# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Jul 31 21:28:20 2021
#   Inital geometry file: a 148 line input string
#   Ligand name: 4-{2-amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-L-phenylalanine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: N[C@@H](Cc1ccc(cc1)c2cc(O[C@H](c3ccc(cc3)c4cccc(F)c4)C(F)(F)F)nc(N)n2)C(O)=O
#
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
 ML0  ML0  4-{2-amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-L-phenylalanine  ligand  60  38  .  2022-07-25  2022-11-17
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_ML0
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
 ML0  O38   O  OH1   0  -0.576  16.0369   6.5803  18.6947
 ML0  C36   C  C     0   0.539  15.1252   6.2298  17.8030
 ML0  O37   O  O     0  -0.454  15.0751   6.6921  16.6887
 ML0  C34   C  CH1   0  -0.191  14.1314   5.1978  18.3009
 ML0  N35   N  NH2   0  -0.795  14.4981   4.6481  19.5872
 ML0  C33   C  CH2   0  -0.514  12.7510   5.8777  18.3900
 ML0  C30   C  CR6   0   0.096  11.6729   4.8978  18.7548
 ML0  C29   C  CR16  0  -0.287  11.1413   4.8519  20.0401
 ML0  C28   C  CR16  0  -0.308  10.1709   3.9215  20.3794
 ML0  C31   C  CR16  0  -0.277  11.1976   3.9855  17.8138
 ML0  C32   C  CR16  0  -0.261  10.2276   3.0575  18.1470
 ML0  C27   C  CR6   0   0.042   9.7026   3.0043  19.4400
 ML0  C22   C  CR6   0   0.307   8.6803   1.9912  19.7796
 ML0  C21   C  CR16  0  -0.493   8.3399   1.7048  21.0932
 ML0  N23   N  N     0  -0.506   8.1141   1.3535  18.7548
 ML0  C24   C  CR6   0   0.554   7.2081   0.4226  19.0364
 ML0  N26   N  NH2   0  -0.820   6.6127  -0.2041  18.0069
 ML0  N25   N  N     0  -0.497   6.8109   0.0714  20.2675
 ML0  C20   C  CR6   0   0.597   7.3759   0.7131  21.2579
 ML0  O16   O  O2    0  -0.492   7.0258   0.4054  22.5126
 ML0  C14   C  CH1   0  -0.235   6.0292  -0.5783  22.6984
 ML0  C15   C  CT    0   1.014   6.1740  -0.9986  24.1554
 ML0  F19   F  F     0  -0.301   7.3830  -1.5091  24.4027
 ML0  F18   F  F     0  -0.300   5.9945   0.0197  25.0007
 ML0  F17   F  F     0  -0.300   5.2707  -1.9351  24.4558
 ML0  C11   C  CR6   0   0.067   4.6432  -0.0664  22.4096
 ML0  C10   C  CR16  0  -0.268   4.2785   1.2419  22.7070
 ML0  C9    C  CR16  0  -0.294   2.9935   1.6858  22.4409
 ML0  C12   C  CR16  0  -0.269   3.7018  -0.9184  21.8467
 ML0  C13   C  CR16  0  -0.295   2.4147  -0.4770  21.5909
 ML0  C8    C  CR6   0   0.082   2.0397   0.8344  21.8832
 ML0  C3    C  CR6   0   0.107   0.6702   1.3107  21.6063
 ML0  C2    C  CR16  0  -0.320   0.4409   2.6062  21.1401
 ML0  C4    C  CR16  0  -0.476  -0.4199   0.4637  21.8088
 ML0  C5    C  CR6   0   0.550  -1.6924   0.9278  21.5452
