# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Apr 10 17:50:30 2020
#   Inital geometry file: a 155 line input string
#   Ligand name: N-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C(CCN1CCC(CC1)OC(c2ccccc2)c3ccccc3)CNc4ccc5nncn5n4
#
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
 91V  91V  N-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine  ligand  66  34  .  2021-08-06  2021-08-06  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_91V
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
 91V  C5   C  CH2   0  -0.277    1.6099   1.6272  -2.0123
 91V  C6   C  CH2   0  -0.462    2.8745   2.3181  -1.5227
 91V  C7   C  CH1   0   0.034    3.4254   1.6597  -0.2686
 91V  C8   C  CH2   0  -0.489    2.3115   1.5782   0.7683
 91V  C13  C  CR16  0  -0.321    4.9640  -1.9159  -1.6693
 91V  C15  C  CR16  0  -0.269    5.6474  -4.2063  -1.3502
 91V  C17  C  CR16  0  -0.283    5.1732  -2.8071   0.5474
 91V  C20  C  CR16  0  -0.241    6.9677   0.9794   2.8651
 91V  C21  C  CR16  0  -0.267    7.9806   1.4497   2.0430
 91V  C22  C  CR16  0  -0.242    7.8626   1.3240   0.6621
 91V  C24  C  CH2   0  -0.240   -4.2994   0.6990  -0.2967
 91V  C26  C  CR6   0   0.519   -6.7007   0.1948  -0.4128
 91V  C28  C  CR16  0  -0.263   -9.0564  -0.2895  -0.6842
 91V  C1   C  CH2   0  -0.472   -3.1224   0.7403  -1.2572
 91V  C2   C  CH2   0  -0.456   -1.8153   1.0588  -0.5424
 91V  N4   N  NT    0  -0.425    0.5890   1.5800  -0.9782
 91V  C9   C  CH2   0  -0.278    1.0716   0.8964   0.2106
 91V  O10  O  O2    0  -0.489    3.9026   0.3833  -0.6654
 91V  C11  C  CH1   0  -0.043    4.4966  -0.4086   0.3245
 91V  C12  C  CR6   0   0.086    4.8746  -1.7369  -0.2932
 91V  C14  C  CR16  0  -0.238    5.3492  -3.1454  -2.1926
 91V  C16  C  CR16  0  -0.243    5.5567  -4.0331   0.0261
 91V  C18  C  CR6   0   0.102    5.7199   0.2512   0.9306
 91V  C19  C  CR16  0  -0.321    5.8396   0.3872   2.3072
 91V  C23  C  CR16  0  -0.277    6.7406   0.7266   0.1100
 91V  N25  N  NH1   0  -0.678   -5.5229   0.4225  -1.0140
 91V  C27  C  CR16  0  -0.303   -7.8618  -0.0323  -1.2490
 91V  C29  C  CR56  0   0.460   -9.1100  -0.3252   0.7340
 91V  N30  N  N     0  -0.343  -10.0863  -0.5457   1.5887
 91V  N31  N  N     0  -0.320   -9.5593  -0.4545   2.8210
 91V  C32  C  CR15  0   0.059   -8.2825  -0.1829   2.7160
 91V  N33  N  N     0  -0.331   -7.9517  -0.0921   1.4117
 91V  N34  N  N     0  -0.346   -6.7401   0.1769   0.8955
 91V  H1   H  HCH2  0   0.231    1.2107   2.1795  -2.8672
 91V  H2   H  HCH2  0   0.192    1.8588   0.6185  -2.3820
 91V  H3   H  HCH2  0   0.239    3.6273   2.3163  -2.3144
 91V  H4   H  HCH2  0   0.228    2.6539   3.3640  -1.2949
 91V  H5   H  HCH1  0   0.228    4.2532   2.2606   0.1308
