# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon Apr 13 11:16:35 2020
#   Inital geometry file: a 158 line input string
#   Ligand name: 4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)pyridine-3-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN1CCC(CC1)NC(=O)c2ccc(Nc3cc(NCc4ccccc4)c(cn3)C(N)=O)cc2
#
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
 9YV  9YV  4-(benzylamino)-6-({4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)pyridine-3-carboxamide  ligand  64  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 PERFECT
;

data_comp_9YV
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
 9YV  C13  C  CR6   0  -0.054  -3.6046   1.3850  -0.2988
 9YV  C18  C  CH1   0  -0.104  -7.2829   0.4966  -0.4901
 9YV  C16  C  C     0   0.534  -5.0781   1.5816  -0.3904
 9YV  C15  C  CR16  0  -0.305  -1.5784   0.0906  -0.6441
 9YV  C20  C  CH2   0  -0.435  -7.9494   0.8701   0.8348
 9YV  C21  C  CH2   0  -0.285  -7.8075  -0.2389   1.8639
 9YV  C23  C  CH2   0  -0.292  -7.6831  -1.9174   0.1582
 9YV  C24  C  CH2   0  -0.460  -7.7939  -0.8688  -0.9405
 9YV  C11  C  CR16  0  -0.360  -1.4513   2.3038   0.2859
 9YV  C12  C  CR16  0  -0.258  -2.8199   2.4287   0.1921
 9YV  C34  C  CR16  0  -0.290   7.9829   1.3778  -0.3583
 9YV  C33  C  CR16  0  -0.241   9.3570   1.2784  -0.1823
 9YV  C1   C  CR6   0  -0.251   3.4232  -1.7213  -0.8731
 9YV  C2   C  CR16  0  -0.065   2.0684  -1.8711  -1.1161
 9YV  N3   N  N     0  -0.495   1.1241  -0.9809  -0.8544
 9YV  C4   C  CR6   0   0.575   1.5155   0.1674  -0.3053
 9YV  C5   C  CR16  0  -0.557   2.8505   0.4659  -0.0348
 9YV  C6   C  CR6   0   0.505   3.8461  -0.4702  -0.3241
 9YV  N7   N  NH1   0  -0.687   5.1393  -0.2127  -0.0705
 9YV  N9   N  NH1   0  -0.785   0.5769   1.1172   0.0033
 9YV  C10  C  CR6   0   0.373  -0.7987   1.1327  -0.1306
 9YV  C14  C  CR16  0  -0.283  -2.9554   0.2273  -0.7169
 9YV  N17  N  NH1   0  -0.654  -5.8323   0.4687  -0.3850
 9YV  O19  O  O     0  -0.500  -5.5620   2.7060  -0.4678
 9YV  N22  N  NT    0  -0.407  -8.3573  -1.4863   1.3665
 9YV  C25  C  CH3   0  -0.517  -8.3369  -2.5173   2.3777
 9YV  N26  N  NH2   0  -0.813   3.9014  -4.0353  -1.3429
 9YV  O27  O  O     0  -0.508   5.5886  -2.5569  -1.3741
 9YV  C28  C  CH2   0  -0.344   5.6223   1.0514   0.4399
 9YV  C29  C  CR6   0   0.070   7.1093   0.9760   0.6474
 9YV  C30  C  CR16  0  -0.286   7.6319   0.4652   1.8325
 9YV  C31  C  CR16  0  -0.242   9.0044   0.3642   2.0118
 9YV  C32  C  CR16  0  -0.264   9.8701   0.7712   1.0040
 9YV  H1   H  HCH1  0   0.258  -7.5417   1.2410  -1.2454
 9YV  H2   H  HCR6  0   0.291  -1.1135  -0.8157  -0.9923
 9YV  H3   H  HCH2  0   0.243  -7.5308   1.7990   1.2248
