# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon Aug  2 12:51:09 2021
#   Inital geometry file: a 171 line input string
#   Ligand name: (1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN1C=C(C=C(NC(=O)[C@@H]2C[C@@H]2F)C1=O)c3ccnc(N4N=Cc5cc(cc(F)c5C4=O)C(C)(C)C)c3CO
#
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
 V1G  V1G  (1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamide  ligand  66  39  .  2022-08-11  2022-08-11
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_V1G
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
 V1G  C4   C  CH3   0  -0.634  -40.8947  -25.0157  -3.8026
 V1G  C14  C  CR6   0   0.612  -40.9801  -28.5541  -0.6423
 V1G  C5   C  CR6   0   0.239  -41.5318  -26.6806  -2.0589
 V1G  C6   C  CR16  0  -0.409  -41.4089  -25.8523  -0.9504
 V1G  C11  C  CR6   0   0.585  -40.5139  -28.2463   1.8098
 V1G  C7   C  CR66  0   0.139  -41.0722  -26.3677   0.2966
 V1G  C8   C  CR16  0  -0.114  -40.9344  -25.5167   1.4462
 V1G  C13  C  CR66  0  -0.304  -40.8524  -27.7417   0.4807
 V1G  C3   C  CH3   0  -0.672  -41.9490  -27.1497  -4.5130
 V1G  C1   C  CH3   0  -0.631  -43.3117  -25.4662  -3.2908
 V1G  C15  C  CR16  0  -0.513  -41.3068  -28.0484  -1.8806
 V1G  C17  C  CR6   0   0.459  -40.0444  -27.6507   4.0960
 V1G  C18  C  CR6   0  -0.048  -38.7012  -27.6831   4.4628
 V1G  C19  C  CR6   0   0.177  -38.4168  -28.1234   5.7629
 V1G  C2   C  CT    0  -0.179  -41.9155  -26.0921  -3.4103
 V1G  C20  C  CR16  0  -0.382  -39.4918  -28.4204   6.6005
 V1G  C21  C  CR16  0  -0.055  -40.7826  -28.3073   6.1238
 V1G  C23  C  CR6   0  -0.089  -37.0484  -28.2841   6.2830
 V1G  C24  C  CR16  0  -0.236  -36.7186  -27.8200   7.5844
 V1G  C25  C  CR6   0   0.186  -35.4697  -28.0223   8.0877
 V1G  C26  C  CR6   0   0.526  -34.4562  -28.7119   7.3060
 V1G  C29  C  CR16  0   0.011  -36.0950  -28.9381   5.5670
 V1G  C32  C  C     0   0.597  -35.6968  -27.0914  10.3649
 V1G  C34  C  CH1   0  -0.491  -34.8486  -26.7938  11.5515
 V1G  C36  C  CH2   0  -0.521  -35.5284  -26.6325  12.8947
 V1G  C37  C  CH1   0   0.181  -34.9698  -25.4535  12.2178
 V1G  C40  C  CH2   0  -0.277  -37.6418  -27.2451   3.4918
 V1G  F16  F  F     0  -0.288  -40.7819  -29.8677  -0.5426
 V1G  F39  F  F     0  -0.338  -35.8280  -24.5368  11.6794
 V1G  N10  N  NR6   0  -0.481  -40.3909  -27.2586   2.7659
 V1G  N22  N  N     0  -0.389  -41.0599  -27.9405   4.8784
 V1G  N28  N  NR6   0  -0.505  -34.8499  -29.1411   6.0619
 V1G  N31  N  NH1   0  -0.747  -34.9958  -27.6172   9.3277
 V1G  N9   N  N     0  -0.213  -40.6105  -25.9426   2.6090
 V1G  O12  O  O     0  -0.446  -40.3547  -29.4136   2.1109
 V1G  O27  O  O     0  -0.503  -33.3144  -28.9070   7.7167
