# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat May  2 02:03:48 2020
#   Inital geometry file: a 153 line input string
#   Ligand name: 3-chloro-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n3c4cc(F)c(F)cc4nc3c5ccc(Cl)cc5)c(Cl)c1
#
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
 9L4  9L4  '3-chloro-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid'  ligand  61  38  .  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_9L4
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
 9L4  N1    N   NR5   0  -0.554   1.9740  -0.4708   0.1940
 9L4  N3    N   N     0  -0.455   2.4776  -2.6049  -0.2404
 9L4  C4    C   CR56  0   0.354   3.0024  -0.4448  -0.7226
 9L4  C5    C   CR56  0   0.134   3.3088  -1.7920  -0.9630
 9L4  C6    C   C     0   0.587   0.1236   0.9142  -0.4872
 9L4  C7    C   CH1   0  -0.232   1.1253   0.6265   0.6322
 9L4  C8    C   CR16  0  -0.455   3.6966   0.5861  -1.3512
 9L4  C10   C   CR16  0  -0.490   4.3390  -2.1498  -1.8331
 9L4  C15   C   CR6   0   0.385   5.0242  -1.1309  -2.4425
 9L4  C17   C   CR6   0  -0.121  -3.4866   0.1355  -0.4873
 9L4  C21   C   CR16  0  -0.302  -2.3594   1.4594  -2.1360
 9L4  C22   C   CR16  0  -0.241  -3.5381   1.5418  -2.8515
 9L4  C24   C   CR16  0  -0.275  -0.3477  -3.1228   0.7678
 9L4  O20   O   OH1   0  -0.593  -6.9804   0.4575  -2.6455
 9L4  O29   O   O     0  -0.435  -5.9909   1.6414  -4.2566
 9L4  C16   C   CR6   0  -0.102  -4.7004   0.9291  -2.3969
 9L4  C12   C   CR6   0   0.466  -2.3079   0.7503  -0.9342
 9L4  O19   O   O     0  -0.422   0.4934   1.3216  -1.5664
 9L4  C23   C   CH1   0  -0.285   1.8592   1.8984   1.0658
 9L4  C34   C   CH2   0  -0.422   0.8570   2.8304   1.7553
 9L4  C37   C   CH2   0  -0.434   1.5249   4.1146   2.2334
 9L4  C38   C   CH2   0  -0.432   2.7041   3.8175   3.1521
 9L4  C36   C   CH2   0  -0.432   3.6988   2.8820   2.4750
 9L4  C35   C   CH2   0  -0.427   3.0306   1.5953   1.9994
 9L4  C2    C   CR5   0   0.450   1.7014  -1.7997   0.4240
 9L4  F27   F   F     0  -0.311   6.0235  -1.3986  -3.2928
 9L4  C11   C   CR6   0   0.403   4.7057   0.2104  -2.2041
 9L4  F26   F   F     0  -0.309   5.4159   1.1481  -2.8424
 9L4  C14   C   CR6   0  -0.029   0.6110  -2.2611   1.2948
 9L4  C32   C   CR16  0  -0.190  -1.3961  -3.5765   1.5506
 9L4  C30   C   CR6   0  -0.043  -1.4797  -3.1651   2.8713
 9L4  CL33  CL  CL    0  -0.114  -2.8022  -3.7040   3.8460
 9L4  C31   C   CR16  0  -0.195  -0.5260  -2.3237   3.4240
 9L4  C25   C   CR16  0  -0.297   0.5201  -1.8789   2.6324
 9L4  C18   C   CR16  0  -0.213  -4.6652   0.2217  -1.1991
 9L4  H1    H   HCH1  0   0.284   0.6036   0.2638   1.5179
 9L4  H2    H   HCR6  0   0.300   3.4787   1.6339  -1.2085
 9L4  H3    H   HCR6  0   0.293   4.5885  -3.1852  -2.0231