 91V  H6   H  HCH2  0   0.241    2.6369   1.0685   1.6782
 91V  H7   H  HCH2  0   0.238    2.0588   2.5987   1.0688
 91V  H8   H  HCR6  0   0.252    4.7318  -1.1005  -2.3406
 91V  H9   H  HCR6  0   0.254    5.9470  -5.1619  -1.7604
 91V  H10  H  HCR6  0   0.248    5.1063  -2.6799   1.6223
 91V  H11  H  HCR6  0   0.256    7.0497   1.0779   3.9400
 91V  H12  H  HCR6  0   0.256    8.8587   1.9139   2.4725
 91V  H13  H  HCR6  0   0.255    8.6505   1.6918   0.0172
 91V  H14  H  HCH2  0   0.235   -4.1392  -0.0787   0.4546
 91V  H15  H  HCH2  0   0.231   -4.3761   1.6487   0.2454
 91V  H16  H  HCR6  0   0.301   -9.9487  -0.4667  -1.2673
 91V  H17  H  HCH2  0   0.234   -3.0425  -0.2243  -1.7684
 91V  H18  H  HCH2  0   0.233   -3.3066   1.4936  -2.0299
 91V  H19  H  HCH2  0   0.224   -1.8669   2.0574  -0.0979
 91V  H20  H  HCH2  0   0.229   -1.6790   0.3524   0.2810
 91V  H21  H  HCH2  0   0.184   -0.4825  -0.0461  -1.8226
 91V  H22  H  HCH2  0   0.222   -0.8973   1.5593  -2.4063
 91V  H24  H  HCH2  0   0.190    1.2848  -0.1681   0.0085
 91V  H25  H  HCH2  0   0.241    0.2933   0.9156   0.9745
 91V  H26  H  HCH1  0   0.239    3.7874  -0.6136   1.1401
 91V  H27  H  HCR6  0   0.253    5.4145  -3.2716  -3.2659
 91V  H28  H  HCR6  0   0.255    5.7829  -4.8547   0.6936
 91V  H29  H  HCR6  0   0.249    5.0441   0.0298   2.9517
 91V  H30  H  HCR6  0   0.253    6.6581   0.6289  -0.9662
 91V  H31  H  HNH1  0   0.407   -5.5245   0.5409  -2.0133
 91V  H32  H  HCR6  0   0.296   -7.7468   0.0043  -2.3237
 91V  H33  H  HCR5  0   0.307   -7.5803  -0.0458   3.5218
 91V  C3   C  CH2   0  -0.244   -0.6331   1.0008  -1.5025

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
 91V  C22  C21  aromatic  1.392  0.020  1.392
 91V  C22  C23  aromatic  1.386  0.020  1.386
 91V  C21  C20  aromatic  1.387  0.020  1.387
 91V  C23  C18  aromatic  1.393  0.020  1.393
 91V  C20  C19  aromatic  1.391  0.020  1.391
 91V  C18  C19  aromatic  1.388  0.020  1.388
 91V  C18  C11  single    1.516  0.020  1.516
 91V  C16  C17  aromatic  1.386  0.020  1.386
 91V  C16  C15  aromatic  1.390  0.020  1.390
 91V  C17  C12  aromatic  1.393  0.020  1.393
 91V  C15  C14  aromatic  1.387  0.020  1.387
 91V  C12  C11  single    1.513  0.020  1.513
 91V  C12  C13  aromatic  1.391  0.020  1.391
 91V  C11  O10  single    1.400  0.020  1.400
 91V  C14  C13  aromatic  1.391  0.020  1.391
 91V  O10  C7   single    1.419  0.020  1.419
 91V  C8   C7   single    1.524  0.020  1.524
 91V  C8   C9   single    1.521  0.020  1.521
 91V  C7   C6   single    1.520  0.020  1.520
 91V  C9   N4   single    1.454  0.020  1.454
 91V  C6   C5   single    1.522  0.020  1.522
 91V  C5   N4   single    1.454  0.020  1.454
 91V  N4   C3   single    1.451  0.020  1.451
