# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Mar 24 10:35:32 2022
#   Inital geometry file: a 155 line input string
#   Ligand name: ~{N}-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]benzamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CNC(=O)CN(CC(c1ccccc1)c2ccccc2)C(=O)c3cc(C)c(OC)c(C)c3
#
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
 V9Z  V9Z  ~{N}-(2,2-diphenylethyl)-4-methoxy-3,5-dimethyl-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]benzamide  ligand  62  32  .  2022-08-11  2023-02-15
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_V9Z
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
 V9Z  N12  N  NT    0  -0.442  -18.3427   -6.4791  -22.1261
 V9Z  C13  C  CH2   0  -0.310  -17.2960   -6.3599  -23.1185
 V9Z  C21  C  CR16  0  -0.240  -14.4824   -6.2323  -26.3691
 V9Z  C01  C  CH3   0  -0.512  -22.1510   -3.8550  -20.6575
 V9Z  N05  N  NH1   0  -0.625  -21.4956   -4.8839  -21.4300
 V9Z  C07  C  C     0   0.545  -20.1658   -4.9494  -21.5573
 V9Z  O08  O  O     0  -0.487  -19.3998   -4.1645  -21.0213
 V9Z  C09  C  CH2   0  -0.446  -19.6689   -6.0470  -22.4926
 V9Z  C16  C  CH1   0  -0.413  -17.4371   -7.4024  -24.2414
 V9Z  C18  C  CR6   0   0.160  -16.5186   -7.1165  -25.4081
 V9Z  C19  C  CR16  0  -0.322  -15.2957   -6.4654  -25.2659
 V9Z  C23  C  CR16  0  -0.266  -14.8778   -6.6477  -27.6315
 V9Z  C25  C  CR16  0  -0.240  -16.0943   -7.3016  -27.7852
 V9Z  C27  C  CR16  0  -0.295  -16.9031   -7.5311  -26.6827
 V9Z  C29  C  CR6   0   0.162  -17.2636   -8.8025  -23.6908
 V9Z  C30  C  CR16  0  -0.289  -16.0039   -9.3760  -23.5354
 V9Z  C32  C  CR16  0  -0.229  -15.8634  -10.6429  -22.9880
 V9Z  C34  C  CR16  0  -0.269  -16.9828  -11.3584  -22.5824
 V9Z  C36  C  CR16  0  -0.242  -18.2428  -10.7960  -22.7291
 V9Z  C38  C  CR16  0  -0.310  -18.3789   -9.5284  -23.2810
 V9Z  C40  C  C     0   0.525  -18.2141   -7.0910  -20.9271
 V9Z  O41  O  O     0  -0.476  -19.1918   -7.3705  -20.2468
 V9Z  C42  C  CR6   0  -0.049  -16.8390   -7.3629  -20.4140
 V9Z  C43  C  CR16  0  -0.335  -15.9666   -6.3127  -20.1566
 V9Z  C45  C  CR6   0   0.038  -14.7206   -6.5401  -19.5840
 V9Z  C46  C  CH3   0  -0.718  -13.7788   -5.4020  -19.3215
 V9Z  C50  C  CR6   0   0.271  -14.3624   -7.8568  -19.2864
 V9Z  O51  O  O2    0  -0.482  -13.1280   -8.1070  -18.7596
 V9Z  C52  C  CH3   0  -0.413  -13.0794   -8.0907  -17.3400
 V9Z  C56  C  CR6   0   0.030  -15.2163   -8.9301  -19.5503
 V9Z  C57  C  CH3   0  -0.718  -14.7909  -10.3420  -19.2732
 V9Z  C61  C  CR16  0  -0.325  -16.4634   -8.6605  -20.1017
 V9Z  H1   H  HCH2  0   0.277  -16.3281   -6.4641  -22.6357