 9L4  H4    H   HCR6  0   0.300  -1.4809   1.9550  -2.5138
 9L4  H5    H   HCR6  0   0.277  -3.5471   2.1019  -3.7764
 9L4  H6    H   HCR6  0   0.274  -0.2856  -3.4308  -0.2672
 9L4  H7    H   HOH1  0   0.491  -7.7634   0.5663  -3.2055
 9L4  H8    H   HNH1  0   0.408  -1.3138   0.2711   0.7758
 9L4  H9    H   HCH1  0   0.254   2.2370   2.4203   0.1812
 9L4  H10   H   HCH2  0   0.246   0.0263   3.0752   1.0872
 9L4  H11   H   HCH2  0   0.222   0.4221   2.3081   2.6156
 9L4  H12   H   HCH2  0   0.217   1.8725   4.6871   1.3668
 9L4  H13   H   HCH2  0   0.236   0.7897   4.7397   2.7444
 9L4  H14   H   HCH2  0   0.232   3.1978   4.7467   3.4461
 9L4  H15   H   HCH2  0   0.213   2.3398   3.3529   4.0746
 9L4  H16   H   HCH2  0   0.216   4.1474   3.3904   1.6145
 9L4  H17   H   HCH2  0   0.235   4.5196   2.6400   3.1534
 9L4  H18   H   HCH2  0   0.223   2.6672   1.0282   2.8653
 9L4  H19   H   HCH2  0   0.247   3.7708   0.9649   1.5024
 9L4  H20   H   HCR6  0   0.289  -2.1438  -4.2340   1.1290
 9L4  H21   H   HCR6  0   0.291  -0.5904  -2.0191   4.4592
 9L4  H22   H   HCR6  0   0.287   1.2745  -1.2401   3.0754
 9L4  H23   H   HCR6  0   0.294  -5.5460  -0.2708  -0.8122
 9L4  N9    N   NH1   0  -0.748  -1.1648   0.6388  -0.1525
 9L4  CL28  CL  CL    0  -0.091  -3.4781  -0.7681   0.9921
 9L4  C13   C   C     0   0.541  -5.9376   1.0545  -3.2028

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
 9L4  O29   C13   double    1.207  0.020  1.207
 9L4  C13   O20   single    1.325  0.020  1.325
 9L4  C13   C16   single    1.482  0.020  1.482
 9L4  C16   C22   aromatic  1.390  0.020  1.390
 9L4  C16   C18   aromatic  1.392  0.020  1.392
 9L4  C22   C21   aromatic  1.381  0.020  1.381
 9L4  C18   C17   aromatic  1.380  0.020  1.380
 9L4  C31   C25   aromatic  1.385  0.020  1.385
 9L4  C31   C30   aromatic  1.387  0.020  1.387
 9L4  C21   C12   aromatic  1.396  0.020  1.396
 9L4  C17   C12   aromatic  1.402  0.020  1.402
 9L4  C17   CL28  single    1.734  0.020  1.734
 9L4  C25   C14   aromatic  1.394  0.020  1.394
 9L4  N3    C5    aromatic  1.369  0.020  1.369
 9L4  N3    C2    aromatic  1.301  0.020  1.301
 9L4  CL33  C30   single    1.729  0.020  1.729
 9L4  C10   C5    aromatic  1.395  0.020  1.395
 9L4  C10   C15   aromatic  1.371  0.020  1.371
 9L4  C12   N9    single    1.389  0.020  1.389
 9L4  C30   C32   aromatic  1.386  0.020  1.386
 9L4  F27   C15   single    1.339  0.020  1.339
 9L4  C5    C4    aromatic  1.402  0.020  1.402
 9L4  C14   C2    single    1.470  0.020  1.470
 9L4  C14   C24   aromatic  1.393  0.020  1.393
 9L4  N9    C6    single    1.359  0.020  1.359
 9L4  C2    N1    aromatic  1.376  0.020  1.376
 9L4  C15   C11   aromatic  1.399  0.020  1.399
 9L4  C32   C24   aromatic  1.385  0.020  1.385
 9L4  C4    N1    aromatic  1.378  0.020  1.378
