# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Wed May 20 10:58:44 2020
#   Inital geometry file: a 168 line input string
#   Ligand name: 2'-[(6R,6aR,11bR)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxybiphenyl-4-carboxylic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1cc([C@@H]2Nc3ccc(cc3[C@@H]4[C@H]2Cc5ccccc45)C(N)=N)c(cc1O)c6ccc(cc6)C(O)=O
#
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
 1GE  1GE  '2'-[(6R,6aR,11bR)-2-carbamimidoyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxybiphenyl-4-carboxylic acid'  ligand  64  38  .  2021-08-03  2021-08-03  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_1GE
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
 1GE  C1   C  C      0   0.039   4.6787   0.3740  -0.7244
 1GE  C2   C  C1     0  -0.300   4.4051  -0.1736  -1.9787
 1GE  C3   C  C1     0  -0.340   3.1053  -0.3968  -2.3813
 1GE  C4   C  C      0   0.289   2.0238  -0.0734  -1.5491
 1GE  C5   C  C      0   0.126   2.2819   0.4914  -0.2867
 1GE  C6   C  C1     0  -0.332   3.5977   0.6873   0.0960
 1GE  C10  C  C      0   0.325   6.0602   0.6141  -0.2437
 1GE  N11  N  N      0  -0.662   6.2806   0.6879   1.0151
 1GE  N12  N  NH2    0  -0.826   7.0164   0.6922  -1.2216
 1GE  N13  N  NH1    0  -0.674   0.7466  -0.2991  -1.9808
 1GE  C14  C  CH1    0  -0.206  -0.3759  -0.2944  -1.0787
 1GE  C15  C  CH1    0  -0.269  -0.2156   0.8586  -0.0928
 1GE  C16  C  CH1    0  -0.377   1.1383   0.8607   0.6414
 1GE  C17  C  CH2    0  -0.477  -0.3166   2.2593  -0.7171
 1GE  C18  C  CR6    0   0.096   0.4218   3.1041   0.2810
 1GE  C19  C  CR6    0   0.146   1.2311   2.3023   1.0845
 1GE  C24  C  CR16   0  -0.331   0.3678   4.4732   0.4844
 1GE  C25  C  CR16   0  -0.260   1.1255   5.0355   1.5084
 1GE  C26  C  CR16   0  -0.261   1.9183   4.2333   2.3208
 1GE  C27  C  CR16   0  -0.338   1.9745   2.8575   2.1131
 1GE  C32  C  CR6    0   0.138  -0.5960  -1.6118  -0.3468
 1GE  C34  C  CR6    0   0.012  -1.8582  -1.9566   0.1375
 1GE  C35  C  CR16   0  -0.374  -2.0155  -3.1308   0.8758
 1GE  C36  C  CR6    0   0.282  -0.9486  -3.9716   1.1323
 1GE  C37  C  CR6    0   0.317   0.3177  -3.6318   0.6362
 1GE  C38  C  CR16   0  -0.454   0.4770  -2.4670  -0.0939
 1GE  C41  C  C      0   0.016  -3.0568  -1.1133  -0.1038
 1GE  C42  C  C1     0  -0.280  -3.6565  -1.0649  -1.3612
 1GE  C43  C  C1     0  -0.280  -4.7850  -0.2896  -1.5787
 1GE  C44  C  C      0  -0.103  -5.3520   0.4575  -0.5491
 1GE  C45  C  C1     0  -0.281  -4.7556   0.4024   0.7072
 1GE  C46  C  C1     0  -0.270  -3.6254  -0.3716   0.9292
 1GE  C51  C  C      0   0.394  -6.5935   1.3061  -0.7914
 1GE  O52  O  OC    -1  -0.594  -7.0454   1.9277   0.1895
 1GE  O53  O  O      0  -0.594  -7.0526   1.3048  -1.9500
 1GE  O54  O  O2     0  -0.489   1.3043  -4.5070   0.9314