 9YV  H4   H  HCH2  0   0.228  -9.0111   1.0530   0.6477
 9YV  H5   H  HCH2  0   0.187  -6.7461  -0.3497   2.1523
 9YV  H6   H  HCH2  0   0.238  -8.3439   0.0400   2.7742
 9YV  H7   H  HCH2  0   0.245  -8.1396  -2.8481  -0.1872
 9YV  H8   H  HCH2  0   0.185  -6.6209  -2.1585   0.3550
 9YV  H9   H  HCH2  0   0.243  -8.8435  -0.7621  -1.2228
 9YV  H10  H  HCH2  0   0.247  -7.2563  -1.2031  -1.8308
 9YV  H11  H  HCR6  0   0.270  -0.8711   3.1270   0.6864
 9YV  H12  H  HCR6  0   0.258  -3.2862   3.3493   0.5167
 9YV  H13  H  HCR6  0   0.255   7.5859   1.7754  -1.2848
 9YV  H14  H  HCR6  0   0.257  10.0255   1.5986  -0.9710
 9YV  H15  H  HCR6  0   0.258   1.7060  -2.7809  -1.5830
 9YV  H16  H  HCR6  0   0.289   3.1069   1.4282   0.3868
 9YV  H17  H  HNH1  0   0.405   5.8055  -0.8779  -0.4360
 9YV  H18  H  HNH1  0   0.416   0.9592   1.9588   0.4068
 9YV  H19  H  HCR6  0   0.252  -3.5138  -0.5982  -1.1418
 9YV  H20  H  HNH1  0   0.398  -5.3893  -0.4137  -0.1854
 9YV  H22  H  HCH3  0   0.232  -8.8909  -2.1886   3.2584
 9YV  H23  H  HCH3  0   0.232  -8.8161  -3.4226   2.0014
 9YV  H24  H  HCH3  0   0.190  -7.3204  -2.7881   2.7045
 9YV  H25  H  HNH2  0   0.405   4.5357  -4.7869  -1.5593
 9YV  H26  H  HNH2  0   0.411   2.9820  -4.2956  -1.0333
 9YV  H27  H  HCH2  0   0.251   5.3835   1.8678  -0.2515
 9YV  H28  H  HCH2  0   0.253   5.1282   1.2828   1.3881
 9YV  H29  H  HCR6  0   0.253   6.9612   0.1508   2.6237
 9YV  H30  H  HCR6  0   0.258   9.3988  -0.0304   2.9391
 9YV  H31  H  HCR6  0   0.258  10.9406   0.6958   1.1451
 9YV  C8   C  C     0   0.519   4.3895  -2.7906  -1.2098

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
 9YV  N26  C8   single    1.344  0.020  1.344
 9YV  C8   O27  double    1.233  0.020  1.233
 9YV  C8   C1   single    1.480  0.020  1.480
 9YV  C2   C1   aromatic  1.384  0.020  1.384
 9YV  C2   N3   aromatic  1.324  0.020  1.324
 9YV  C1   C6   aromatic  1.430  0.020  1.430
 9YV  N3   C4   aromatic  1.332  0.020  1.332
 9YV  C6   N7   single    1.343  0.020  1.343
 9YV  C6   C5   aromatic  1.397  0.020  1.397
 9YV  C4   C5   aromatic  1.394  0.020  1.394
 9YV  C4   N9   single    1.371  0.020  1.371
 9YV  N7   C28  single    1.446  0.020  1.446
 9YV  N9   C10  single    1.382  0.020  1.382
 9YV  C28  C29  single    1.503  0.020  1.503
 9YV  C30  C29  aromatic  1.392  0.020  1.392
 9YV  C30  C31  aromatic  1.388  0.020  1.388
 9YV  C10  C11  aromatic  1.404  0.020  1.404
 9YV  C10  C15  aromatic  1.399  0.020  1.399
 9YV  C11  C12  aromatic  1.377  0.020  1.377
 9YV  C29  C34  aromatic  1.391  0.020  1.391
 9YV  C31  C32  aromatic  1.389  0.020  1.389
 9YV  C15  C14  aromatic  1.386  0.020  1.386