 V9Z  H2   H  HCH2  0   0.269  -17.3325   -5.3547  -23.5452
 V9Z  H3   H  HCR6  0   0.253  -13.5366   -5.7223  -26.2369
 V9Z  H4   H  HCH3  0   0.250  -23.2252   -3.9791  -20.7589
 V9Z  H5   H  HCH3  0   0.237  -21.8963   -3.9201  -19.5989
 V9Z  H6   H  HCH3  0   0.239  -21.8862   -2.8590  -21.0125
 V9Z  H7   H  HNH1  0   0.404  -22.0660   -5.5890  -21.8663
 V9Z  H8   H  HCH2  0   0.298  -19.6273   -5.6220  -23.4979
 V9Z  H9   H  HCH2  0   0.276  -20.3739   -6.8809  -22.5366
 V9Z  H10  H  HCH1  0   0.275  -18.4602   -7.3301  -24.6254
 V9Z  H11  H  HCR6  0   0.255  -14.9577   -6.1316  -24.2928
 V9Z  H12  H  HCR6  0   0.253  -14.2453   -6.4626  -28.4901
 V9Z  H13  H  HCR6  0   0.254  -16.4157   -7.6287  -28.7658
 V9Z  H14  H  HCR6  0   0.249  -17.8524   -8.0387  -26.8110
 V9Z  H15  H  HCR6  0   0.251  -15.1195   -8.8340  -23.8485
 V9Z  H16  H  HCR6  0   0.250  -14.8761  -11.0728  -22.8753
 V9Z  H17  H  HCR6  0   0.251  -16.8735  -12.3476  -22.1566
 V9Z  H18  H  HCR6  0   0.252  -19.1232  -11.3446  -22.4191
 V9Z  H19  H  HCR6  0   0.253  -19.3687   -9.1030  -23.4023
 V9Z  H20  H  HCR6  0   0.258  -16.2592   -5.2968  -20.3989
 V9Z  H21  H  HCH3  0   0.246  -13.6211   -5.2394  -18.2541
 V9Z  H22  H  HCH3  0   0.245  -12.7992   -5.5793  -19.7660
 V9Z  H23  H  HCH3  0   0.248  -14.1718   -4.4753  -19.7368
 V9Z  H24  H  HCH3  0   0.239  -12.0574   -8.3266  -17.0495
 V9Z  H25  H  HCH3  0   0.224  -13.3401   -7.1099  -16.9339
 V9Z  H26  H  HCH3  0   0.224  -13.7486   -8.8354  -16.9012
 V9Z  H27  H  HCH3  0   0.244  -13.8491  -10.5819  -19.7677
 V9Z  H28  H  HCH3  0   0.246  -14.6486  -10.5263  -18.2071
 V9Z  H29  H  HCH3  0   0.247  -15.5420  -11.0446  -19.6308
 V9Z  H30  H  HCR6  0   0.255  -17.1351   -9.4832  -20.3155

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
 V9Z  C25  C23  aromatic  1.390  0.020  1.390
 V9Z  C25  C27  aromatic  1.386  0.020  1.386
 V9Z  C23  C21  aromatic  1.387  0.020  1.387
 V9Z  C27  C18  aromatic  1.394  0.020  1.394
 V9Z  C21  C19  aromatic  1.390  0.020  1.390
 V9Z  C18  C19  aromatic  1.393  0.020  1.393
 V9Z  C18  C16  single    1.512  0.020  1.512
 V9Z  C16  C29  single    1.514  0.020  1.514
 V9Z  C16  C13  single    1.539  0.020  1.539
 V9Z  C29  C30  aromatic  1.393  0.020  1.393
 V9Z  C29  C38  aromatic  1.392  0.020  1.392
 V9Z  C30  C32  aromatic  1.387  0.020  1.387
 V9Z  C38  C36  aromatic  1.389  0.020  1.389
 V9Z  C32  C34  aromatic  1.389  0.020  1.389
 V9Z  C13  N12  single    1.447  0.020  1.447
 V9Z  C36  C34  aromatic  1.388  0.020  1.388
 V9Z  C09  N12  single    1.442  0.020  1.442
 V9Z  C09  C07  single    1.525  0.020  1.525