 1GE  C55  C  CH3    0  -0.434   2.6252  -4.1912   0.5398
 1GE  O59  O  OH1    0  -0.634  -1.1502  -5.0992   1.8452
 1GE  H1   H  H      0   0.248   5.2069  -0.4594  -2.6482
 1GE  H2   H  H      0   0.255   2.9110  -0.8399  -3.3512
 1GE  H3   H  H      0   0.238   3.8087   1.1096   1.0705
 1GE  H4   H  H      0   0.318   7.2569   0.8995   1.2032
 1GE  H5   H  HNH2   0   0.390   6.7412   1.0464  -2.1231
 1GE  H6   H  HNH2   0   0.386   7.9320   1.0038  -0.9384
 1GE  H7   H  HNH1   0   0.383   0.6474  -0.8623  -2.8101
 1GE  H8   H  HCH1   0   0.272  -1.2613  -0.0887  -1.6839
 1GE  H9   H  HCH1   0   0.281  -1.0026   0.7735   0.6601
 1GE  H10  H  HCH1   0   0.277   1.1310   0.1719   1.4920
 1GE  H11  H  HCH2   0   0.252   0.1712   2.2922  -1.6967
 1GE  H12  H  HCH2   0   0.255  -1.3522   2.5712  -0.8645
 1GE  H13  H  HCR6   0   0.246  -0.2648   5.1000  -0.1325
 1GE  H14  H  HCR6   0   0.252   1.0847   6.1030   1.6840
 1GE  H15  H  HCR6   0   0.251   2.4871   4.6796   3.1265
 1GE  H16  H  HCR6   0   0.248   2.5814   2.2357   2.7602
 1GE  H17  H  HCR6   0   0.257  -2.9962  -3.4030   1.2480
 1GE  H18  H  HCR6   0   0.280   1.4579  -2.2084  -0.4673
 1GE  H19  H  H      0   0.246  -3.2377  -1.6467  -2.1743
 1GE  H20  H  H      0   0.242  -5.2356  -0.2667  -2.5621
 1GE  H21  H  H      0   0.242  -5.1800   0.9745   1.5217
 1GE  H22  H  H      0   0.243  -3.1766  -0.3982   1.9153
 1GE  H24  H  HCH3   0   0.228   2.9640  -3.2499   0.9810
 1GE  H25  H  HCH3   0   0.265   3.2580  -4.9971   0.9024
 1GE  H26  H  HCH3   0   0.230   2.7230  -4.1292  -0.5470
 1GE  H27  H  HOH1   0   0.472  -0.3187  -5.5762   1.9529

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
 1GE  O59  C36  single    1.349  0.020  1.349
 1GE  C36  C35  aromatic  1.382  0.020  1.382
 1GE  C36  C37  aromatic  1.402  0.020  1.402
 1GE  O54  C37  single    1.351  0.020  1.351
 1GE  O54  C55  single    1.413  0.020  1.413
 1GE  C35  C34  aromatic  1.396  0.020  1.396
 1GE  C37  C38  aromatic  1.384  0.020  1.384
 1GE  O53  C51  deloc     1.246  0.020  1.246
 1GE  C46  C45  aromatic  1.388  0.020  1.388
 1GE  C46  C41  aromatic  1.393  0.020  1.393
 1GE  C45  C44  aromatic  1.392  0.020  1.392
 1GE  C34  C41  single    1.485  0.020  1.485
 1GE  C34  C32  aromatic  1.395  0.020  1.395
 1GE  C41  C42  aromatic  1.394  0.020  1.394
 1GE  C44  C51  single    1.523  0.020  1.523
 1GE  C44  C43  aromatic  1.393  0.020  1.393
 1GE  C51  O52  deloc     1.246  0.020  1.246
 1GE  C38  C32  aromatic  1.395  0.020  1.395
 1GE  C42  C43  aromatic  1.386  0.020  1.386
 1GE  C32  C14  single    1.523  0.020  1.523
 1GE  N13  C14  single    1.440  0.020  1.440
 1GE  N13  C4   single    1.367  0.020  1.367
 1GE  C14  C15  single    1.526  0.020  1.526
