G  plan-1  H13  0.020
 78G  plan-1  H14  0.020
 78G  plan-1  H15  0.020
 78G  plan-1  C15  0.020
 78G  plan-2  N4   0.020
 78G  plan-2  C1   0.020
 78G  plan-2  C2   0.020
 78G  plan-2  C3   0.020
 78G  plan-2  C4   0.020
 78G  plan-2  C5   0.020
 78G  plan-2  C6   0.020
 78G  plan-2  N1   0.020
 78G  plan-2  N2   0.020
 78G  plan-2  N3   0.020
 78G  plan-2  N6   0.020
 78G  plan-2  H1   0.020
 78G  plan-2  H2   0.020
 78G  plan-3  C1   0.020
 78G  plan-3  N6   0.020
 78G  plan-3  H12  0.020
 78G  plan-3  H11  0.020
 78G  plan-4  C19  0.020
 78G  plan-4  C20  0.020
 78G  plan-4  O7   0.020
 78G  plan-4  O6   0.020