 9L4  C4    C8    aromatic  1.393  0.020  1.393
 9L4  N1    C7    single    1.455  0.020  1.455
 9L4  C11   C8    aromatic  1.374  0.020  1.374
 9L4  C11   F26   single    1.338  0.020  1.338
 9L4  C6    C7    single    1.529  0.020  1.529
 9L4  C6    O19   double    1.211  0.020  1.211
 9L4  C7    C23   single    1.531  0.020  1.531
 9L4  C23   C35   single    1.528  0.020  1.528
 9L4  C23   C34   single    1.532  0.020  1.532
 9L4  C35   C36   single    1.526  0.020  1.526
 9L4  C34   C37   single    1.524  0.020  1.524
 9L4  C36   C38   single    1.524  0.020  1.524
 9L4  C37   C38   single    1.524  0.020  1.524
 9L4  C7    H1    single    0.970  0.020  1.090
 9L4  C8    H2    single    0.930  0.020  1.080
 9L4  C10   H3    single    0.930  0.020  1.080
 9L4  C21   H4    single    0.930  0.020  1.080
 9L4  C22   H5    single    0.930  0.020  1.080
 9L4  C24   H6    single    0.930  0.020  1.080
 9L4  O20   H7    single    0.850  0.020  0.980
 9L4  N9    H8    single    0.860  0.020  1.020
 9L4  C23   H9    single    0.970  0.020  1.090
 9L4  C34   H10   single    0.970  0.020  1.090
 9L4  C34   H11   single    0.970  0.020  1.090
 9L4  C37   H12   single    0.970  0.020  1.090
 9L4  C37   H13   single    0.970  0.020  1.090
 9L4  C38   H14   single    0.970  0.020  1.090
 9L4  C38   H15   single    0.970  0.020  1.090
 9L4  C36   H16   single    0.970  0.020  1.090
 9L4  C36   H17   single    0.970  0.020  1.090
 9L4  C35   H18   single    0.970  0.020  1.090
 9L4  C35   H19   single    0.970  0.020  1.090
 9L4  C32   H20   single    0.930  0.020  1.080
 9L4  C31   H21   single    0.930  0.020  1.080
 9L4  C25   H22   single    0.930  0.020  1.080
 9L4  C18   H23   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
 9L4  C2    N1   C7    124.23  3.000
 9L4  C7    N1   C4    128.43  3.000
 9L4  C2    N1   C4    106.10  3.000
 9L4  C2    N3   C5    105.33  3.000
 9L4  C8    C4   C5    121.66  3.000
 9L4  C8    C4   N1    133.33  3.000
 9L4  C5    C4   N1    105.01  3.000
 9L4  C10   C5   C4    120.97  3.000
 9L4  C4    C5   N3    110.33  3.000
 9L4  C10   C5   N3    128.70  3.000
 9L4  O19   C6   N9    125.23  3.000
 9L4  O19   C6   C7    121.03  3.000
 9L4  N9    C6   C7    113.73  3.000
 9L4  H1    C7   C23   106.00  3.000
 9L4  H1    C7   C6    110.11  3.000
 9L4  C23   C7   C6    111.40  3.000
 9L4  H1    C7   N1    105.85  3.000
 9L4  C23   C7   N1    115.61  3.000
 9L4  C6    C7   N1    107.67  3.000
 9L4  H2    C8   C11   119.73  3.000
 9L4  H2    C8   C4    123.92  3.000
 9L4  C11   C8   C4    116.35  3.000
 9L4  H3    C10  C15   121.21  3.000
 9L4  H3    C10  C5    121.68  3.000
 9L4  C15   C10  C5    117.11  3.000
 9L4  C11   C15  F27   118.02  3.000
 9L4  C11   C15  C10   121.54  3.000
 9L4  F27   C15  C10   120.44  3.000