 91V  C3   C2   single    1.524  0.020  1.524
 91V  C2   C1   single    1.524  0.020  1.524
 91V  C1   C24  single    1.520  0.020  1.520
 91V  N25  C24  single    1.445  0.020  1.445
 91V  N25  C26  single    1.342  0.020  1.342
 91V  C27  C26  aromatic  1.449  0.020  1.449
 91V  C27  C28  aromatic  1.346  0.020  1.346
 91V  C26  N34  aromatic  1.309  0.020  1.309
 91V  C28  C29  aromatic  1.420  0.020  1.420
 91V  N34  N33  aromatic  1.344  0.020  1.344
 91V  C29  N33  aromatic  1.362  0.020  1.362
 91V  C29  N30  aromatic  1.316  0.020  1.316
 91V  N33  C32  aromatic  1.349  0.020  1.349
 91V  N30  N31  aromatic  1.343  0.020  1.343
 91V  C32  N31  aromatic  1.310  0.020  1.310
 91V  C5   H1   single    0.970  0.020  1.090
 91V  C5   H2   single    0.970  0.020  1.090
 91V  C6   H3   single    0.970  0.020  1.090
 91V  C6   H4   single    0.970  0.020  1.090
 91V  C7   H5   single    0.970  0.020  1.090
 91V  C8   H6   single    0.970  0.020  1.090
 91V  C8   H7   single    0.970  0.020  1.090
 91V  C13  H8   single    0.930  0.020  1.080
 91V  C15  H9   single    0.930  0.020  1.080
 91V  C17  H10  single    0.930  0.020  1.080
 91V  C20  H11  single    0.930  0.020  1.080
 91V  C21  H12  single    0.930  0.020  1.080
 91V  C22  H13  single    0.930  0.020  1.080
 91V  C24  H14  single    0.970  0.020  1.090
 91V  C24  H15  single    0.970  0.020  1.090
 91V  C28  H16  single    0.930  0.020  1.080
 91V  C1   H17  single    0.970  0.020  1.090
 91V  C1   H18  single    0.970  0.020  1.090
 91V  C2   H19  single    0.970  0.020  1.090
 91V  C2   H20  single    0.970  0.020  1.090
 91V  C3   H21  single    0.970  0.020  1.090
 91V  C3   H22  single    0.970  0.020  1.090
 91V  C9   H24  single    0.970  0.020  1.090
 91V  C9   H25  single    0.970  0.020  1.090
 91V  C11  H26  single    0.970  0.020  1.090
 91V  C14  H27  single    0.930  0.020  1.080
 91V  C16  H28  single    0.930  0.020  1.080
 91V  C19  H29  single    0.930  0.020  1.080
 91V  C23  H30  single    0.930  0.020  1.080
 91V  N25  H31  single    0.860  0.020  1.020
 91V  C27  H32  single    0.930  0.020  1.080
 91V  C32  H33  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
 91V  H2   C5   H1   106.40  3.000
 91V  H2   C5   N4   111.54  3.000
 91V  H1   C5   N4   108.43  3.000
 91V  H2   C5   C6   109.61  3.000
 91V  H1   C5   C6   109.00  3.000
 91V  N4   C5   C6   111.68  3.000
 91V  H4   C6   H3   106.96  3.000
 91V  H4   C6   C7   108.40  3.000
 91V  H3   C6   C7   110.34  3.000
 91V  H4   C6   C5   109.50  3.000
 91V  H3   C6   C5   109.80  3.000
 91V  C7   C6   C5   111.72  3.000
 91V  H5   C7   O10  109.90  3.000
 91V  H5   C7   C8   109.44  3.000
 91V  O10  C7   C8   112.82  3.000
 91V  H5   C7   C6   109.65  3.000
 91V  C8   C7   C6   108.64  3.000