 ML0  F7    F  F     0  -0.315  -2.7316   0.1032  21.7535
 ML0  C6    C  CR16  0  -0.421  -1.9381   2.2070  21.0857
 ML0  C1    C  CR16  0  -0.225  -0.8496   3.0444  20.8840
 ML0  HO38  H  HOH1  0   0.481  16.6342   7.2361  18.3037
 ML0  H34   H  HCH1  0   0.261  14.0742   4.4467  17.4983
 ML0  HN35  H  HNH2  0   0.358  13.7968   3.9725  19.8653
 ML0  HN3A  H  HNH2  0   0.355  15.3613   4.1244  19.5131
 ML0  H33   H  HCH2  0   0.263  12.7967   6.6788  19.1314
 ML0  H33A  H  HCH2  0   0.269  12.5215   6.3321  17.4250
 ML0  H29   H  HCR6  0   0.257  11.4847   5.5570  20.7872
 ML0  H28   H  HCR6  0   0.256   9.7776   3.9333  21.3872
 ML0  H31   H  HCR6  0   0.254  11.5889   4.0020  16.8032
 ML0  H32   H  HCR6  0   0.256   9.8721   2.3614  17.4000
 ML0  H21   H  HCR6  0   0.275   8.7916   2.1867  21.9463
 ML0  HN26  H  HNH2  0   0.399   7.0023  -0.1023  17.0860
 ML0  HN2A  H  HNH2  0   0.399   6.0640  -1.0264  18.1882
 ML0  H14   H  HCH1  0   0.314   6.2306  -1.4617  22.0834
 ML0  H10   H  HCR6  0   0.264   4.9896   1.9312  23.1433
 ML0  H9    H  HCR6  0   0.261   2.7268   2.7034  22.6961
 ML0  H12   H  HCR6  0   0.261   3.9759  -1.9332  21.5862
 ML0  H13   H  HCR6  0   0.261   1.7057  -1.1548  21.1323
 ML0  H2    H  HCR6  0   0.261   1.2738   3.2717  20.9542
 ML0  H4    H  HCR6  0   0.278  -0.2840  -0.5408  22.1895
 ML0  H6    H  HCR6  0   0.282  -2.9488   2.5402  20.8908
 ML0  H1    H  HCR6  0   0.272  -1.0134   4.0483  20.5157

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
 ML0  C36  O38   single    1.323  0.020  1.323
 ML0  O38  HO38  single    0.850  0.020  0.980
 ML0  O37  C36   double    1.207  0.020  1.207
 ML0  C36  C34   single    1.517  0.020  1.517
 ML0  C33  C34   single    1.541  0.020  1.541
 ML0  C34  N35   single    1.446  0.020  1.446
 ML0  C34  H34   single    0.970  0.020  1.090
 ML0  N35  HN35  single    0.890  0.020  1.040
 ML0  N35  HN3A  single    0.890  0.020  1.040
 ML0  C33  C30   single    1.502  0.020  1.502
 ML0  C33  H33   single    0.970  0.020  1.090
 ML0  C33  H33A  single    0.970  0.020  1.090
 ML0  C31  C30   aromatic  1.394  0.020  1.394
 ML0  C30  C29   aromatic  1.392  0.020  1.392
 ML0  C29  C28   aromatic  1.387  0.020  1.387
 ML0  C29  H29   single    0.930  0.020  1.080
 ML0  C27  C28   aromatic  1.394  0.020  1.394
 ML0  C28  H28   single    0.930  0.020  1.080
 ML0  C31  C32   aromatic  1.383  0.020  1.383
 ML0  C31  H31   single    0.930  0.020  1.080
 ML0  C32  C27   aromatic  1.397  0.020  1.397
 ML0  C32  H32   single    0.930  0.020  1.080
 ML0  C27  C22   single    1.479  0.020  1.479
 ML0  N23  C22   aromatic  1.333  0.020  1.333