 9YV  C12  C13  aromatic  1.395  0.020  1.395
 9YV  C34  C33  aromatic  1.389  0.020  1.389
 9YV  C32  C33  aromatic  1.388  0.020  1.388
 9YV  C14  C13  aromatic  1.392  0.020  1.392
 9YV  C13  C16  single    1.489  0.020  1.489
 9YV  C16  O19  double    1.226  0.020  1.226
 9YV  C16  N17  single    1.344  0.020  1.344
 9YV  N17  C18  single    1.455  0.020  1.455
 9YV  C21  C20  single    1.520  0.020  1.520
 9YV  C21  N22  single    1.451  0.020  1.451
 9YV  C20  C18  single    1.529  0.020  1.529
 9YV  C18  C24  single    1.526  0.020  1.526
 9YV  C25  N22  single    1.444  0.020  1.444
 9YV  C23  N22  single    1.449  0.020  1.449
 9YV  C23  C24  single    1.523  0.020  1.523
 9YV  C18  H1   single    0.970  0.020  1.090
 9YV  C15  H2   single    0.930  0.020  1.080
 9YV  C20  H3   single    0.970  0.020  1.090
 9YV  C20  H4   single    0.970  0.020  1.090
 9YV  C21  H5   single    0.970  0.020  1.090
 9YV  C21  H6   single    0.970  0.020  1.090
 9YV  C23  H7   single    0.970  0.020  1.090
 9YV  C23  H8   single    0.970  0.020  1.090
 9YV  C24  H9   single    0.970  0.020  1.090
 9YV  C24  H10  single    0.970  0.020  1.090
 9YV  C11  H11  single    0.930  0.020  1.080
 9YV  C12  H12  single    0.930  0.020  1.080
 9YV  C34  H13  single    0.930  0.020  1.080
 9YV  C33  H14  single    0.930  0.020  1.080
 9YV  C2   H15  single    0.930  0.020  1.080
 9YV  C5   H16  single    0.930  0.020  1.080
 9YV  N7   H17  single    0.860  0.020  1.020
 9YV  N9   H18  single    0.860  0.020  1.020
 9YV  C14  H19  single    0.930  0.020  1.080
 9YV  N17  H20  single    0.860  0.020  1.020
 9YV  C25  H22  single    0.970  0.020  1.090
 9YV  C25  H23  single    0.970  0.020  1.090
 9YV  C25  H24  single    0.970  0.020  1.090
 9YV  N26  H25  single    0.860  0.020  1.020
 9YV  N26  H26  single    0.860  0.020  1.020
 9YV  C28  H27  single    0.970  0.020  1.090
 9YV  C28  H28  single    0.970  0.020  1.090
 9YV  C30  H29  single    0.930  0.020  1.080
 9YV  C31  H30  single    0.930  0.020  1.080
 9YV  C32  H31  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
 9YV  C14  C13  C12  117.76  3.000
 9YV  C14  C13  C16  123.56  3.000
 9YV  C12  C13  C16  118.65  3.000
 9YV  H1   C18  N17  107.43  3.000
 9YV  H1   C18  C24  109.06  3.000
 9YV  N17  C18  C24  109.76  3.000
 9YV  H1   C18  C20  109.24  3.000
 9YV  C24  C18  C20  109.17  3.000
 9YV  N17  C18  C20  112.13  3.000
 9YV  O19  C16  N17  122.54  3.000
 9YV  N17  C16  C13  116.45  3.000
 9YV  O19  C16  C13  121.01  3.000
 9YV  H2   C15  C14  119.68  3.000
 9YV  H2   C15  C10  120.34  3.000
 9YV  C14  C15  C10  119.97  3.000
 9YV  H4   C20  H3   106.94  3.000
 9YV  H4   C20  C21  109.18  3.000