 V9Z  N12  C40  single    1.352  0.020  1.352
 V9Z  N05  C07  single    1.338  0.020  1.338
 V9Z  N05  C01  single    1.444  0.020  1.444
 V9Z  C07  O08  double    1.221  0.020  1.221
 V9Z  C40  C42  single    1.493  0.020  1.493
 V9Z  C40  O41  double    1.223  0.020  1.223
 V9Z  C42  C61  aromatic  1.386  0.020  1.386
 V9Z  C42  C43  aromatic  1.389  0.020  1.389
 V9Z  C61  C56  aromatic  1.390  0.020  1.390
 V9Z  C43  C45  aromatic  1.390  0.020  1.390
 V9Z  C56  C57  single    1.500  0.020  1.500
 V9Z  C56  C50  aromatic  1.397  0.020  1.397
 V9Z  C45  C50  aromatic  1.397  0.020  1.397
 V9Z  C45  C46  single    1.500  0.020  1.500
 V9Z  C50  O51  single    1.365  0.020  1.365
 V9Z  O51  C52  single    1.420  0.020  1.420
 V9Z  C13  H1   single    0.970  0.020  1.090
 V9Z  C13  H2   single    0.970  0.020  1.090
 V9Z  C21  H3   single    0.930  0.020  1.080
 V9Z  C01  H4   single    0.970  0.020  1.090
 V9Z  C01  H5   single    0.970  0.020  1.090
 V9Z  C01  H6   single    0.970  0.020  1.090
 V9Z  N05  H7   single    0.860  0.020  1.020
 V9Z  C09  H8   single    0.970  0.020  1.090
 V9Z  C09  H9   single    0.970  0.020  1.090
 V9Z  C16  H10  single    0.970  0.020  1.090
 V9Z  C19  H11  single    0.930  0.020  1.080
 V9Z  C23  H12  single    0.930  0.020  1.080
 V9Z  C25  H13  single    0.930  0.020  1.080
 V9Z  C27  H14  single    0.930  0.020  1.080
 V9Z  C30  H15  single    0.930  0.020  1.080
 V9Z  C32  H16  single    0.930  0.020  1.080
 V9Z  C34  H17  single    0.930  0.020  1.080
 V9Z  C36  H18  single    0.930  0.020  1.080
 V9Z  C38  H19  single    0.930  0.020  1.080
 V9Z  C43  H20  single    0.930  0.020  1.080
 V9Z  C46  H21  single    0.970  0.020  1.090
 V9Z  C46  H22  single    0.970  0.020  1.090
 V9Z  C46  H23  single    0.970  0.020  1.090
 V9Z  C52  H24  single    0.970  0.020  1.090
 V9Z  C52  H25  single    0.970  0.020  1.090
 V9Z  C52  H26  single    0.970  0.020  1.090
 V9Z  C57  H27  single    0.970  0.020  1.090
 V9Z  C57  H28  single    0.970  0.020  1.090
 V9Z  C57  H29  single    0.970  0.020  1.090
 V9Z  C61  H30  single    0.930  0.020  1.080

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
 V9Z  C40  N12  C09  116.64  3.000
 V9Z  C40  N12  C13  125.20  3.000
 V9Z  C09  N12  C13  117.79  3.000
 V9Z  H2   C13  H1   106.95  3.000
 V9Z  H2   C13  C16  109.59  3.000
 V9Z  H1   C13  C16  109.94  3.000
 V9Z  H2   C13  N12  108.63  3.000
 V9Z  H1   C13  N12  109.37  3.000
 V9Z  C16  C13  N12  112.23  3.000
 V9Z  H3   C21  C23  120.09  3.000
 V9Z  H3   C21  C19  119.55  3.000
 V9Z  C23  C21  C19  120.36  3.000
 V9Z  H6   C01  H5   108.29  3.000
