# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Apr 24 07:22:50 2020
#   Inital geometry file: a 157 line input string
#   Ligand name: 5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1cc2nccc(Oc3ccc(cc3F)C4=CN=C(Nc5ccc(F)cc5)N(C)C4=O)c2cc1OC
#
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
 MT4  MT4  5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-2-[(4-fluorophenyl)amino]-3-methylpyrimidin-4(3H)-one  ligand  60  38  .  2021-08-14  2021-08-14  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_MT4
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
 MT4  N1    N  N     0  -0.450   -5.7481   2.2029   1.4264
 MT4  N3    N  N     0  -0.490    4.6175  -0.3206   0.0131
 MT4  C4    C  CR16  0  -0.426   -3.5283   1.8275   0.5890
 MT4  C5    C  CR6   0   0.438   -3.9208   0.6612  -0.0190
 MT4  C6    C  CR6   0   0.344   -7.0603  -1.3126  -0.3789
 MT4  C7    C  CR6   0   0.331   -7.9540  -0.4872   0.3804
 MT4  C8    C  CR16  0  -0.453   -7.4938   0.6620   0.9617
 MT4  C13   C  CR6   0   0.534   -1.0081  -0.2872   0.3886
 MT4  C15   C  CR6   0   0.123    1.0234   0.4498  -0.6606
 MT4  C17   C  CR16  0  -0.289   -1.1026   0.6530  -1.8009
 MT4  C20   C  CR6   0   0.778    5.2020   0.7604  -0.4316
 MT4  C21   C  CR16  0  -0.044    3.2851  -0.3864  -0.0973
 MT4  C24   C  CR16  0  -0.306    8.4852   0.4012   0.9761
 MT4  C26   C  CR6   0   0.518    9.3030  -1.8192   1.2208
 MT4  C28   C  CR16  0  -0.254    7.3321  -1.4307  -0.0711
 MT4  O2    O  O2    0  -0.454   -9.2092  -0.9419   0.4512
 MT4  O1    O  O2    0  -0.458   -7.6233  -2.4102  -0.9017
 MT4  C11   C  CH3   0  -0.442   -6.8051  -3.2762  -1.6644
 MT4  C9    C  CR16  0  -0.459   -5.7491  -0.9517  -0.5176
 MT4  C1    C  CR66  0  -0.009   -5.2649   0.2370   0.0816
 MT4  C2    C  CR66  0   0.204   -6.1405   1.0559   0.8276
 MT4  C3    C  CR16  0  -0.091   -4.4946   2.5557   1.2988
 MT4  O3    O  O2    0  -0.496   -3.1030  -0.1319  -0.7476
 MT4  C12   C  CR6   0   0.148   -1.7537   0.0931  -0.7159
 MT4  C14   C  CR16  0  -0.485    0.3568  -0.1074   0.4334
 MT4  C16   C  CR16  0  -0.309    0.2725   0.8246  -1.7770
 MT4  C18   C  CR6   0  -0.211    2.4864   0.5913  -0.6180
 MT4  C19   C  CR6   0   0.570    3.1199   1.7885  -1.1050
 MT4  O4    O  O     0  -0.470    2.5403   2.7537  -1.5768
 MT4  N2    N  NR6   0  -0.576    4.5219   1.7958  -1.0006
 MT4  C23   C  CR6   0   0.343    7.4309  -0.0676   0.1976
 MT4  C25   C  CR16  0  -0.404    9.4338  -0.4715   1.4866
 MT4  C27   C  CR16  0  -0.412    8.2667  -2.3111   0.4508
 MT4  H4    H  HCR6  0   0.285   -2.5159   2.2024   0.5312
 MT4  H8    H  HCR6  0   0.286   -8.1422   1.3034   1.5429
 MT4  H10   H  HCH3  0   0.234   -9.8477  -0.1099   2.2503
 MT4  H10A  H  HCH3  0   0.233  -10.2868   0.8093   0.7925
 MT4  H10B  H  HCH3  0   0.265  -11.0880  -0.7342   1.1461
 MT4  H17   H  HCR6  0   0.285   -1.6752   0.9455  -2.6715
 MT4  H21   H  HCR6  0   0.273    2.8400  -1.3087   0.2616
 MT4  H22   H  HCH3  0   0.273    6.0018   2.6461  -2.2282
 MT4  H22A  H  HCH3  0   0.299    4.5436   3.6093  -2.0150
 MT4  H22B  H  HCH3  0   0.273    5.7076   3.5162  -0.6996
 MT4  H24   H  HCR6  0   0.283    8.5705   1.4594   1.1894