 V1G  O33  O  O     0  -0.465  -36.8955  -26.8786  10.3282
 V1G  O41  O  OH1   0  -0.651  -37.3281  -28.3282   2.6426
 V1G  H1   H  HCH3  0   0.233  -40.8530  -24.1987  -3.0812
 V1G  H2   H  HCH3  0   0.235  -39.8922  -25.4378  -3.8904
 V1G  H3   H  HCH3  0   0.235  -41.1618  -24.5850  -4.7693
 V1G  H4   H  HCR6  0   0.265  -41.5745  -24.7863  -1.0386
 V1G  H5   H  HCR6  0   0.292  -41.0999  -24.4505   1.3559
 V1G  H6   H  HCH3  0   0.236  -42.6857  -27.9299  -4.3134
 V1G  H7   H  HCH3  0   0.247  -42.2231  -26.6798  -5.4579
 V1G  H8   H  HCH3  0   0.236  -40.9762  -27.6239  -4.6561
 V1G  H9   H  HCH3  0   0.233  -43.3406  -24.6606  -2.5558
 V1G  H10  H  HCH3  0   0.235  -43.6172  -25.0466  -4.2510
 V1G  H11  H  HCH3  0   0.234  -44.0527  -26.2134  -3.0014
 V1G  H12  H  HCR6  0   0.289  -41.3840  -28.7438  -2.7046
 V1G  H13  H  HCR6  0   0.278  -39.3251  -28.7636   7.6127
 V1G  H14  H  HCR6  0   0.276  -41.6261  -28.5361   6.7637
 V1G  H15  H  HCR6  0   0.293  -37.4615  -27.2865   8.1564
 V1G  H17  H  HCR6  0   0.311  -36.2847  -29.3393   4.5820
 V1G  H18  H  HCH3  0   0.267  -33.5458  -30.7645   5.7810
 V1G  H19  H  HCH3  0   0.261  -34.3086  -30.1335   4.3163
 V1G  H20  H  HCH3  0   0.267  -32.9915  -29.2347   5.0824
 V1G  H35  H  HCH1  0   0.304  -33.8515  -27.2182  11.5452
 V1G  H21  H  HCH2  0   0.282  -36.6050  -26.7482  12.9035
 V1G  H22  H  HCH2  0   0.282  -35.0159  -27.0182  13.7654
 V1G  H38  H  HCH1  0   0.253  -34.0617  -24.9889  12.5821
 V1G  H23  H  HCH2  0   0.236  -36.7662  -26.8989   4.0504
 V1G  H24  H  HCH2  0   0.233  -38.0030  -26.3837   2.9211
 V1G  H25  H  HOH1  0   0.463  -36.6637  -28.0265   2.0144
 V1G  H16  H  HNH1  0   0.415  -34.0107  -27.7973   9.4667
 V1G  C30  C  CH3   0  -0.521  -33.8618  -29.8601   5.2665

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
 V1G  C3   C2   single    1.528  0.020  1.528
 V1G  C4   C2   single    1.534  0.020  1.534
 V1G  C2   C1   single    1.535  0.020  1.535
 V1G  C2   C5   single    1.523  0.020  1.523
 V1G  C5   C15  aromatic  1.398  0.020  1.398
 V1G  C5   C6   aromatic  1.389  0.020  1.389
 V1G  C15  C14  aromatic  1.377  0.020  1.377
 V1G  C6   C7   aromatic  1.391  0.020  1.391
 V1G  C14  F16  single    1.332  0.020  1.332
 V1G  C14  C13  aromatic  1.392  0.020  1.392
 V1G  C7   C13  aromatic  1.404  0.020  1.404
 V1G  C7   C8   single    1.437  0.020  1.437
 V1G  C13  C11  single    1.461  0.020  1.461
 V1G  C8   N9   double    1.280  0.020  1.280
 V1G  C11  O12  double    1.216  0.020  1.216
 V1G  C11  N10  single    1.380  0.020  1.380
 V1G  O41  C40  single    1.412  0.020  1.412
 V1G  N9   N10  single    1.343  0.020  1.343
 V1G  N10  C17  single    1.429  0.020  1.429