 V9Z  H6   C01  H4   108.32  3.000
 V9Z  H5   C01  H4   108.34  3.000
 V9Z  H6   C01  N05  111.50  3.000
 V9Z  H5   C01  N05  111.76  3.000
 V9Z  H4   C01  N05  108.52  3.000
 V9Z  H7   N05  C07  119.21  3.000
 V9Z  H7   N05  C01  118.29  3.000
 V9Z  C07  N05  C01  122.49  3.000
 V9Z  C09  C07  O08  121.84  3.000
 V9Z  O08  C07  N05  123.41  3.000
 V9Z  C09  C07  N05  114.68  3.000
 V9Z  H9   C09  H8   106.52  3.000
 V9Z  H9   C09  C07  111.32  3.000
 V9Z  H8   C09  C07  107.27  3.000
 V9Z  H9   C09  N12  112.01  3.000
 V9Z  H8   C09  N12  108.39  3.000
 V9Z  C07  C09  N12  111.06  3.000
 V9Z  H10  C16  C29  107.19  3.000
 V9Z  H10  C16  C18  106.53  3.000
 V9Z  C29  C16  C18  112.69  3.000
 V9Z  H10  C16  C13  107.26  3.000
 V9Z  C29  C16  C13  110.52  3.000
 V9Z  C18  C16  C13  112.28  3.000
 V9Z  C27  C18  C19  118.32  3.000
 V9Z  C19  C18  C16  122.89  3.000
 V9Z  C27  C18  C16  118.79  3.000
 V9Z  H11  C19  C18  120.66  3.000
 V9Z  H11  C19  C21  118.61  3.000
 V9Z  C18  C19  C21  120.73  3.000
 V9Z  H12  C23  C25  120.29  3.000
 V9Z  H12  C23  C21  120.28  3.000
 V9Z  C25  C23  C21  119.43  3.000
 V9Z  H13  C25  C27  119.81  3.000
 V9Z  H13  C25  C23  120.15  3.000
 V9Z  C27  C25  C23  120.04  3.000
 V9Z  H14  C27  C25  119.62  3.000
 V9Z  H14  C27  C18  119.26  3.000
 V9Z  C25  C27  C18  121.12  3.000
 V9Z  C38  C29  C30  118.49  3.000
 V9Z  C38  C29  C16  119.81  3.000
 V9Z  C30  C29  C16  121.66  3.000
 V9Z  H15  C30  C32  119.22  3.000
 V9Z  H15  C30  C29  120.00  3.000
 V9Z  C32  C30  C29  120.77  3.000
 V9Z  H16  C32  C34  120.00  3.000
 V9Z  H16  C32  C30  119.74  3.000
 V9Z  C34  C32  C30  120.26  3.000
 V9Z  H17  C34  C36  120.25  3.000
 V9Z  H17  C34  C32  120.27  3.000
 V9Z  C36  C34  C32  119.48  3.000
 V9Z  H18  C36  C38  119.76  3.000
 V9Z  H18  C36  C34  120.19  3.000
 V9Z  C38  C36  C34  120.05  3.000
 V9Z  H19  C38  C36  119.47  3.000
 V9Z  H19  C38  C29  119.59  3.000
 V9Z  C36  C38  C29  120.94  3.000
 V9Z  C42  C40  O41  120.23  3.000
 V9Z  O41  C40  N12  121.36  3.000
 V9Z  C42  C40  N12  118.35  3.000
 V9Z  C61  C42  C43  119.71  3.000
 V9Z  C43  C42  C40  120.29  3.000
 V9Z  C61  C42  C40  119.84  3.000
 V9Z  H20  C43  C45  119.14  3.000
 V9Z  H20  C43  C42  119.82  3.000
 V9Z  C45  C43  C42  121.04  3.000
 V9Z  C50  C45  C46  121.13  3.000
 V9Z  C46  C45  C43  120.71  3.000
 V9Z  C50  C45  C43  118.15  3.000
 V9Z  H23  C46  H22  107.89  3.000
 V9Z  H23  C46  H21  107.36  3.000
 V9Z  H22  C46  H21  107.05  3.000
 V9Z  H23  C46  C45  110.63  3.000
 V9Z  H22  C46  C45  111.67  3.000
 V9Z  H21  C46  C45  112.02  3.000