 91V  O10  C7   C6   106.31  3.000
 91V  H7   C8   H6   105.98  3.000
 91V  H7   C8   C9   109.31  3.000
 91V  H6   C8   C9   109.82  3.000
 91V  H7   C8   C7   107.82  3.000
 91V  H6   C8   C7   111.96  3.000
 91V  C9   C8   C7   111.74  3.000
 91V  H8   C13  C14  119.50  3.000
 91V  H8   C13  C12  120.23  3.000
 91V  C14  C13  C12  120.26  3.000
 91V  H9   C15  C16  120.23  3.000
 91V  H9   C15  C14  120.31  3.000
 91V  C16  C15  C14  119.47  3.000
 91V  H10  C17  C16  119.57  3.000
 91V  H10  C17  C12  119.66  3.000
 91V  C16  C17  C12  120.77  3.000
 91V  H11  C20  C19  119.90  3.000
 91V  H11  C20  C21  120.17  3.000
 91V  C19  C20  C21  119.93  3.000
 91V  H12  C21  C22  120.09  3.000
 91V  H12  C21  C20  120.19  3.000
 91V  C22  C21  C20  119.72  3.000
 91V  H13  C22  C23  119.89  3.000
 91V  H13  C22  C21  119.91  3.000
 91V  C23  C22  C21  120.19  3.000
 91V  H15  C24  H14  106.66  3.000
 91V  H15  C24  N25  110.61  3.000
 91V  H14  C24  N25  109.22  3.000
 91V  H15  C24  C1   110.07  3.000
 91V  H14  C24  C1   109.89  3.000
 91V  N25  C24  C1   110.32  3.000
 91V  N34  C26  C27  123.41  3.000
 91V  N34  C26  N25  118.46  3.000
 91V  C27  C26  N25  118.13  3.000
 91V  H16  C28  C29  120.25  3.000
 91V  H16  C28  C27  122.53  3.000
 91V  C29  C28  C27  117.22  3.000
 91V  H18  C1   H17  106.80  3.000
 91V  H18  C1   C2   109.37  3.000
 91V  H17  C1   C2   109.92  3.000
 91V  H18  C1   C24  109.54  3.000
 91V  H17  C1   C24  109.14  3.000
 91V  C2   C1   C24  111.94  3.000
 91V  H20  C2   H19  106.83  3.000
 91V  H20  C2   C3   110.68  3.000
 91V  H19  C2   C3   109.10  3.000
 91V  H20  C2   C1   108.98  3.000
 91V  H19  C2   C1   109.94  3.000
 91V  C3   C2   C1   111.22  3.000
 91V  C9   N4   C3   112.80  3.000
 91V  C3   N4   C5   110.33  3.000
 91V  C9   N4   C5   111.33  3.000
 91V  H25  C9   H24  106.43  3.000
 91V  H25  C9   N4   109.12  3.000
 91V  H24  C9   N4   111.57  3.000
 91V  H25  C9   C8   108.49  3.000
 91V  H24  C9   C8   109.99  3.000
 91V  N4   C9   C8   111.08  3.000
 91V  C11  O10  C7   116.98  3.000
 91V  H26  C11  C18  107.75  3.000
 91V  H26  C11  C12  107.47  3.000
 91V  C18  C11  C12  110.10  3.000
 91V  H26  C11  O10  110.86  3.000
 91V  C12  C11  O10  108.30  3.000
 91V  C18  C11  O10  112.26  3.000
 91V  C11  C12  C17  118.79  3.000
 91V  C11  C12  C13  122.21  3.000
 91V  C17  C12  C13  118.98  3.000
 91V  H27  C14  C15  120.00  3.000
 91V  H27  C14  C13  119.52  3.000
 91V  C15  C14  C13  120.48  3.000
 91V  H28  C16  C17  119.81  3.000
 91V  H28  C16  C15  120.15  3.000
 91V  C17  C16  C15  120.04  3.000
 91V  C23  C18  C19  119.16  3.000
 91V  C19  C18  C11  120.57  3.000
 91V  C23  C18  C11  120.27  3.000
 91V  H29  C19  C18  119.59  3.000