 V1G  C40  C18  single    1.502  0.020  1.502
 V1G  C17  C18  aromatic  1.393  0.020  1.393
 V1G  C17  N22  aromatic  1.314  0.020  1.314
 V1G  C18  C19  aromatic  1.402  0.020  1.402
 V1G  C30  N28  single    1.458  0.020  1.458
 V1G  N22  C21  aromatic  1.328  0.020  1.328
 V1G  C29  N28  single    1.355  0.020  1.355
 V1G  C29  C23  double    1.360  0.020  1.360
 V1G  C19  C23  single    1.473  0.020  1.473
 V1G  C19  C20  aromatic  1.395  0.020  1.395
 V1G  N28  C26  single    1.374  0.020  1.374
 V1G  C23  C24  single    1.421  0.020  1.421
 V1G  C21  C20  aromatic  1.381  0.020  1.381
 V1G  C26  O27  double    1.229  0.020  1.229
 V1G  C26  C25  single    1.454  0.020  1.454
 V1G  C24  C25  double    1.362  0.020  1.362
 V1G  C25  N31  single    1.388  0.020  1.388
 V1G  N31  C32  single    1.358  0.020  1.358
 V1G  C32  O33  double    1.218  0.020  1.218
 V1G  C32  C34  single    1.489  0.020  1.489
 V1G  C34  C37  single    1.502  0.020  1.502
 V1G  C34  C36  single    1.514  0.020  1.514
 V1G  F39  C37  single    1.366  0.020  1.366
 V1G  C37  C36  single    1.470  0.020  1.470
 V1G  C4   H1   single    0.970  0.020  1.090
 V1G  C4   H2   single    0.970  0.020  1.090
 V1G  C4   H3   single    0.970  0.020  1.090
 V1G  C6   H4   single    0.930  0.020  1.080
 V1G  C8   H5   single    0.930  0.020  1.080
 V1G  C3   H6   single    0.970  0.020  1.090
 V1G  C3   H7   single    0.970  0.020  1.090
 V1G  C3   H8   single    0.970  0.020  1.090
 V1G  C1   H9   single    0.970  0.020  1.090
 V1G  C1   H10  single    0.970  0.020  1.090
 V1G  C1   H11  single    0.970  0.020  1.090
 V1G  C15  H12  single    0.930  0.020  1.080
 V1G  C20  H13  single    0.930  0.020  1.080
 V1G  C21  H14  single    0.930  0.020  1.080
 V1G  C24  H15  single    0.930  0.020  1.080
 V1G  C29  H17  single    0.930  0.020  1.080
 V1G  C30  H18  single    0.970  0.020  1.090
 V1G  C30  H19  single    0.970  0.020  1.090
 V1G  C30  H20  single    0.970  0.020  1.090
 V1G  C34  H35  single    0.970  0.020  1.090
 V1G  C36  H21  single    0.970  0.020  1.090
 V1G  C36  H22  single    0.970  0.020  1.090
 V1G  C37  H38  single    0.970  0.020  1.090
 V1G  C40  H23  single    0.970  0.020  1.090
 V1G  C40  H24  single    0.970  0.020  1.090
 V1G  O41  H25  single    0.850  0.020  0.980
 V1G  N31  H16  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
 V1G  H3   C4   H2   107.83  3.000
 V1G  H3   C4   H1   107.43  3.000
 V1G  H2   C4   H1   107.93  3.000
 V1G  H3   C4   C2   109.90  3.000
 V1G  H2   C4   C2   111.13  3.000
 V1G  H1   C4   C2   112.45  3.000
 V1G  F16  C14  C15  117.69  3.000
 V1G  F16  C14  C13  120.10  3.000
 V1G  C15  C14  C13  122.21  3.000
 V1G  C2   C5   C15  122.13  3.000