 ML0  C22  C21   aromatic  1.387  0.020  1.387
 ML0  C21  C20   aromatic  1.393  0.020  1.393
 ML0  C21  H21   single    0.930  0.020  1.080
 ML0  N23  C24   aromatic  1.329  0.020  1.329
 ML0  N26  C24   single    1.344  0.020  1.344
 ML0  C24  N25   aromatic  1.340  0.020  1.340
 ML0  N26  HN26  single    0.890  0.020  1.040
 ML0  N26  HN2A  single    0.890  0.020  1.040
 ML0  N25  C20   aromatic  1.308  0.020  1.308
 ML0  C20  O16   single    1.339  0.020  1.339
 ML0  O16  C14   single    1.413  0.020  1.413
 ML0  C11  C14   single    1.505  0.020  1.505
 ML0  C14  C15   single    1.523  0.020  1.523
 ML0  C14  H14   single    0.970  0.020  1.090
 ML0  C15  F19   single    1.335  0.020  1.335
 ML0  C15  F17   single    1.335  0.020  1.335
 ML0  C15  F18   single    1.336  0.020  1.336
 ML0  C12  C11   aromatic  1.389  0.020  1.389
 ML0  C11  C10   aromatic  1.390  0.020  1.390
 ML0  C9   C10   aromatic  1.385  0.020  1.385
 ML0  C10  H10   single    0.930  0.020  1.080
 ML0  C8   C9    aromatic  1.395  0.020  1.395
 ML0  C9   H9    single    0.930  0.020  1.080
 ML0  C13  C12   aromatic  1.385  0.020  1.385
 ML0  C12  H12   single    0.930  0.020  1.080
 ML0  C13  C8    aromatic  1.395  0.020  1.395
 ML0  C13  H13   single    0.930  0.020  1.080
 ML0  C3   C8    single    1.476  0.020  1.476
 ML0  C2   C3    aromatic  1.396  0.020  1.396
 ML0  C3   C4    aromatic  1.395  0.020  1.395
 ML0  C1   C2    aromatic  1.387  0.020  1.387
 ML0  C2   H2    single    0.930  0.020  1.080
 ML0  C5   C4    aromatic  1.380  0.020  1.380
 ML0  C4   H4    single    0.930  0.020  1.080
 ML0  C6   C5    aromatic  1.381  0.020  1.381
 ML0  C5   F7    single    1.343  0.020  1.343
 ML0  C1   C6    aromatic  1.388  0.020  1.388
 ML0  C6   H6    single    0.930  0.020  1.080
 ML0  C1   H1    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
 ML0  HO38  O38  C36   109.39  3.000
 ML0  C34   C36  O37   122.43  3.000
 ML0  C34   C36  O38   114.24  3.000
 ML0  O37   C36  O38   123.32  3.000
 ML0  H34   C34  C33   107.25  3.000
 ML0  H34   C34  N35   113.73  3.000
 ML0  C33   C34  N35   110.09  3.000
 ML0  H34   C34  C36   105.01  3.000
 ML0  N35   C34  C36   112.61  3.000
 ML0  C33   C34  C36   107.79  3.000
 ML0  HN3A  N35  HN35  105.39  3.000
 ML0  HN3A  N35  C34   110.35  3.000
 ML0  HN35  N35  C34   108.80  3.000
 ML0  H33A  C33  H33   107.67  3.000
 ML0  H33A  C33  C30   109.61  3.000
 ML0  H33   C33  C30   110.10  3.000
 ML0  H33A  C33  C34   108.73  3.000
 ML0  H33   C33  C34   108.98  3.000
 ML0  C30   C33  C34   111.66  3.000
 ML0  C31   C30  C29   118.14  3.000
 ML0  C29   C30  C33   121.34  3.000
 ML0  C31   C30  C33   120.51  3.000