 1GE  C3   C4   aromatic  1.402  0.020  1.402
 1GE  C3   C2   aromatic  1.379  0.020  1.379
 1GE  C4   C5   aromatic  1.407  0.020  1.407
 1GE  C15  C17  single    1.537  0.020  1.537
 1GE  C15  C16  single    1.540  0.020  1.540
 1GE  C17  C18  single    1.502  0.020  1.502
 1GE  C2   C1   aromatic  1.396  0.020  1.396
 1GE  C5   C16  single    1.518  0.020  1.518
 1GE  C5   C6   aromatic  1.384  0.020  1.384
 1GE  C16  C19  single    1.511  0.020  1.511
 1GE  C18  C24  aromatic  1.385  0.020  1.385
 1GE  C18  C19  aromatic  1.394  0.020  1.394
 1GE  C24  C25  aromatic  1.392  0.020  1.392
 1GE  C19  C27  aromatic  1.385  0.020  1.385
 1GE  C1   C6   aromatic  1.393  0.020  1.393
 1GE  C1   C10  single    1.482  0.020  1.482
 1GE  C25  C26  aromatic  1.390  0.020  1.390
 1GE  C27  C26  aromatic  1.393  0.020  1.393
 1GE  N11  C10  double    1.280  0.020  1.280
 1GE  C10  N12  single    1.370  0.020  1.370
 1GE  C2   H1   single    0.930  0.020  1.080
 1GE  C3   H2   single    0.930  0.020  1.080
 1GE  C6   H3   single    0.930  0.020  1.080
 1GE  N11  H4   single    0.890  0.020  1.040
 1GE  N12  H5   single    0.890  0.020  1.040
 1GE  N12  H6   single    0.890  0.020  1.040
 1GE  N13  H7   single    0.890  0.020  1.040
 1GE  C14  H8   single    0.970  0.020  1.090
 1GE  C15  H9   single    0.970  0.020  1.090
 1GE  C16  H10  single    0.970  0.020  1.090
 1GE  C17  H11  single    0.970  0.020  1.090
 1GE  C17  H12  single    0.970  0.020  1.090
 1GE  C24  H13  single    0.930  0.020  1.080
 1GE  C25  H14  single    0.930  0.020  1.080
 1GE  C26  H15  single    0.930  0.020  1.080
 1GE  C27  H16  single    0.930  0.020  1.080
 1GE  C35  H17  single    0.930  0.020  1.080
 1GE  C38  H18  single    0.930  0.020  1.080
 1GE  C42  H19  single    0.930  0.020  1.080
 1GE  C43  H20  single    0.930  0.020  1.080
 1GE  C45  H21  single    0.930  0.020  1.080
 1GE  C46  H22  single    0.930  0.020  1.080
 1GE  C55  H24  single    0.970  0.020  1.090
 1GE  C55  H25  single    0.970  0.020  1.090
 1GE  C55  H26  single    0.970  0.020  1.090
 1GE  O59  H27  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
 1GE  C10  C1   C6   119.73  3.000
 1GE  C10  C1   C2   122.52  3.000
 1GE  C6   C1   C2   117.74  3.000
 1GE  H1   C2   C3   118.34  3.000
 1GE  H1   C2   C1   120.93  3.000
 1GE  C3   C2   C1   120.71  3.000
 1GE  H2   C3   C4   119.14  3.000
 1GE  H2   C3   C2   119.76  3.000
 1GE  C4   C3   C2   121.09  3.000
 1GE  N13  C4   C5   121.40  3.000
 1GE  C5   C4   C3   118.92  3.000
 1GE  N13  C4   C3   119.68  3.000
 1GE  C16  C5   C6   120.83  3.000
 1GE  C6   C5   C4   118.63  3.000
 1GE  C16  C5   C4   120.53  3.000
 1GE  H3   C6   C5   119.28  3.000
 1GE  H3   C6   C1   117.82  3.000
 1GE  C5   C6   C1   122.90  3.000