 9YV  H3   C20  C21  110.09  3.000
 9YV  H4   C20  C18  108.41  3.000
 9YV  H3   C20  C18  110.52  3.000
 9YV  C21  C20  C18  111.58  3.000
 9YV  H6   C21  H5   106.24  3.000
 9YV  H6   C21  N22  108.60  3.000
 9YV  H5   C21  N22  111.53  3.000
 9YV  H6   C21  C20  109.39  3.000
 9YV  H5   C21  C20  109.84  3.000
 9YV  N22  C21  C20  111.09  3.000
 9YV  H8   C23  H7   105.76  3.000
 9YV  H8   C23  N22  111.29  3.000
 9YV  H7   C23  N22  108.81  3.000
 9YV  H8   C23  C24  110.37  3.000
 9YV  H7   C23  C24  109.15  3.000
 9YV  N22  C23  C24  111.28  3.000
 9YV  H10  C24  H9   106.99  3.000
 9YV  H10  C24  C23  109.97  3.000
 9YV  H9   C24  C23  108.89  3.000
 9YV  H10  C24  C18  110.46  3.000
 9YV  H9   C24  C18  108.10  3.000
 9YV  C23  C24  C18  112.26  3.000
 9YV  H11  C11  C10  119.63  3.000
 9YV  H11  C11  C12  119.22  3.000
 9YV  C10  C11  C12  121.16  3.000
 9YV  H12  C12  C11  119.02  3.000
 9YV  H12  C12  C13  119.98  3.000
 9YV  C11  C12  C13  121.00  3.000
 9YV  H13  C34  C29  119.60  3.000
 9YV  H13  C34  C33  119.81  3.000
 9YV  C29  C34  C33  120.59  3.000
 9YV  H14  C33  C32  120.16  3.000
 9YV  H14  C33  C34  119.84  3.000
 9YV  C32  C33  C34  120.00  3.000
 9YV  C8   C1   C6   121.75  3.000
 9YV  C6   C1   C2   116.83  3.000
 9YV  C8   C1   C2   121.38  3.000
 9YV  H15  C2   N3   114.25  3.000
 9YV  H15  C2   C1   119.55  3.000
 9YV  N3   C2   C1   126.19  3.000
 9YV  C4   N3   C2   116.85  3.000
 9YV  N9   C4   C5   117.62  3.000
 9YV  N9   C4   N3   119.28  3.000
 9YV  C5   C4   N3   123.09  3.000
 9YV  H16  C5   C6   120.54  3.000
 9YV  H16  C5   C4   119.54  3.000
 9YV  C6   C5   C4   119.92  3.000
 9YV  N7   C6   C5   121.26  3.000
 9YV  C5   C6   C1   117.06  3.000
 9YV  N7   C6   C1   121.67  3.000
 9YV  H17  N7   C28  118.89  3.000
 9YV  H17  N7   C6   116.15  3.000
 9YV  C28  N7   C6   123.77  3.000
 9YV  H18  N9   C10  113.99  3.000
 9YV  H18  N9   C4   114.13  3.000
 9YV  C10  N9   C4   131.88  3.000
 9YV  N9   C10  C11  116.32  3.000
 9YV  C11  C10  C15  118.11  3.000
 9YV  N9   C10  C15  125.58  3.000
 9YV  H19  C14  C15  117.23  3.000
 9YV  H19  C14  C13  120.75  3.000
 9YV  C15  C14  C13  122.00  3.000
 9YV  H20  N17  C16  118.64  3.000
 9YV  H20  N17  C18  118.01  3.000
 9YV  C16  N17  C18  122.90  3.000
 9YV  C25  N22  C23  111.40  3.000
 9YV  C23  N22  C21  111.42  3.000
 9YV  C25  N22  C21  111.61  3.000
 9YV  H24  C25  H23  107.67  3.000
 9YV  H24  C25  H22  107.64  3.000
 9YV  H23  C25  H22  107.77  3.000
 9YV  H24  C25  N22  113.35  3.000
 9YV  H23  C25  N22  110.16  3.000
 9YV  H22  C25  N22  110.06  3.000
 9YV  H26  N26  H25  116.71  3.000
 9YV  H26  N26  C8   122.83  3.000