 ML0  H29   C29  C28   119.33  3.000
 ML0  H29   C29  C30   119.63  3.000
 ML0  C28   C29  C30   121.03  3.000
 ML0  H28   C28  C27   120.85  3.000
 ML0  H28   C28  C29   118.37  3.000
 ML0  C27   C28  C29   120.78  3.000
 ML0  H31   C31  C32   119.21  3.000
 ML0  H31   C31  C30   119.76  3.000
 ML0  C32   C31  C30   121.03  3.000
 ML0  H32   C32  C27   119.44  3.000
 ML0  H32   C32  C31   119.75  3.000
 ML0  C27   C32  C31   120.82  3.000
 ML0  C22   C27  C32   119.91  3.000
 ML0  C22   C27  C28   121.89  3.000
 ML0  C32   C27  C28   118.20  3.000
 ML0  N23   C22  C21   121.67  3.000
 ML0  C21   C22  C27   121.92  3.000
 ML0  N23   C22  C27   116.41  3.000
 ML0  H21   C21  C20   120.96  3.000
 ML0  H21   C21  C22   123.64  3.000
 ML0  C20   C21  C22   115.40  3.000
 ML0  C24   N23  C22   117.49  3.000
 ML0  N25   C24  N26   116.74  3.000
 ML0  N25   C24  N23   125.45  3.000
 ML0  N26   C24  N23   117.79  3.000
 ML0  HN2A  N26  HN26  117.38  3.000
 ML0  HN2A  N26  C24   119.02  3.000
 ML0  HN26  N26  C24   118.86  3.000
 ML0  C20   N25  C24   116.02  3.000
 ML0  O16   C20  N25   118.94  3.000
 ML0  O16   C20  C21   117.10  3.000
 ML0  N25   C20  C21   123.96  3.000
 ML0  C14   O16  C20   117.90  3.000
 ML0  H14   C14  C11   109.63  3.000
 ML0  H14   C14  C15   107.28  3.000
 ML0  C11   C14  C15   111.40  3.000
 ML0  H14   C14  O16   110.98  3.000
 ML0  C15   C14  O16   104.53  3.000
 ML0  C11   C14  O16   112.80  3.000
 ML0  F17   C15  F18   107.54  3.000
 ML0  F18   C15  F19   107.21  3.000
 ML0  F17   C15  F19   107.62  3.000
 ML0  F18   C15  C14   112.47  3.000
 ML0  F17   C15  C14   110.14  3.000
 ML0  F19   C15  C14   111.63  3.000
 ML0  C12   C11  C10   119.09  3.000
 ML0  C10   C11  C14   121.36  3.000
 ML0  C12   C11  C14   119.55  3.000
 ML0  H10   C10  C9    118.87  3.000
 ML0  H10   C10  C11   120.88  3.000
 ML0  C9    C10  C11   120.25  3.000
 ML0  H9    C9   C8    119.97  3.000
 ML0  H9    C9   C10   118.98  3.000
 ML0  C8    C9   C10   121.03  3.000
 ML0  H12   C12  C13   119.31  3.000
 ML0  H12   C12  C11   120.05  3.000
 ML0  C13   C12  C11   120.62  3.000
 ML0  H13   C13  C8    120.08  3.000
 ML0  H13   C13  C12   119.17  3.000
 ML0  C8    C13  C12   120.72  3.000
 ML0  C3    C8   C13   120.89  3.000
 ML0  C3    C8   C9    120.83  3.000
 ML0  C13   C8   C9    118.28  3.000
 ML0  C4    C3   C2    118.92  3.000
 ML0  C4    C3   C8    120.11  3.000
 ML0  C2    C3   C8    120.97  3.000
 ML0  H2    C2   C1    119.35  3.000
 ML0  H2    C2   C3    120.12  3.000
 ML0  C1    C2   C3    120.52  3.000
 ML0  H4    C4   C5    119.67  3.000
 ML0  H4    C4   C3    121.07  3.000
 ML0  C5    C4   C3    119.25  3.000