 1GE  N12  C10  N11  125.34  3.000
 1GE  N12  C10  C1   115.36  3.000
 1GE  N11  C10  C1   119.26  3.000
 1GE  H4   N11  C10  111.06  3.000
 1GE  H6   N12  H5   113.03  3.000
 1GE  H6   N12  C10  116.82  3.000
 1GE  H5   N12  C10  117.93  3.000
 1GE  H7   N13  C14  116.15  3.000
 1GE  H7   N13  C4   116.38  3.000
 1GE  C14  N13  C4   122.00  3.000
 1GE  H8   C14  C32  108.19  3.000
 1GE  H8   C14  C15  107.52  3.000
 1GE  C32  C14  C15  111.00  3.000
 1GE  H8   C14  N13  106.58  3.000
 1GE  C15  C14  N13  108.99  3.000
 1GE  C32  C14  N13  114.26  3.000
 1GE  H9   C15  C17  107.67  3.000
 1GE  H9   C15  C16  107.75  3.000
 1GE  C17  C15  C16  104.49  3.000
 1GE  H9   C15  C14  108.11  3.000
 1GE  C16  C15  C14  113.67  3.000
 1GE  C17  C15  C14  114.80  3.000
 1GE  H10  C16  C19  111.90  3.000
 1GE  H10  C16  C15  111.33  3.000
 1GE  C19  C16  C15  101.25  3.000
 1GE  H10  C16  C5   109.08  3.000
 1GE  C19  C16  C5   111.41  3.000
 1GE  C15  C16  C5   111.74  3.000
 1GE  H12  C17  H11  107.05  3.000
 1GE  H12  C17  C18  113.30  3.000
 1GE  H11  C17  C18  111.02  3.000
 1GE  H12  C17  C15  112.19  3.000
 1GE  H11  C17  C15  111.19  3.000
 1GE  C18  C17  C15  102.15  3.000
 1GE  C24  C18  C19  120.43  3.000
 1GE  C19  C18  C17  110.18  3.000
 1GE  C24  C18  C17  129.38  3.000
 1GE  C27  C19  C18  120.60  3.000
 1GE  C27  C19  C16  129.28  3.000
 1GE  C18  C19  C16  110.13  3.000
 1GE  H13  C24  C25  120.20  3.000
 1GE  H13  C24  C18  120.73  3.000
 1GE  C25  C24  C18  119.07  3.000
 1GE  H14  C25  C26  119.72  3.000
 1GE  H14  C25  C24  119.80  3.000
 1GE  C26  C25  C24  120.47  3.000
 1GE  H15  C26  C27  119.81  3.000
 1GE  H15  C26  C25  119.78  3.000
 1GE  C27  C26  C25  120.40  3.000
 1GE  H16  C27  C26  120.04  3.000
 1GE  H16  C27  C19  120.94  3.000
 1GE  C26  C27  C19  119.02  3.000
 1GE  C38  C32  C34  118.77  3.000
 1GE  C38  C32  C14  120.41  3.000
 1GE  C34  C32  C14  120.75  3.000
 1GE  C41  C34  C35  118.20  3.000
 1GE  C41  C34  C32  122.23  3.000
 1GE  C35  C34  C32  119.57  3.000
 1GE  H17  C35  C36  118.81  3.000
 1GE  H17  C35  C34  119.66  3.000
 1GE  C36  C35  C34  121.52  3.000
 1GE  O59  C36  C37  121.64  3.000
 1GE  C37  C36  C35  118.95  3.000
 1GE  O59  C36  C35  119.41  3.000
 1GE  O54  C37  C38  125.19  3.000
 1GE  C38  C37  C36  119.65  3.000
 1GE  O54  C37  C36  115.16  3.000
 1GE  H18  C38  C37  119.21  3.000
 1GE  H18  C38  C32  119.25  3.000
 1GE  C37  C38  C32  121.54  3.000
 1GE  C46  C41  C42  118.35  3.000
 1GE  C42  C41  C34  120.90  3.000
 1GE  C46  C41  C34  120.75  3.000
 1GE  H19  C42  C43  119.80  3.000
 1GE  H19  C42  C41  119.46  3.000
 1GE  C43  C42  C41  120.74  3.000
 1GE  H20  C43  C44  119.41  3.000
 1GE  H20  C43  C42  119.57  3.000
 1GE  C44  C43  C42  121.02  3.000
 1GE  C51  C44  C45  120.99  3.000