 9L4  C18   C17  CL28  118.49  3.000
 9L4  CL28  C17  C12   119.76  3.000
 9L4  C18   C17  C12   121.75  3.000
 9L4  H4    C21  C12   120.36  3.000
 9L4  H4    C21  C22   119.13  3.000
 9L4  C12   C21  C22   120.50  3.000
 9L4  H5    C22  C16   120.06  3.000
 9L4  H5    C22  C21   118.76  3.000
 9L4  C16   C22  C21   121.18  3.000
 9L4  H6    C24  C32   119.41  3.000
 9L4  H6    C24  C14   119.92  3.000
 9L4  C32   C24  C14   120.67  3.000
 9L4  H7    O20  C13   110.03  3.000
 9L4  C18   C16  C22   118.97  3.000
 9L4  C18   C16  C13   122.16  3.000
 9L4  C22   C16  C13   118.87  3.000
 9L4  N9    C12  C21   123.73  3.000
 9L4  N9    C12  C17   118.49  3.000
 9L4  C21   C12  C17   117.77  3.000
 9L4  H9    C23  C35   108.89  3.000
 9L4  H9    C23  C34   107.42  3.000
 9L4  C35   C23  C34   110.30  3.000
 9L4  H9    C23  C7    109.43  3.000
 9L4  C34   C23  C7    108.61  3.000
 9L4  C35   C23  C7    112.06  3.000
 9L4  H11   C34  H10   106.54  3.000
 9L4  H11   C34  C37   109.21  3.000
 9L4  H10   C34  C37   109.62  3.000
 9L4  H11   C34  C23   108.83  3.000
 9L4  H10   C34  C23   110.97  3.000
 9L4  C37   C34  C23   111.52  3.000
 9L4  H13   C37  H12   106.54  3.000
 9L4  H13   C37  C38   110.51  3.000
 9L4  H12   C37  C38   109.47  3.000
 9L4  H13   C37  C34   109.51  3.000
 9L4  H12   C37  C34   109.35  3.000
 9L4  C38   C37  C34   111.34  3.000
 9L4  H15   C38  H14   106.52  3.000
 9L4  H15   C38  C36   109.32  3.000
 9L4  H14   C38  C36   110.29  3.000
 9L4  H15   C38  C37   109.45  3.000
 9L4  H14   C38  C37   110.25  3.000
 9L4  C36   C38  C37   110.90  3.000
 9L4  H17   C36  H16   106.44  3.000
 9L4  H17   C36  C35   109.63  3.000
 9L4  H16   C36  C35   109.02  3.000
 9L4  H17   C36  C38   110.53  3.000
 9L4  H16   C36  C38   109.35  3.000
 9L4  C35   C36  C38   111.73  3.000
 9L4  H19   C35  H18   106.58  3.000
 9L4  H19   C35  C36   109.38  3.000
 9L4  H18   C35  C36   109.57  3.000
 9L4  H19   C35  C23   110.85  3.000
 9L4  H18   C35  C23   109.32  3.000
 9L4  C36   C35  C23   111.03  3.000
 9L4  C14   C2   N3    123.43  3.000
 9L4  C14   C2   N1    123.31  3.000
 9L4  N3    C2   N1    113.22  3.000
 9L4  F26   C11  C15   118.01  3.000
 9L4  F26   C11  C8    119.62  3.000
 9L4  C15   C11  C8    122.37  3.000
 9L4  C25   C14  C2    122.06  3.000
 9L4  C2    C14  C24   118.74  3.000
 9L4  C25   C14  C24   119.20  3.000
 9L4  H20   C32  C30   120.69  3.000
 9L4  H20   C32  C24   120.16  3.000
 9L4  C30   C32  C24   119.15  3.000
 9L4  C31   C30  CL33  119.37  3.000
 9L4  CL33  C30  C32   119.39  3.000
 9L4  C31   C30  C32   121.23  3.000
 9L4  H21   C31  C25   120.11  3.000
 9L4  H21   C31  C30   120.78  3.000
 9L4  C25   C31  C30   119.11  3.000
 9L4  H22   C25  C31   118.79  3.000
 9L4  H22   C25  C14   120.57  3.000