 V9Z  C56  C50  O51  119.00  3.000
 V9Z  O51  C50  C45  119.14  3.000
 V9Z  C56  C50  C45  121.83  3.000
 V9Z  C52  O51  C50  114.49  3.000
 V9Z  H26  C52  H25  108.43  3.000
 V9Z  H26  C52  H24  108.66  3.000
 V9Z  H25  C52  H24  108.62  3.000
 V9Z  H26  C52  O51  111.86  3.000
 V9Z  H25  C52  O51  111.93  3.000
 V9Z  H24  C52  O51  107.24  3.000
 V9Z  C61  C56  C57  120.68  3.000
 V9Z  C57  C56  C50  120.99  3.000
 V9Z  C61  C56  C50  118.32  3.000
 V9Z  H29  C57  H28  107.57  3.000
 V9Z  H29  C57  H27  107.75  3.000
 V9Z  H28  C57  H27  107.05  3.000
 V9Z  H29  C57  C56  110.55  3.000
 V9Z  H28  C57  C56  112.11  3.000
 V9Z  H27  C57  C56  111.60  3.000
 V9Z  H30  C61  C56  119.16  3.000
 V9Z  H30  C61  C42  119.88  3.000
 V9Z  C56  C61  C42  120.93  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
 V9Z  CONST_01  C27  C25  C23  C21     0.00   0.0  0
 V9Z  CONST_02  C27  C18  C19  C21     0.00   0.0  0
 V9Z  CONST_03  C23  C25  C27  C18     0.00   0.0  0
 V9Z  CONST_04  C23  C21  C19  C18     0.00   0.0  0
 V9Z  CONST_05  C25  C23  C21  C19     0.00   0.0  0
 V9Z  CONST_06  C25  C27  C18  C19     0.00   0.0  0
 V9Z  CONST_07  C34  C32  C30  C29     0.00   0.0  0
 V9Z  CONST_08  C34  C36  C38  C29     0.00   0.0  0
 V9Z  CONST_09  C36  C38  C29  C30     0.00   0.0  0
 V9Z  CONST_10  C36  C34  C32  C30     0.00   0.0  0
 V9Z  CONST_11  C38  C29  C30  C32     0.00   0.0  0
 V9Z  CONST_12  C38  C36  C34  C32     0.00   0.0  0
 V9Z  CONST_13  C50  C56  C61  C42     0.00   0.0  0
 V9Z  CONST_14  C50  C45  C43  C42     0.00   0.0  0
 V9Z  CONST_15  C56  C61  C42  C43     0.00   0.0  0
 V9Z  CONST_16  C56  C50  C45  C43     0.00   0.0  0
 V9Z  CONST_17  C61  C42  C43  C45     0.00   0.0  0
 V9Z  CONST_18  C61  C56  C50  C45     0.00   0.0  0
 V9Z  CONST_19  C16  C18  C19  C21   180.00   0.0  0
 V9Z  CONST_20  C25  C27  C18  C16   180.00   0.0  0
 V9Z  CONST_21  C32  C30  C29  C16   180.00   0.0  0
 V9Z  CONST_22  C36  C38  C29  C16   180.00   0.0  0
 V9Z  CONST_23  C56  C61  C42  C40   180.00   0.0  0
 V9Z  CONST_24  C45  C43  C42  C40   180.00   0.0  0
 V9Z  CONST_25  C57  C56  C61  C42   180.00   0.0  0
 V9Z  CONST_26  C46  C45  C43  C42   180.00   0.0  0
 V9Z  CONST_27  O51  C50  C45  C43   180.00   0.0  0
 V9Z  CONST_28  C57  C56  C50  C45   180.00   0.0  0
 V9Z  CONST_29  C56  C50  C45  C46   180.00   0.0  0
 V9Z  CONST_30  C61  C56  C50  O51   180.00   0.0  0
 V9Z  CONST_31  H13  C25  C23  C21   180.00   0.0  0
 V9Z  CONST_32  H3   C21  C19  C18   180.00   0.0  0
 V9Z  CONST_33  H12  C23  C21  C19   180.00   0.0  0
 V9Z  CONST_34  H14  C27  C18  C19   180.00   0.0  0