 1GE  C51  C44  C43  120.87  3.000
 1GE  C45  C44  C43  118.14  3.000
 1GE  H21  C45  C46  119.60  3.000
 1GE  H21  C45  C44  119.37  3.000
 1GE  C46  C45  C44  121.03  3.000
 1GE  H22  C46  C45  119.78  3.000
 1GE  H22  C46  C41  119.51  3.000
 1GE  C45  C46  C41  120.72  3.000
 1GE  O53  C51  O52  126.78  3.000
 1GE  O52  C51  C44  116.63  3.000
 1GE  O53  C51  C44  116.59  3.000
 1GE  C55  O54  C37  118.49  3.000
 1GE  H26  C55  H25  108.76  3.000
 1GE  H26  C55  H24  108.94  3.000
 1GE  H25  C55  H24  108.87  3.000
 1GE  H26  C55  O54  111.83  3.000
 1GE  H25  C55  O54  106.62  3.000
 1GE  H24  C55  O54  111.72  3.000
 1GE  H27  O59  C36  110.09  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
 1GE  CONST_01  C4   C3   C2   C1      0.00   0.0  0
 1GE  CONST_02  C4   C5   C6   C1      0.00   0.0  0
 1GE  CONST_03  C5   C4   C3   C2      0.00   0.0  0
 1GE  CONST_04  C5   C6   C1   C2      0.00   0.0  0
 1GE  CONST_05  C6   C5   C4   C3      0.00   0.0  0
 1GE  CONST_06  C6   C1   C2   C3      0.00   0.0  0
 1GE  CONST_07  C26  C25  C24  C18     0.00   0.0  0
 1GE  CONST_08  C26  C27  C19  C18     0.00   0.0  0
 1GE  CONST_09  C25  C24  C18  C19     0.00   0.0  0
 1GE  CONST_10  C25  C26  C27  C19     0.00   0.0  0
 1GE  CONST_11  C27  C19  C18  C24     0.00   0.0  0
 1GE  CONST_12  C27  C26  C25  C24     0.00   0.0  0
 1GE  CONST_13  C36  C35  C34  C32     0.00   0.0  0
 1GE  CONST_16  C36  C37  C38  C32     0.00   0.0  0
 1GE  CONST_17  C37  C36  C35  C34     0.00   0.0  0
 1GE  CONST_18  C45  C46  C41  C34   180.00   0.0  0
 1GE  CONST_19  C43  C42  C41  C34   180.00   0.0  0
 1GE  CONST_20  C37  C38  C32  C34     0.00   0.0  0
 1GE  CONST_21  C38  C37  C36  C35     0.00   0.0  0
 1GE  CONST_24  C38  C32  C34  C35     0.00   0.0  0
 1GE  CONST_25  C41  C34  C35  C36   180.00   0.0  0
 1GE  CONST_26  C41  C34  C32  C38   180.00   0.0  0
 1GE  CONST_27  C44  C45  C46  C41     0.00   0.0  0
 1GE  CONST_28  C44  C43  C42  C41     0.00   0.0  0
 1GE  CONST_29  C45  C46  C41  C42     0.00   0.0  0
 1GE  CONST_30  C45  C44  C43  C42     0.00   0.0  0
 1GE  CONST_31  C46  C45  C44  C43     0.00   0.0  0
 1GE  CONST_32  C46  C41  C42  C43     0.00   0.0  0
 1GE  CONST_33  C35  C34  C32  C14   180.00   0.0  0
 1GE  CONST_34  C41  C34  C32  C14     0.00   0.0  0
 1GE  CONST_35  C37  C38  C32  C14   180.00   0.0  0
 1GE  CONST_36  C10  C1   C2   C3    180.00   0.0  0
 1GE  CONST_37  C10  C1   C6   C5    180.00   0.0  0
 1GE  CONST_38  O54  C37  C38  C32   180.00   0.0  0
 1GE  CONST_39  O59  C36  C35  C34   180.00   0.0  0
 1GE  CONST_40  O54  C37  C36  C35   180.00   0.0  0
 1GE  CONST_41  O59  C36  C37  C38   180.00   0.0  0
 1GE  CONST_42  C51  C44  C43  C42   180.00   0.0  0
 1GE  CONST_43  C51  C44  C45  C46   180.00   0.0  0