 9L4  C31   C25  C14   120.63  3.000
 9L4  H23   C18  C16   121.28  3.000
 9L4  H23   C18  C17   118.88  3.000
 9L4  C16   C18  C17   119.83  3.000
 9L4  H8    N9   C12   115.16  3.000
 9L4  H8    N9   C6    116.11  3.000
 9L4  C12   N9   C6    128.68  3.000
 9L4  C16   C13  O29   123.55  3.000
 9L4  C16   C13  O20   112.97  3.000
 9L4  O29   C13  O20   123.48  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
 9L4  CONST_01  C5    N3   C2   N1      0.00   0.0  0
 9L4  CONST_04  N3    C5   C4   N1      0.00   0.0  0
 9L4  CONST_05  C10   C5   C4   N1    180.00   0.0  0
 9L4  CONST_06  C11   C8   C4   N1    180.00   0.0  0
 9L4  CONST_07  C15   C10  C5   N3    180.00   0.0  0
 9L4  CONST_08  C8    C4   C5   N3    180.00   0.0  0
 9L4  CONST_11  C4    N1   C2   N3      0.00   0.0  0
 9L4  CONST_12  C2    N3   C5   C4      0.00   0.0  0
 9L4  CONST_13  C15   C10  C5   C4      0.00   0.0  0
 9L4  CONST_14  C14   C2   N1   C4    180.00   0.0  0
 9L4  CONST_15  C15   C11  C8   C4      0.00   0.0  0
 9L4  CONST_16  C14   C2   N3   C5    180.00   0.0  0
 9L4  CONST_17  C11   C15  C10  C5      0.00   0.0  0
 9L4  CONST_18  C2    N1   C4   C5      0.00   0.0  0
 9L4  CONST_19  C11   C8   C4   C5      0.00   0.0  0
 9L4  CONST_20  C10   C5   C4   C8      0.00   0.0  0
 9L4  CONST_21  C2    N1   C4   C8    180.00   0.0  0
 9L4  CONST_22  C10   C15  C11  C8      0.00   0.0  0
 9L4  CONST_23  C2    N3   C5   C10   180.00   0.0  0
 9L4  CONST_24  C22   C16  C18  C17     0.00   0.0  0
 9L4  CONST_25  C22   C21  C12  C17     0.00   0.0  0
 9L4  CONST_26  C18   C16  C22  C21     0.00   0.0  0
 9L4  CONST_27  C18   C17  C12  C21     0.00   0.0  0
 9L4  CONST_28  C31   C25  C14  C24     0.00   0.0  0
 9L4  CONST_29  C31   C30  C32  C24     0.00   0.0  0
 9L4  CONST_30  C12   C21  C22  C16     0.00   0.0  0
 9L4  CONST_31  C12   C17  C18  C16     0.00   0.0  0
 9L4  CONST_32  C31   C25  C14  C2    180.00   0.0  0
 9L4  CONST_33  C32   C24  C14  C2    180.00   0.0  0
 9L4  CONST_34  C30   C31  C25  C14     0.00   0.0  0
 9L4  CONST_35  C30   C32  C24  C14     0.00   0.0  0
 9L4  CONST_36  C25   C31  C30  C32     0.00   0.0  0
 9L4  CONST_37  C25   C14  C24  C32     0.00   0.0  0
 9L4  CONST_38  C7    N1   C2   N3    180.00   0.0  0
 9L4  CONST_39  F26   C11  C8   C4    180.00   0.0  0
 9L4  CONST_40  F27   C15  C10  C5    180.00   0.0  0
 9L4  CONST_41  C7    N1   C4   C5    180.00   0.0  0
 9L4  CONST_42  C14   C2   N1   C7      0.00   0.0  0
 9L4  CONST_43  C8    C4   N1   C7      0.00   0.0  0
 9L4  CONST_44  F27   C15  C11  C8    180.00   0.0  0
 9L4  CONST_45  F26   C11  C15  C10   180.00   0.0  0
 9L4  CONST_46  C21   C22  C16  C13   180.00   0.0  0
 9L4  CONST_47  C17   C18  C16  C13   180.00   0.0  0
 9L4  CONST_48  CL28  C17  C12  C21   180.00   0.0  0