 ML0  C6    C5   F7    118.86  3.000
 ML0  F7    C5   C4    118.52  3.000
 ML0  C6    C5   C4    122.62  3.000
 ML0  H6    C6   C1    121.37  3.000
 ML0  H6    C6   C5    120.75  3.000
 ML0  C1    C6   C5    117.88  3.000
 ML0  H1    C1   C6    119.38  3.000
 ML0  H1    C1   C2    119.80  3.000
 ML0  C6    C1   C2    120.82  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
 ML0  CONST_01  C27   C32  C31  C30    0.00   0.0  0
 ML0  CONST_02  C27   C28  C29  C30    0.00   0.0  0
 ML0  CONST_03  C32   C31  C30  C29    0.00   0.0  0
 ML0  CONST_04  C32   C27  C28  C29    0.00   0.0  0
 ML0  CONST_05  C22   C27  C28  C29  180.00   0.0  0
 ML0  CONST_06  C31   C30  C29  C28    0.00   0.0  0
 ML0  CONST_07  C31   C32  C27  C28    0.00   0.0  0
 ML0  CONST_08  N23   C22  C27  C28  180.00   0.0  0
 ML0  CONST_09  C21   C22  C27  C28    0.00   0.0  0
 ML0  CONST_10  C22   C27  C32  C31  180.00   0.0  0
 ML0  CONST_11  N23   C22  C27  C32    0.00   0.0  0
 ML0  CONST_12  C21   C22  C27  C32  180.00   0.0  0
 ML0  CONST_13  C24   N23  C22  C27  180.00   0.0  0
 ML0  CONST_14  C20   C21  C22  C27  180.00   0.0  0
 ML0  CONST_15  N25   C24  N23  C22    0.00   0.0  0
 ML0  CONST_16  N25   C20  C21  C22    0.00   0.0  0
 ML0  CONST_17  C24   N23  C22  C21    0.00   0.0  0
 ML0  CONST_18  C24   N25  C20  C21    0.00   0.0  0
 ML0  CONST_19  C20   C21  C22  N23    0.00   0.0  0
 ML0  CONST_20  C20   N25  C24  N23    0.00   0.0  0
 ML0  CONST_21  C8    C13  C12  C11    0.00   0.0  0
 ML0  CONST_22  C8    C9   C10  C11    0.00   0.0  0
 ML0  CONST_23  C13   C12  C11  C10    0.00   0.0  0
 ML0  CONST_24  C13   C8   C9   C10    0.00   0.0  0
 ML0  CONST_25  C3    C8   C9   C10  180.00   0.0  0
 ML0  CONST_26  C12   C11  C10  C9     0.00   0.0  0
 ML0  CONST_27  C12   C13  C8   C9     0.00   0.0  0
 ML0  CONST_30  C3    C8   C13  C12  180.00   0.0  0
 ML0  CONST_33  C1    C2   C3   C8   180.00   0.0  0
 ML0  CONST_34  C5    C4   C3   C8   180.00   0.0  0
 ML0  CONST_35  C6    C1   C2   C3     0.00   0.0  0
 ML0  CONST_36  C6    C5   C4   C3     0.00   0.0  0
 ML0  CONST_37  C5    C4   C3   C2     0.00   0.0  0
 ML0  CONST_38  C5    C6   C1   C2     0.00   0.0  0
 ML0  CONST_39  C1    C2   C3   C4     0.00   0.0  0
 ML0  CONST_40  C1    C6   C5   C4     0.00   0.0  0
 ML0  CONST_41  C32   C31  C30  C33  180.00   0.0  0
 ML0  CONST_42  C28   C29  C30  C33  180.00   0.0  0
 ML0  CONST_43  N26   C24  N23  C22  180.00   0.0  0
 ML0  CONST_44  O16   C20  C21  C22  180.00   0.0  0
 ML0  CONST_45  O16   C20  N25  C24  180.00   0.0  0
 ML0  CONST_46  C20   N25  C24  N26  180.00   0.0  0
 ML0  CONST_47  C13   C12  C11  C14  180.00   0.0  0