 1GE  CONST_44  H2   C3   C2   C1    180.00   0.0  0
 1GE  CONST_45  H3   C6   C1   C2    180.00   0.0  0
 1GE  CONST_46  H1   C2   C3   C4    180.00   0.0  0
 1GE  CONST_47  H18  C38  C32  C14     0.00   0.0  0
 1GE  CONST_48  H16  C27  C19  C16     0.00   0.0  0
 1GE  CONST_49  H13  C24  C18  C17     0.00   0.0  0
 1GE  CONST_50  H14  C25  C24  C18   180.00   0.0  0
 1GE  CONST_51  H15  C26  C27  C19   180.00   0.0  0
 1GE  CONST_52  H17  C35  C34  C32   180.00   0.0  0
 1GE  CONST_53  H22  C46  C41  C34     0.00   0.0  0
 1GE  CONST_54  H19  C42  C41  C34     0.00   0.0  0
 1GE  CONST_55  H21  C45  C46  C41   180.00   0.0  0
 1GE  CONST_56  H20  C43  C42  C41   180.00   0.0  0
 1GE  CONST_57  H4   N11  C10  C1    180.00   0.0  0
 1GE  CONST_59  H6   N12  C10  C1    180.00   0.0  0
 1GE  Var_01    C14  N13  C4   C3    164.86  30.0  1
 1GE  Var_02    C24  C18  C17  C15  -160.04  30.0  1
 1GE  Var_03    N11  C10  C1   C2   -157.04  30.0  2
 1GE  Var_04    O53  C51  C44  C43    -0.88  30.0  2
 1GE  Var_05    H24  C55  O54  C37    59.06  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
 1GE  chir_01  C14  C32  N13  C15  positiv
 1GE  chir_02  C15  C14  C17  C16  positiv
 1GE  chir_03  C16  C15  C5   C19  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
 1GE  plan-1  C14  0.020
 1GE  plan-1  C32  0.020
 1GE  plan-1  C34  0.020
 1GE  plan-1  C35  0.020
 1GE  plan-1  C36  0.020
 1GE  plan-1  C37  0.020
 1GE  plan-1  C38  0.020
 1GE  plan-1  C41  0.020
 1GE  plan-1  O54  0.020
 1GE  plan-1  O59  0.020
 1GE  plan-1  H17  0.020
 1GE  plan-1  H18  0.020
 1GE  plan-2  C34  0.020
 1GE  plan-2  C41  0.020
 1GE  plan-2  C42  0.020
 1GE  plan-2  C43  0.020
 1GE  plan-2  C44  0.020
 1GE  plan-2  C45  0.020
 1GE  plan-2  C46  0.020
 1GE  plan-2  C51  0.020
 1GE  plan-2  H19  0.020
 1GE  plan-2  H20  0.020
 1GE  plan-2  H21  0.020
 1GE  plan-2  H22  0.020
 1GE  plan-3  C1   0.020
 1GE  plan-3  C2   0.020
 1GE  plan-3  C3   0.020
 1GE  plan-3  C4   0.020
 1GE  plan-3  C5   0.020
 1GE  plan-3  C6   0.020
 1GE  plan-3  C10  0.020
 1GE  plan-3  N13  0.020
 1GE  plan-3  C16  0.020
 1GE  plan-3  H1   0.020
 1GE  plan-3  H2   0.020
 1GE  plan-3  H3   0.020
 1GE  plan-4  C16  0.020
 1GE  plan-4  C17  0.020
 1GE  plan-4  C18  0.020
 1GE  plan-4  C19  0.020
 1GE  plan-4  C24  0.020
 1GE  plan-4  C25  0.020
 1GE  plan-4  C26  0.020
 1GE  plan-4  C27  0.020
 1GE  plan-4  H13  0.020
 1GE  plan-4  H14  0.020
 1GE  plan-4  H15  0.020
 1GE  plan-4  H16  0.020
 1GE  plan-5  C1   0.020
 1GE  plan-5  C10  0.020
 1GE  plan-5  N11  0.020
 1GE  plan-5  N12  0.020
 1GE  plan-5  H4   0.020
 1GE  plan-5  H5   0.020
 1GE  plan-5  H6   0.020
 1GE  plan-6  C44  0.020
 1GE  plan-6  C51  0.020
 1GE  plan-6  O52  0.020
 1GE  plan-6  O53  0.020