 MT4  H28   H  HCR6  0   0.280    6.5338  -1.8154  -0.6865
 MT4  H11   H  HCH3  0   0.232   -6.3899  -2.7721  -2.5407
 MT4  H11A  H  HCH3  0   0.232   -5.9839  -3.6834  -1.0691
 MT4  H11B  H  HCH3  0   0.264   -7.4421  -4.0928  -1.9939
 MT4  H9    H  HCR6  0   0.290   -5.0695  -1.5694  -1.0869
 MT4  H3    H  HCR6  0   0.263   -4.1957   3.4804   1.7808
 MT4  H14   H  HCR6  0   0.283    0.8931  -0.3917   1.3302
 MT4  H16   H  HCR6  0   0.262    0.7575   1.2435  -2.6458
 MT4  HN4   H  HNH1  0   0.437    6.9482   1.7912  -0.5017
 MT4  H25   H  HCR6  0   0.285   10.2543  -0.1018   2.0872
 MT4  H27   H  HCR6  0   0.284    8.1910  -3.3708   0.2453
 MT4  F2    F  F     0  -0.300   -1.6438  -0.8192   1.4387
 MT4  C10   C  CH3   0  -0.440  -10.1467  -0.1939   1.2027
 MT4  N4    N  NH1   0  -0.790    6.5448   0.8818  -0.3440
 MT4  C22   C  CH3   0  -0.599    5.2431   2.9552  -1.5107
 MT4  F1    F  F     0  -0.316   10.2096  -2.6761   1.7182

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
 MT4  N1   C2    aromatic  1.352  0.020  1.352
 MT4  N1   C3    aromatic  1.309  0.020  1.309
 MT4  N3   C20   double    1.307  0.020  1.307
 MT4  N3   C21   single    1.339  0.020  1.339
 MT4  C4   C5    aromatic  1.373  0.020  1.373
 MT4  C4   C3    aromatic  1.403  0.020  1.403
 MT4  C5   C1    aromatic  1.413  0.020  1.413
 MT4  C5   O3    single    1.352  0.020  1.352
 MT4  C6   C7    aromatic  1.434  0.020  1.434
 MT4  C6   O1    single    1.340  0.020  1.340
 MT4  C6   C9    aromatic  1.367  0.020  1.367
 MT4  C7   C8    aromatic  1.368  0.020  1.368
 MT4  C7   O2    single    1.337  0.020  1.337
 MT4  C8   C2    aromatic  1.416  0.020  1.416
 MT4  C10  O2    single    1.415  0.020  1.415
 MT4  C13  C12   aromatic  1.386  0.020  1.386
 MT4  C13  C14   aromatic  1.377  0.020  1.377
 MT4  C13  F2    single    1.338  0.020  1.338
 MT4  C15  C14   aromatic  1.397  0.020  1.397
 MT4  C15  C16   aromatic  1.397  0.020  1.397
 MT4  C15  C18   single    1.470  0.020  1.470
 MT4  C17  C12   aromatic  1.384  0.020  1.384
 MT4  C17  C16   aromatic  1.386  0.020  1.386
 MT4  C20  N2    single    1.363  0.020  1.363
 MT4  C20  N4    single    1.351  0.020  1.351
 MT4  C21  C18   double    1.366  0.020  1.366
 MT4  C22  N2    single    1.458  0.020  1.458
 MT4  C24  C23   aromatic  1.392  0.020  1.392
 MT4  C24  C25   aromatic  1.386  0.020  1.386
 MT4  C26  C25   aromatic  1.380  0.020  1.380
 MT4  C26  F1    single    1.343  0.020  1.343
 MT4  C26  C27   aromatic  1.382  0.020  1.382
 MT4  C28  C23   aromatic  1.393  0.020  1.393
 MT4  C28  C27   aromatic  1.386  0.020  1.386
 MT4  O1   C11   single    1.415  0.020  1.415
 MT4  C9   C1    aromatic  1.417  0.020  1.417
 MT4  C1   C2    aromatic  1.412  0.020  1.412
 MT4  O3   C12   single    1.368  0.020  1.368
 MT4  C18  C19   single    1.439  0.020  1.439
 MT4  C19  O4    double    1.221  0.020  1.221
 MT4  C19  N2    single    1.406  0.020  1.406
 MT4  N4   C23   single    1.407  0.020  1.407
 MT4  C4   H4    single    0.930  0.020  1.080
 MT4  C8   H8    single    0.930  0.020  1.080
 MT4  C10  H10   single    0.970  0.020  1.090
 MT4  C10  H10A  single    0.970  0.020  1.090
 MT4  C10  H10B  single    0.970  0.020  1.090