 91V  H29  C19  C20  119.79  3.000
 91V  C18  C19  C20  120.62  3.000
 91V  H30  C23  C18  119.89  3.000
 91V  H30  C23  C22  119.75  3.000
 91V  C18  C23  C22  120.37  3.000
 91V  H31  N25  C26  117.61  3.000
 91V  H31  N25  C24  118.16  3.000
 91V  C26  N25  C24  123.59  3.000
 91V  H32  C27  C28  121.18  3.000
 91V  H32  C27  C26  118.89  3.000
 91V  C28  C27  C26  119.93  3.000
 91V  N33  C29  N30  109.66  3.000
 91V  N30  C29  C28  132.91  3.000
 91V  N33  C29  C28  117.43  3.000
 91V  N31  N30  C29  107.06  3.000
 91V  C32  N31  N30  108.85  3.000
 91V  H33  C32  N33  123.69  3.000
 91V  H33  C32  N31  127.00  3.000
 91V  N33  C32  N31  109.31  3.000
 91V  N34  N33  C32  127.30  3.000
 91V  C32  N33  C29  105.13  3.000
 91V  N34  N33  C29  127.57  3.000
 91V  N33  N34  C26  114.43  3.000
 91V  H22  C3   H21  106.09  3.000
 91V  H22  C3   N4   107.34  3.000
 91V  H21  C3   N4   111.61  3.000
 91V  H22  C3   C2   108.26  3.000
 91V  H21  C3   C2   108.92  3.000
 91V  N4   C3   C2   114.24  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
 91V  CONST_01  C16  C17  C12  C13     0.00   0.0  0
 91V  CONST_02  C16  C15  C14  C13     0.00   0.0  0
 91V  CONST_03  C12  C17  C16  C15     0.00   0.0  0
 91V  CONST_04  C12  C13  C14  C15     0.00   0.0  0
 91V  CONST_05  C14  C15  C16  C17     0.00   0.0  0
 91V  CONST_06  C14  C13  C12  C17     0.00   0.0  0
 91V  CONST_07  C23  C22  C21  C20     0.00   0.0  0
 91V  CONST_08  C23  C18  C19  C20     0.00   0.0  0
 91V  CONST_09  C18  C23  C22  C21     0.00   0.0  0
 91V  CONST_10  C18  C19  C20  C21     0.00   0.0  0
 91V  CONST_11  C19  C20  C21  C22     0.00   0.0  0
 91V  CONST_12  C19  C18  C23  C22     0.00   0.0  0
 91V  CONST_13  C29  C28  C27  C26     0.00   0.0  0
 91V  CONST_14  C29  N33  N34  C26     0.00   0.0  0
 91V  CONST_15  C32  N33  N34  C26   180.00   0.0  0
 91V  CONST_16  N34  C26  C27  C28     0.00   0.0  0
 91V  CONST_17  N34  N33  C29  C28     0.00   0.0  0
 91V  CONST_18  C32  N33  C29  C28   180.00   0.0  0
 91V  CONST_19  N31  N30  C29  C28   180.00   0.0  0
 91V  CONST_20  N33  N34  C26  C27     0.00   0.0  0
 91V  CONST_21  N33  C29  C28  C27     0.00   0.0  0
 91V  CONST_22  N30  C29  C28  C27   180.00   0.0  0
 91V  CONST_23  N31  C32  N33  C29     0.00   0.0  0
 91V  CONST_24  C32  N31  N30  C29     0.00   0.0  0
 91V  CONST_25  N34  N33  C29  N30   180.00   0.0  0
 91V  CONST_26  C32  N33  C29  N30     0.00   0.0  0
 91V  CONST_27  N33  C32  N31  N30     0.00   0.0  0
 91V  CONST_28  N33  C29  N30  N31     0.00   0.0  0
 91V  CONST_29  N34  N33  C32  N31   180.00   0.0  0
 91V  CONST_30  C11  C18  C19  C20   180.00   0.0  0
 91V  CONST_31  C11  C18  C23  C22   180.00   0.0  0
 91V  CONST_32  N25  C26  C27  C28   180.00   0.0  0