 V1G  C15  C5   C6   117.87  3.000
 V1G  C2   C5   C6   120.00  3.000
 V1G  H4   C6   C7   118.36  3.000
 V1G  H4   C6   C5   120.58  3.000
 V1G  C7   C6   C5   121.06  3.000
 V1G  O12  C11  N10  120.25  3.000
 V1G  N10  C11  C13  113.80  3.000
 V1G  O12  C11  C13  125.95  3.000
 V1G  C13  C7   C8   117.37  3.000
 V1G  C8   C7   C6   121.41  3.000
 V1G  C13  C7   C6   121.22  3.000
 V1G  H5   C8   N9   116.24  3.000
 V1G  H5   C8   C7   120.12  3.000
 V1G  N9   C8   C7   123.64  3.000
 V1G  C7   C13  C11  119.58  3.000
 V1G  C11  C13  C14  123.60  3.000
 V1G  C7   C13  C14  116.82  3.000
 V1G  H8   C3   H7   107.31  3.000
 V1G  H8   C3   H6   108.36  3.000
 V1G  H7   C3   H6   107.26  3.000
 V1G  H8   C3   C2   112.07  3.000
 V1G  H7   C3   C2   109.43  3.000
 V1G  H6   C3   C2   112.18  3.000
 V1G  H11  C1   H10  107.84  3.000
 V1G  H11  C1   H9   108.00  3.000
 V1G  H10  C1   H9   107.55  3.000
 V1G  H11  C1   C2   111.04  3.000
 V1G  H10  C1   C2   110.05  3.000
 V1G  H9   C1   C2   112.20  3.000
 V1G  H12  C15  C5   121.39  3.000
 V1G  H12  C15  C14  117.79  3.000
 V1G  C5   C15  C14  120.82  3.000
 V1G  N22  C17  N10  115.29  3.000
 V1G  N22  C17  C18  125.68  3.000
 V1G  N10  C17  C18  119.03  3.000
 V1G  C40  C18  C19  123.23  3.000
 V1G  C19  C18  C17  116.57  3.000
 V1G  C40  C18  C17  120.21  3.000
 V1G  C23  C19  C20  118.74  3.000
 V1G  C20  C19  C18  117.87  3.000
 V1G  C23  C19  C18  123.39  3.000
 V1G  C1   C2   C3   108.57  3.000
 V1G  C1   C2   C5   108.52  3.000
 V1G  C3   C2   C5   112.23  3.000
 V1G  C5   C2   C4   109.28  3.000
 V1G  C1   C2   C4   109.81  3.000
 V1G  C3   C2   C4   108.40  3.000
 V1G  H13  C20  C21  119.55  3.000
 V1G  H13  C20  C19  120.71  3.000
 V1G  C21  C20  C19  119.72  3.000
 V1G  H14  C21  N22  116.74  3.000
 V1G  H14  C21  C20  120.45  3.000
 V1G  N22  C21  C20  122.80  3.000
 V1G  C29  C23  C24  118.47  3.000
 V1G  C24  C23  C19  120.24  3.000
 V1G  C29  C23  C19  121.19  3.000
 V1G  H15  C24  C25  120.61  3.000
 V1G  H15  C24  C23  119.17  3.000
 V1G  C25  C24  C23  120.20  3.000
 V1G  N31  C25  C26  112.38  3.000
 V1G  N31  C25  C24  126.87  3.000
 V1G  C26  C25  C24  120.74  3.000
 V1G  O27  C26  N28  121.28  3.000
 V1G  O27  C26  C25  122.91  3.000
 V1G  N28  C26  C25  115.81  3.000
 V1G  H17  C29  N28  116.01  3.000
 V1G  H17  C29  C23  122.38  3.000
 V1G  N28  C29  C23  121.60  3.000
 V1G  O33  C32  N31  123.56  3.000
 V1G  O33  C32  C34  123.36  3.000
 V1G  N31  C32  C34  113.09  3.000
 V1G  H35  C34  C37  115.24  3.000
 V1G  H35  C34  C36  117.39  3.000
 V1G  C37  C34  C36   58.33  3.000
 V1G  H35  C34  C32  116.19  3.000
 V1G  C36  C34  C32  118.20  3.000
 V1G  C37  C34  C32  119.08  3.000