 9YV  H25  N26  C8   118.94  3.000
 9YV  H28  C28  H27  106.90  3.000
 9YV  H28  C28  C29  109.74  3.000
 9YV  H27  C28  C29  109.87  3.000
 9YV  H28  C28  N7   109.87  3.000
 9YV  H27  C28  N7   110.83  3.000
 9YV  C29  C28  N7   109.59  3.000
 9YV  C30  C29  C28  120.48  3.000
 9YV  C30  C29  C34  119.04  3.000
 9YV  C28  C29  C34  120.45  3.000
 9YV  H29  C30  C31  119.77  3.000
 9YV  H29  C30  C29  119.70  3.000
 9YV  C31  C30  C29  120.52  3.000
 9YV  H30  C31  C32  120.08  3.000
 9YV  H30  C31  C30  119.84  3.000
 9YV  C32  C31  C30  120.08  3.000
 9YV  H31  C32  C31  120.08  3.000
 9YV  H31  C32  C33  120.15  3.000
 9YV  C31  C32  C33  119.77  3.000
 9YV  O27  C8   N26  121.06  3.000
 9YV  O27  C8   C1   121.90  3.000
 9YV  N26  C8   C1   117.04  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
 9YV  CONST_01  C10  C11  C12  C13    0.00   0.0  0
 9YV  CONST_02  C10  C15  C14  C13    0.00   0.0  0
 9YV  CONST_03  C12  C11  C10  C15    0.00   0.0  0
 9YV  CONST_04  C12  C13  C14  C15    0.00   0.0  0
 9YV  CONST_05  C14  C15  C10  C11    0.00   0.0  0
 9YV  CONST_06  C14  C13  C12  C11    0.00   0.0  0
 9YV  CONST_07  C31  C30  C29  C34    0.00   0.0  0
 9YV  CONST_08  C31  C32  C33  C34    0.00   0.0  0
 9YV  CONST_09  C30  C29  C34  C33    0.00   0.0  0
 9YV  CONST_10  C30  C31  C32  C33    0.00   0.0  0
 9YV  CONST_11  C4   N3   C2   C1     0.00   0.0  0
 9YV  CONST_12  C4   C5   C6   C1     0.00   0.0  0
 9YV  CONST_13  C5   C6   C1   C2     0.00   0.0  0
 9YV  CONST_14  C5   C4   N3   C2     0.00   0.0  0
 9YV  CONST_15  C6   C1   C2   N3     0.00   0.0  0
 9YV  CONST_16  C6   C5   C4   N3     0.00   0.0  0
 9YV  CONST_17  C32  C31  C30  C29    0.00   0.0  0
 9YV  CONST_18  C32  C33  C34  C29    0.00   0.0  0
 9YV  CONST_19  C11  C12  C13  C16  180.00   0.0  0
 9YV  CONST_20  C15  C14  C13  C16  180.00   0.0  0
 9YV  CONST_21  N9   C10  C11  C12  180.00   0.0  0
 9YV  CONST_22  C28  C29  C34  C33  180.00   0.0  0
 9YV  CONST_23  N7   C6   C1   C2   180.00   0.0  0
 9YV  CONST_24  N9   C4   N3   C2   180.00   0.0  0
 9YV  CONST_25  C8   C1   C2   N3   180.00   0.0  0
 9YV  CONST_26  N7   C6   C5   C4   180.00   0.0  0
 9YV  CONST_27  C8   C1   C6   C5   180.00   0.0  0
 9YV  CONST_28  N9   C4   C5   C6   180.00   0.0  0
 9YV  CONST_29  C14  C15  C10  N9   180.00   0.0  0
 9YV  CONST_30  C31  C30  C29  C28  180.00   0.0  0
 9YV  CONST_31  H11  C11  C12  C13  180.00   0.0  0
 9YV  CONST_32  H2   C15  C14  C13  180.00   0.0  0
 9YV  CONST_33  H19  C14  C13  C12  180.00   0.0  0
 9YV  CONST_34  H29  C30  C29  C34  180.00   0.0  0
 9YV  CONST_35  H31  C32  C33  C34  180.00   0.0  0
 9YV  CONST_36  H30  C31  C32  C33  180.00   0.0  0