 9L4  CONST_49  N9    C12  C21  C22   180.00   0.0  0
 9L4  CONST_50  CL33  C30  C32  C24   180.00   0.0  0
 9L4  CONST_51  CL28  C17  C18  C16   180.00   0.0  0
 9L4  CONST_52  C18   C17  C12  N9    180.00   0.0  0
 9L4  CONST_53  C25   C31  C30  CL33  180.00   0.0  0
 9L4  CONST_54  H2    C8   C4   N1      0.00   0.0  0
 9L4  CONST_55  H3    C10  C5   N3      0.00   0.0  0
 9L4  CONST_56  H4    C21  C12  C17   180.00   0.0  0
 9L4  CONST_57  H23   C18  C16  C22   180.00   0.0  0
 9L4  CONST_58  H22   C25  C14  C24   180.00   0.0  0
 9L4  CONST_59  H5    C22  C21  C12   180.00   0.0  0
 9L4  CONST_60  H6    C24  C14  C2      0.00   0.0  0
 9L4  CONST_61  H21   C31  C25  C14   180.00   0.0  0
 9L4  CONST_62  H20   C32  C24  C14   180.00   0.0  0
 9L4  CONST_64  C17   C12  N9   C6    180.00   0.0  0
 9L4  CONST_65  H8    N9   C12  C17     0.00   0.0  0
 9L4  CONST_66  C12   N9   C6   C7    180.00   0.0  0
 9L4  CONST_67  O19   C6   N9   C12     0.00   0.0  0
 9L4  CONST_68  H7    O20  C13  C16   180.00   0.0  0
 9L4  Var_01    C38   C36  C35  C23    56.12  30.0  1
 9L4  Var_02    C38   C37  C34  C23   -55.82  30.0  1
 9L4  Var_03    C36   C38  C37  C34    54.91  30.0  1
 9L4  Var_04    C35   C36  C38  C37   -55.27  30.0  1
 9L4  Var_05    O29   C13  C16  C22     1.55  30.0  2

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
 9L4  chir_01  C7   N1   C6   C23  positiv
 9L4  chir_02  C23  C34  C35  C7   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
 9L4  plan-1  C17   0.020
 9L4  plan-1  C21   0.020
 9L4  plan-1  C22   0.020
 9L4  plan-1  C16   0.020
 9L4  plan-1  C12   0.020
 9L4  plan-1  C18   0.020
 9L4  plan-1  H4    0.020
 9L4  plan-1  H5    0.020
 9L4  plan-1  H23   0.020
 9L4  plan-1  N9    0.020
 9L4  plan-1  CL28  0.020
 9L4  plan-1  C13   0.020
 9L4  plan-2  C24   0.020
 9L4  plan-2  C2    0.020
 9L4  plan-2  C14   0.020
 9L4  plan-2  C32   0.020
 9L4  plan-2  C30   0.020
 9L4  plan-2  CL33  0.020
 9L4  plan-2  C31   0.020
 9L4  plan-2  C25   0.020
 9L4  plan-2  H6    0.020
 9L4  plan-2  H20   0.020
 9L4  plan-2  H21   0.020
 9L4  plan-2  H22   0.020
 9L4  plan-3  N1    0.020
 9L4  plan-3  N3    0.020
 9L4  plan-3  C4    0.020
 9L4  plan-3  C5    0.020
 9L4  plan-3  C7    0.020
 9L4  plan-3  C8    0.020
 9L4  plan-3  C10   0.020
 9L4  plan-3  C15   0.020
 9L4  plan-3  C2    0.020
 9L4  plan-3  F27   0.020
 9L4  plan-3  C11   0.020
 9L4  plan-3  F26   0.020
 9L4  plan-3  C14   0.020
 9L4  plan-3  H2    0.020
 9L4  plan-3  H3    0.020
 9L4  plan-4  C6    0.020
 9L4  plan-4  C7    0.020
 9L4  plan-4  C12   0.020
 9L4  plan-4  O19   0.020
 9L4  plan-4  H8    0.020
 9L4  plan-4  N9    0.020
 9L4  plan-5  O20   0.020
 9L4  plan-5  O29   0.020
 9L4  plan-5  C16   0.020
 9L4  plan-5  H7    0.020
 9L4  plan-5  C13   0.020