 V1G  H22  C36  H21  115.24  3.000
 V1G  H22  C36  C37  118.48  3.000
 V1G  H21  C36  C37  117.86  3.000
 V1G  H22  C36  C34  117.62  3.000
 V1G  H21  C36  C34  116.25  3.000
 V1G  C37  C36  C34   60.41  3.000
 V1G  H38  C37  F39  111.79  3.000
 V1G  H38  C37  C36  120.52  3.000
 V1G  F39  C37  C36  118.75  3.000
 V1G  H38  C37  C34  117.68  3.000
 V1G  C36  C37  C34   61.25  3.000
 V1G  F39  C37  C34  118.34  3.000
 V1G  H24  C40  H23  106.33  3.000
 V1G  H24  C40  O41  111.32  3.000
 V1G  H23  C40  O41  111.83  3.000
 V1G  H24  C40  C18  109.50  3.000
 V1G  H23  C40  C18  109.05  3.000
 V1G  O41  C40  C18  108.77  3.000
 V1G  N9   N10  C17  114.65  3.000
 V1G  C17  N10  C11  118.03  3.000
 V1G  N9   N10  C11  127.26  3.000
 V1G  C21  N22  C17  117.26  3.000
 V1G  C30  N28  C29  119.83  3.000
 V1G  C29  N28  C26  123.17  3.000
 V1G  C30  N28  C26  116.99  3.000
 V1G  H16  N31  C32  117.84  3.000
 V1G  H16  N31  C25  113.80  3.000
 V1G  C32  N31  C25  128.26  3.000
 V1G  N10  N9   C8   118.26  3.000
 V1G  H25  O41  C40  107.78  3.000
 V1G  H20  C30  H19  109.04  3.000
 V1G  H20  C30  H18  109.02  3.000
 V1G  H19  C30  H18  108.93  3.000
 V1G  H20  C30  N28  110.56  3.000
 V1G  H19  C30  N28  108.84  3.000
 V1G  H18  C30  N28  110.42  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
 V1G  CONST_01  C6   C5   C15  C14     0.00   0.0  0
 V1G  CONST_02  C6   C7   C13  C14     0.00   0.0  0
 V1G  CONST_03  C13  C14  C15  C5      0.00   0.0  0
 V1G  CONST_04  C13  C7   C6   C5      0.00   0.0  0
 V1G  CONST_05  C15  C5   C6   C7      0.00   0.0  0
 V1G  CONST_06  C15  C14  C13  C7      0.00   0.0  0
 V1G  CONST_07  C20  C19  C18  C17     0.00   0.0  0
 V1G  CONST_08  C20  C21  N22  C17     0.00   0.0  0
 V1G  CONST_09  C21  N22  C17  C18     0.00   0.0  0
 V1G  CONST_10  C21  C20  C19  C18     0.00   0.0  0
 V1G  CONST_11  N22  C17  C18  C19     0.00   0.0  0
 V1G  CONST_12  N22  C21  C20  C19     0.00   0.0  0
 V1G  CONST_13  C23  C19  C18  C17   180.00   0.0  0
 V1G  CONST_14  N10  C17  C18  C19   180.00   0.0  0
 V1G  CONST_15  N10  C17  N22  C21   180.00   0.0  0
 V1G  CONST_16  C23  C19  C20  C21   180.00   0.0  0
 V1G  CONST_17  N9   N10  C11  C13     0.00   0.0  0
 V1G  CONST_18  C17  N10  C11  C13   180.00   0.0  0
 V1G  CONST_19  C29  N28  C26  C25     0.00   0.0  0
 V1G  CONST_20  C2   C5   C15  C14   180.00   0.0  0
 V1G  CONST_21  F16  C14  C15  C5    180.00   0.0  0
 V1G  CONST_22  F16  C14  C13  C11     0.00   0.0  0
 V1G  CONST_23  C2   C5   C6   C7    180.00   0.0  0
 V1G  CONST_24  F16  C14  C13  C7    180.00   0.0  0
 V1G  CONST_25  C40  C18  C19  C20   180.00   0.0  0
 V1G  CONST_26  C40  C18  C19  C23     0.00   0.0  0