 ML0  CONST_48  C9    C10  C11  C14  180.00   0.0  0
 ML0  CONST_49  F7    C5   C4   C3   180.00   0.0  0
 ML0  CONST_50  C1    C6   C5   F7   180.00   0.0  0
 ML0  CONST_51  H32   C32  C31  C30  180.00   0.0  0
 ML0  CONST_52  H28   C28  C29  C30  180.00   0.0  0
 ML0  CONST_53  H31   C31  C30  C29  180.00   0.0  0
 ML0  CONST_54  H29   C29  C30  C31  180.00   0.0  0
 ML0  CONST_55  H21   C21  C22  C27    0.00   0.0  0
 ML0  CONST_56  H13   C13  C12  C11  180.00   0.0  0
 ML0  CONST_57  H9    C9   C10  C11  180.00   0.0  0
 ML0  CONST_58  H12   C12  C11  C10  180.00   0.0  0
 ML0  CONST_59  H10   C10  C11  C12  180.00   0.0  0
 ML0  CONST_60  H2    C2   C3   C8     0.00   0.0  0
 ML0  CONST_61  H4    C4   C3   C8     0.00   0.0  0
 ML0  CONST_62  H1    C1   C2   C3   180.00   0.0  0
 ML0  CONST_63  H6    C6   C1   C2   180.00   0.0  0
 ML0  CONST_64  HN26  N26  C24  N23    0.00   0.0  0
 ML0  CONST_65  HN2A  N26  C24  N23  180.00   0.0  0
 ML0  CONST_66  HO38  O38  C36  O37    0.00   0.0  0
 ML0  Var_01    C31   C30  C33  C34  -74.82  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
 ML0  chir_01  C34  C36  C33  N35  positiv
 ML0  chir_02  C14  O16  C11  C15  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
 ML0  plan-1  C33   0.020
 ML0  plan-1  C30   0.020
 ML0  plan-1  C29   0.020
 ML0  plan-1  C28   0.020
 ML0  plan-1  C31   0.020
 ML0  plan-1  C32   0.020
 ML0  plan-1  C27   0.020
 ML0  plan-1  C22   0.020
 ML0  plan-1  H29   0.020
 ML0  plan-1  H28   0.020
 ML0  plan-1  H31   0.020
 ML0  plan-1  H32   0.020
 ML0  plan-2  C27   0.020
 ML0  plan-2  C22   0.020
 ML0  plan-2  C21   0.020
 ML0  plan-2  N23   0.020
 ML0  plan-2  C24   0.020
 ML0  plan-2  N26   0.020
 ML0  plan-2  N25   0.020
 ML0  plan-2  C20   0.020
 ML0  plan-2  O16   0.020
 ML0  plan-2  H21   0.020
 ML0  plan-3  C14   0.020
 ML0  plan-3  C11   0.020
 ML0  plan-3  C10   0.020
 ML0  plan-3  C9    0.020
 ML0  plan-3  C12   0.020
 ML0  plan-3  C13   0.020
 ML0  plan-3  C8    0.020
 ML0  plan-3  C3    0.020
 ML0  plan-3  H10   0.020
 ML0  plan-3  H9    0.020
 ML0  plan-3  H12   0.020
 ML0  plan-3  H13   0.020
 ML0  plan-4  C8    0.020
 ML0  plan-4  C3    0.020
 ML0  plan-4  C2    0.020
 ML0  plan-4  C4    0.020
 ML0  plan-4  C5    0.020
 ML0  plan-4  F7    0.020
 ML0  plan-4  C6    0.020
 ML0  plan-4  C1    0.020
 ML0  plan-4  H2    0.020
 ML0  plan-4  H4    0.020
 ML0  plan-4  H6    0.020
 ML0  plan-4  H1    0.020
 ML0  plan-5  C24   0.020
 ML0  plan-5  N26   0.020
 ML0  plan-5  HN26  0.020
 ML0  plan-5  HN2A  0.020
 ML0  plan-6  O38   0.020
 ML0  plan-6  C36   0.020
 ML0  plan-6  O37   0.020
 ML0  plan-6  C34   0.020
 ML0  plan-6  HO38  0.020