 V9Z  CONST_35  H11  C19  C21  C23   180.00   0.0  0
 V9Z  CONST_36  H16  C32  C30  C29   180.00   0.0  0
 V9Z  CONST_37  H18  C36  C38  C29   180.00   0.0  0
 V9Z  CONST_38  H19  C38  C29  C30   180.00   0.0  0
 V9Z  CONST_39  H17  C34  C32  C30   180.00   0.0  0
 V9Z  CONST_40  H15  C30  C32  C34   180.00   0.0  0
 V9Z  CONST_41  H30  C61  C42  C43   180.00   0.0  0
 V9Z  CONST_42  H20  C43  C45  C50   180.00   0.0  0
 V9Z  CONST_44  C42  C40  N12  C09   180.00   0.0  0
 V9Z  CONST_45  O41  C40  N12  C13   180.00   0.0  0
 V9Z  CONST_46  C09  C07  N05  C01   180.00   0.0  0
 V9Z  CONST_47  O08  C07  N05  C01     0.00   0.0  0
 V9Z  CONST_48  O41  C40  N12  C09     0.00   0.0  0
 V9Z  CONST_49  H7   N05  C07  O08   180.00   0.0  0
 V9Z  Var_01    C30  C29  C16  C18    41.53  30.0  2
 V9Z  Var_02    C29  C16  C18  C19   -96.30  30.0  2
 V9Z  Var_03    C61  C42  C40  N12  -122.73  30.0  2
 V9Z  Var_04    C56  C50  O51  C52   -91.27  30.0  2
 V9Z  Var_05    H21  C46  C45  C43   113.41  30.0  2
 V9Z  Var_06    H27  C57  C56  C50   -54.50  30.0  2
 V9Z  Var_07    C18  C16  C13  N12   168.88  30.0  1
 V9Z  Var_08    H24  C52  O51  C50   178.60  30.0  3
 V9Z  Var_09    N05  C07  C09  N12  -152.88  30.0  3
 V9Z  Var_10    C07  C09  N12  C13  -121.33  30.0  1
 V9Z  Var_11    C16  C13  N12  C09   -72.73  30.0  3
 V9Z  Var_12    H4   C01  N05  C07   176.46  30.0  3

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
 V9Z  plan-1  C21  0.020
 V9Z  plan-1  C16  0.020
 V9Z  plan-1  C18  0.020
 V9Z  plan-1  C19  0.020
 V9Z  plan-1  C23  0.020
 V9Z  plan-1  C25  0.020
 V9Z  plan-1  C27  0.020
 V9Z  plan-1  H3   0.020
 V9Z  plan-1  H11  0.020
 V9Z  plan-1  H12  0.020
 V9Z  plan-1  H13  0.020
 V9Z  plan-1  H14  0.020
 V9Z  plan-2  C16  0.020
 V9Z  plan-2  C29  0.020
 V9Z  plan-2  C30  0.020
 V9Z  plan-2  C32  0.020
 V9Z  plan-2  C34  0.020
 V9Z  plan-2  C36  0.020
 V9Z  plan-2  C38  0.020
 V9Z  plan-2  H15  0.020
 V9Z  plan-2  H16  0.020
 V9Z  plan-2  H17  0.020
 V9Z  plan-2  H18  0.020
 V9Z  plan-2  H19  0.020
 V9Z  plan-3  C40  0.020
 V9Z  plan-3  C42  0.020
 V9Z  plan-3  C43  0.020
 V9Z  plan-3  C45  0.020
 V9Z  plan-3  C46  0.020
 V9Z  plan-3  C50  0.020
 V9Z  plan-3  O51  0.020
 V9Z  plan-3  C56  0.020
 V9Z  plan-3  C57  0.020
 V9Z  plan-3  C61  0.020
 V9Z  plan-3  H20  0.020
 V9Z  plan-3  H30  0.020
 V9Z  plan-4  C01  0.020
 V9Z  plan-4  N05  0.020
 V9Z  plan-4  C07  0.020
 V9Z  plan-4  O08  0.020
 V9Z  plan-4  C09  0.020
 V9Z  plan-4  H7   0.020
 V9Z  plan-5  N12  0.020
 V9Z  plan-5  C13  0.020
 V9Z  plan-5  C09  0.020
 V9Z  plan-5  C40  0.020
 V9Z  plan-5  O41  0.020
 V9Z  plan-5  C42  0.020