 V1G  CONST_27  N10  C17  C18  C40     0.00   0.0  0
 V1G  CONST_28  N22  C17  C18  C40   180.00   0.0  0
 V1G  CONST_29  O12  C11  N10  C17     0.00   0.0  0
 V1G  CONST_30  C30  N28  C26  C25   180.00   0.0  0
 V1G  CONST_31  O27  C26  N28  C29   180.00   0.0  0
 V1G  CONST_32  O12  C11  N10  N9    180.00   0.0  0
 V1G  CONST_33  H12  C15  C5   C6    180.00   0.0  0
 V1G  CONST_34  H4   C6   C7   C8      0.00   0.0  0
 V1G  CONST_35  H14  C21  N22  C17   180.00   0.0  0
 V1G  CONST_36  H13  C20  C19  C18   180.00   0.0  0
 V1G  CONST_37  C34  C32  N31  C25   180.00   0.0  0
 V1G  CONST_38  O27  C26  N28  C30     0.00   0.0  0
 V1G  CONST_39  O33  C32  N31  C25     0.00   0.0  0
 V1G  CONST_40  H16  N31  C32  C34     0.00   0.0  0
 V1G  Var_01    C18  C17  N10  C11    91.76  30.0  2
 V1G  Var_02    C29  C23  C19  C18   -47.77  30.0  2
 V1G  Var_03    C36  C37  C34  C32   107.00  30.0  1
 V1G  Var_04    F39  C37  C36  C34   108.46  30.0  1
 V1G  Var_05    C15  C5   C2   C4   -123.09  30.0  2
 V1G  Var_06    O41  C40  C18  C17   -83.82  30.0  2
 V1G  Var_07    C32  N31  C25  C24     9.08  30.0  2
 V1G  Var_08    N31  C32  C34  C36  -160.76  30.0  1
 V1G  Var_09    H18  C30  N28  C26    60.57  30.0  3
 V1G  Var_10    H6   C3   C2   C5     61.33  30.0  3
 V1G  Var_11    H1   C4   C2   C5    -60.23  30.0  3
 V1G  Var_12    H9   C1   C2   C5     60.98  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
 V1G  chir_01  C34  C32  C37  C36  both
 V1G  chir_02  C37  F39  C34  C36  both

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
 V1G  plan-1  C17  0.020
 V1G  plan-1  C18  0.020
 V1G  plan-1  C19  0.020
 V1G  plan-1  C20  0.020
 V1G  plan-1  C21  0.020
 V1G  plan-1  C23  0.020
 V1G  plan-1  C40  0.020
 V1G  plan-1  N10  0.020
 V1G  plan-1  N22  0.020
 V1G  plan-1  H13  0.020
 V1G  plan-1  H14  0.020
 V1G  plan-2  C19  0.020
 V1G  plan-2  C23  0.020
 V1G  plan-2  C24  0.020
 V1G  plan-2  C25  0.020
 V1G  plan-2  C26  0.020
 V1G  plan-2  C29  0.020
 V1G  plan-2  N28  0.020
 V1G  plan-2  N31  0.020
 V1G  plan-2  O27  0.020
 V1G  plan-2  H15  0.020
 V1G  plan-2  H17  0.020
 V1G  plan-2  C30  0.020
 V1G  plan-3  C14  0.020
 V1G  plan-3  C5   0.020
 V1G  plan-3  C6   0.020
 V1G  plan-3  C11  0.020
 V1G  plan-3  C7   0.020
 V1G  plan-3  C8   0.020
 V1G  plan-3  C13  0.020
 V1G  plan-3  C15  0.020
 V1G  plan-3  C17  0.020
 V1G  plan-3  C2   0.020
 V1G  plan-3  F16  0.020
 V1G  plan-3  N10  0.020
 V1G  plan-3  N9   0.020
 V1G  plan-3  O12  0.020
 V1G  plan-3  H4   0.020
 V1G  plan-3  H5   0.020
 V1G  plan-3  H12  0.020
 V1G  plan-4  C25  0.020
 V1G  plan-4  C32  0.020
 V1G  plan-4  C34  0.020
 V1G  plan-4  N31  0.020
 V1G  plan-4  O33  0.020
 V1G  plan-4  H16  0.020