 91V  CONST_33  C16  C17  C12  C11   180.00   0.0  0
 91V  CONST_34  C14  C13  C12  C11   180.00   0.0  0
 91V  CONST_35  N33  N34  C26  N25   180.00   0.0  0
 91V  CONST_36  H10  C17  C12  C13   180.00   0.0  0
 91V  CONST_37  H9   C15  C14  C13   180.00   0.0  0
 91V  CONST_38  H8   C13  C14  C15   180.00   0.0  0
 91V  CONST_39  H13  C22  C21  C20   180.00   0.0  0
 91V  CONST_40  H30  C23  C22  C21   180.00   0.0  0
 91V  CONST_41  H29  C19  C20  C21   180.00   0.0  0
 91V  CONST_42  H11  C20  C21  C22   180.00   0.0  0
 91V  CONST_43  H16  C28  C27  C26   180.00   0.0  0
 91V  CONST_44  H28  C16  C17  C12   180.00   0.0  0
 91V  CONST_45  H27  C14  C13  C12   180.00   0.0  0
 91V  CONST_46  H12  C21  C20  C19   180.00   0.0  0
 91V  CONST_47  H32  C27  C28  C29   180.00   0.0  0
 91V  CONST_48  H33  C32  N33  C29   180.00   0.0  0
 91V  CONST_49  C27  C26  N25  C24   180.00   0.0  0
 91V  CONST_50  N34  C26  N25  C24     0.00   0.0  0
 91V  CONST_51  H31  N25  C26  C27     0.00   0.0  0
 91V  Var_01    C8   C9   N4   C5     58.27  30.0  1
 91V  Var_02    C9   N4   C5   C6    -57.91  30.0  1
 91V  Var_03    N4   C9   C8   C7    -57.00  30.0  1
 91V  Var_04    N4   C5   C6   C7     55.97  30.0  1
 91V  Var_05    C18  C11  C12  C13  -105.81  30.0  2
 91V  Var_06    C23  C18  C11  C12    68.51  30.0  3
 91V  Var_07    C2   C3   N4   C5   -173.12  30.0  3
 91V  Var_08    C1   C24  N25  C26   173.08  30.0  3
 91V  Var_09    N4   C3   C2   C1    166.75  30.0  2
 91V  Var_10    C3   C2   C1   C24   176.05  30.0  1
 91V  Var_11    N25  C24  C1   C2    178.80  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
 91V  chir_01  C7  O10  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
 91V  plan-1  C20  0.020
 91V  plan-1  C21  0.020
 91V  plan-1  C22  0.020
 91V  plan-1  C11  0.020
 91V  plan-1  C18  0.020
 91V  plan-1  C19  0.020
 91V  plan-1  C23  0.020
 91V  plan-1  H11  0.020
 91V  plan-1  H12  0.020
 91V  plan-1  H13  0.020
 91V  plan-1  H29  0.020
 91V  plan-1  H30  0.020
 91V  plan-2  C13  0.020
 91V  plan-2  C15  0.020
 91V  plan-2  C17  0.020
 91V  plan-2  C11  0.020
 91V  plan-2  C12  0.020
 91V  plan-2  C14  0.020
 91V  plan-2  C16  0.020
 91V  plan-2  H8   0.020
 91V  plan-2  H9   0.020
 91V  plan-2  H10  0.020
 91V  plan-2  H27  0.020
 91V  plan-2  H28  0.020
 91V  plan-3  C26  0.020
 91V  plan-3  C28  0.020
 91V  plan-3  N25  0.020
 91V  plan-3  C27  0.020
 91V  plan-3  C29  0.020
 91V  plan-3  N30  0.020
 91V  plan-3  N31  0.020
 91V  plan-3  C32  0.020
 91V  plan-3  N33  0.020
 91V  plan-3  N34  0.020
 91V  plan-3  H16  0.020
 91V  plan-3  H32  0.020
 91V  plan-3  H33  0.020
 91V  plan-4  C24  0.020
 91V  plan-4  C26  0.020
 91V  plan-4  N25  0.020
 91V  plan-4  H31  0.020