 MT4  C17  H17   single    0.930  0.020  1.080
 MT4  C21  H21   single    0.930  0.020  1.080
 MT4  C22  H22   single    0.970  0.020  1.090
 MT4  C22  H22A  single    0.970  0.020  1.090
 MT4  C22  H22B  single    0.970  0.020  1.090
 MT4  C24  H24   single    0.930  0.020  1.080
 MT4  C28  H28   single    0.930  0.020  1.080
 MT4  C11  H11   single    0.970  0.020  1.090
 MT4  C11  H11A  single    0.970  0.020  1.090
 MT4  C11  H11B  single    0.970  0.020  1.090
 MT4  C9   H9    single    0.930  0.020  1.080
 MT4  C3   H3    single    0.930  0.020  1.080
 MT4  C14  H14   single    0.930  0.020  1.080
 MT4  C16  H16   single    0.930  0.020  1.080
 MT4  N4   HN4   single    0.860  0.020  1.020
 MT4  C25  H25   single    0.930  0.020  1.080
 MT4  C27  H27   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
 MT4  C3    N1   C2    117.62  3.000
 MT4  C21   N3   C20   117.24  3.000
 MT4  H4    C4   C3    119.47  3.000
 MT4  H4    C4   C5    122.60  3.000
 MT4  C3    C4   C5    117.92  3.000
 MT4  O3    C5   C1    115.95  3.000
 MT4  O3    C5   C4    124.34  3.000
 MT4  C1    C5   C4    119.70  3.000
 MT4  C9    C6   O1    125.43  3.000
 MT4  C9    C6   C7    119.97  3.000
 MT4  O1    C6   C7    114.60  3.000
 MT4  O2    C7   C8    125.39  3.000
 MT4  O2    C7   C6    114.67  3.000
 MT4  C8    C7   C6    119.94  3.000
 MT4  H8    C8   C2    117.32  3.000
 MT4  H8    C8   C7    121.67  3.000
 MT4  C2    C8   C7    121.01  3.000
 MT4  F2    C13  C14   119.82  3.000
 MT4  F2    C13  C12   118.62  3.000
 MT4  C14   C13  C12   121.55  3.000
 MT4  C18   C15  C16   122.16  3.000
 MT4  C18   C15  C14   119.37  3.000
 MT4  C16   C15  C14   118.45  3.000
 MT4  H17   C17  C16   120.35  3.000
 MT4  H17   C17  C12   119.42  3.000
 MT4  C16   C17  C12   120.23  3.000
 MT4  N4    C20  N2    117.04  3.000
 MT4  N4    C20  N3    119.79  3.000
 MT4  N2    C20  N3    123.17  3.000
 MT4  H21   C21  C18   119.65  3.000
 MT4  H21   C21  N3    115.01  3.000
 MT4  C18   C21  N3    125.34  3.000
 MT4  H24   C24  C25   119.25  3.000
 MT4  H24   C24  C23   119.93  3.000
 MT4  C25   C24  C23   120.81  3.000
 MT4  C27   C26  F1    119.05  3.000
 MT4  C27   C26  C25   121.75  3.000
 MT4  F1    C26  C25   119.20  3.000
 MT4  H28   C28  C27   119.16  3.000
 MT4  H28   C28  C23   120.76  3.000
 MT4  C27   C28  C23   120.08  3.000
 MT4  C10   O2   C7    118.06  3.000
 MT4  C11   O1   C6    117.96  3.000
 MT4  H11B  C11  H11A  109.00  3.000
 MT4  H11B  C11  H11   109.03  3.000
 MT4  H11A  C11  H11   108.85  3.000
 MT4  H11B  C11  O1    106.53  3.000
 MT4  H11A  C11  O1    111.66  3.000
 MT4  H11   C11  O1    111.69  3.000
 MT4  H9    C9   C1    119.18  3.000
 MT4  H9    C9   C6    120.39  3.000
 MT4  C1    C9   C6    120.43  3.000
 MT4  C2    C1   C9    119.88  3.000
 MT4  C2    C1   C5    116.96  3.000
 MT4  C9    C1   C5    123.16  3.000
 MT4  C1    C2   C8    118.78  3.000
 MT4  C1    C2   N1    123.09  3.000
 MT4  C8    C2   N1    118.13  3.000
 MT4  H3    C3   C4    118.53  3.000
 MT4  H3    C3   N1    116.78  3.000
 MT4  C4    C3   N1    124.70  3.000
 MT4  C12   O3   C5    119.17  3.000
 MT4  O3    C12  C17   120.82  3.000
 MT4  O3    C12  C13   120.26  3.000