 9YV  CONST_37  H16  C5   C6   C1   180.00   0.0  0
 9YV  CONST_38  H15  C2   N3   C4   180.00   0.0  0
 9YV  CONST_39  H12  C12  C11  C10  180.00   0.0  0
 9YV  CONST_40  H14  C33  C34  C29  180.00   0.0  0
 9YV  CONST_41  H13  C34  C29  C30  180.00   0.0  0
 9YV  CONST_42  C18  N17  C16  C13  180.00   0.0  0
 9YV  CONST_43  C28  N7   C6   C1   180.00   0.0  0
 9YV  CONST_44  C28  N7   C6   C5     0.00   0.0  0
 9YV  CONST_45  H17  N7   C6   C1     0.00   0.0  0
 9YV  CONST_46  O19  C16  N17  C18    0.00   0.0  0
 9YV  CONST_47  H20  N17  C16  C13    0.00   0.0  0
 9YV  CONST_48  H25  N26  C8   C1   180.00   0.0  0
 9YV  CONST_49  H26  N26  C8   C1     0.00   0.0  0
 9YV  Var_01    N22  C21  C20  C18  -56.88  30.0  1
 9YV  Var_02    N22  C23  C24  C18   55.06  30.0  1
 9YV  Var_03    C23  N22  C21  C20   59.91  30.0  1
 9YV  Var_04    C24  C23  N22  C21  -58.79  30.0  1
 9YV  Var_05    C4   N9   C10  C15    0.47  30.0  2
 9YV  Var_06    C10  N9   C4   N3     0.90  30.0  2
 9YV  Var_07    O19  C16  C13  C12   23.70  30.0  2
 9YV  Var_08    N7   C28  C29  C34   92.62  30.0  2
 9YV  Var_09    N26  C8   C1   C2   -21.00  30.0  2
 9YV  Var_10    C29  C28  N7   C6   178.18  30.0  3
 9YV  Var_11    H22  C25  N22  C21   57.48  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
 9YV  chir_01  C18  N17  C20  C24  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
 9YV  plan-1  C1   0.020
 9YV  plan-1  C2   0.020
 9YV  plan-1  N3   0.020
 9YV  plan-1  C4   0.020
 9YV  plan-1  C5   0.020
 9YV  plan-1  C6   0.020
 9YV  plan-1  N7   0.020
 9YV  plan-1  N9   0.020
 9YV  plan-1  H15  0.020
 9YV  plan-1  H16  0.020
 9YV  plan-1  C8   0.020
 9YV  plan-2  C13  0.020
 9YV  plan-2  C16  0.020
 9YV  plan-2  C15  0.020
 9YV  plan-2  C11  0.020
 9YV  plan-2  C12  0.020
 9YV  plan-2  N9   0.020
 9YV  plan-2  C10  0.020
 9YV  plan-2  C14  0.020
 9YV  plan-2  H2   0.020
 9YV  plan-2  H11  0.020
 9YV  plan-2  H12  0.020
 9YV  plan-2  H19  0.020
 9YV  plan-3  C34  0.020
 9YV  plan-3  C33  0.020
 9YV  plan-3  C28  0.020
 9YV  plan-3  C29  0.020
 9YV  plan-3  C30  0.020
 9YV  plan-3  C31  0.020
 9YV  plan-3  C32  0.020
 9YV  plan-3  H13  0.020
 9YV  plan-3  H14  0.020
 9YV  plan-3  H29  0.020
 9YV  plan-3  H30  0.020
 9YV  plan-3  H31  0.020
 9YV  plan-4  C1   0.020
 9YV  plan-4  N26  0.020
 9YV  plan-4  O27  0.020
 9YV  plan-4  H25  0.020
 9YV  plan-4  H26  0.020
 9YV  plan-4  C8   0.020
 9YV  plan-5  C6   0.020
 9YV  plan-5  N7   0.020
 9YV  plan-5  C28  0.020
 9YV  plan-5  H17  0.020
 9YV  plan-6  C13  0.020
 9YV  plan-6  C18  0.020
 9YV  plan-6  C16  0.020
 9YV  plan-6  N17  0.020
 9YV  plan-6  O19  0.020
 9YV  plan-6  H20  0.020