 MT4  C17   C12  C13   118.87  3.000
 MT4  H14   C14  C15   121.12  3.000
 MT4  H14   C14  C13   118.91  3.000
 MT4  C15   C14  C13   119.96  3.000
 MT4  H16   C16  C17   118.68  3.000
 MT4  H16   C16  C15   120.39  3.000
 MT4  C17   C16  C15   120.93  3.000
 MT4  C19   C18  C21   117.85  3.000
 MT4  C19   C18  C15   120.54  3.000
 MT4  C21   C18  C15   121.60  3.000
 MT4  N2    C19  O4    119.87  3.000
 MT4  N2    C19  C18   114.72  3.000
 MT4  O4    C19  C18   125.41  3.000
 MT4  C19   N2   C22   118.14  3.000
 MT4  C19   N2   C20   121.64  3.000
 MT4  C22   N2   C20   120.22  3.000
 MT4  N4    C23  C28   122.78  3.000
 MT4  N4    C23  C24   117.71  3.000
 MT4  C28   C23  C24   119.42  3.000
 MT4  H25   C25  C26   120.84  3.000
 MT4  H25   C25  C24   120.54  3.000
 MT4  C26   C25  C24   118.62  3.000
 MT4  H27   C27  C28   120.22  3.000
 MT4  H27   C27  C26   120.47  3.000
 MT4  C28   C27  C26   119.30  3.000
 MT4  H10B  C10  H10A  109.02  3.000
 MT4  H10B  C10  H10   108.97  3.000
 MT4  H10A  C10  H10   108.92  3.000
 MT4  H10B  C10  O2    106.47  3.000
 MT4  H10A  C10  O2    111.76  3.000
 MT4  H10   C10  O2    111.62  3.000
 MT4  HN4   N4   C23   114.66  3.000
 MT4  HN4   N4   C20   117.96  3.000
 MT4  C23   N4   C20   126.17  3.000
 MT4  H22B  C22  H22A  108.12  3.000
 MT4  H22B  C22  H22   109.84  3.000
 MT4  H22A  C22  H22   108.35  3.000
 MT4  H22B  C22  N2    111.09  3.000
 MT4  H22A  C22  N2    108.91  3.000
 MT4  H22   C22  N2    110.46  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
 MT4  CONST_01  C7   C8   C2   N1   180.00   0.0  0
 MT4  CONST_02  C5   C1   C2   N1     0.00   0.0  0
 MT4  CONST_03  C9   C1   C2   N1   180.00   0.0  0
 MT4  CONST_04  C5   C4   C3   N1     0.00   0.0  0
 MT4  CONST_05  C9   C1   C5   C4   180.00   0.0  0
 MT4  CONST_06  C2   C1   C5   C4     0.00   0.0  0
 MT4  CONST_07  C2   N1   C3   C4     0.00   0.0  0
 MT4  CONST_08  C6   C9   C1   C5   180.00   0.0  0
 MT4  CONST_09  C8   C2   C1   C5   180.00   0.0  0
 MT4  CONST_10  C2   C8   C7   C6     0.00   0.0  0
 MT4  CONST_11  C2   C1   C9   C6     0.00   0.0  0
 MT4  CONST_12  C1   C9   C6   C7     0.00   0.0  0
 MT4  CONST_13  C1   C2   C8   C7     0.00   0.0  0
 MT4  CONST_14  C9   C6   C7   C8     0.00   0.0  0
 MT4  CONST_15  C3   N1   C2   C8   180.00   0.0  0
 MT4  CONST_16  C9   C1   C2   C8     0.00   0.0  0
 MT4  CONST_17  C16  C17  C12  C13    0.00   0.0  0
 MT4  CONST_18  C16  C15  C14  C13    0.00   0.0  0
 MT4  CONST_19  C12  C13  C14  C15    0.00   0.0  0
 MT4  CONST_20  C12  C17  C16  C15    0.00   0.0  0
 MT4  CONST_21  C14  C13  C12  C17    0.00   0.0  0
 MT4  CONST_22  C14  C15  C16  C17    0.00   0.0  0
 MT4  CONST_23  C27  C28  C23  C24    0.00   0.0  0
 MT4  CONST_24  C27  C26  C25  C24    0.00   0.0  0
 MT4  CONST_25  C23  C24  C25  C26    0.00   0.0  0
 MT4  CONST_26  C23  C28  C27  C26    0.00   0.0  0
 MT4  CONST_27  C25  C24  C23  C28    0.00   0.0  0
 MT4  CONST_28  C25  C26  C27  C28    0.00   0.0  0
 MT4  CONST_29  C3   C4   C5   C1     0.00   0.0  0
 MT4  CONST_30  C3   N1   C2   C1     0.00   0.0  0
 MT4  CONST_31  C18  C15  C14  C13  180.00   0.0  0
 MT4  CONST_32  C18  C15  C16  C17  180.00   0.0  0
 MT4  CONST_33  C19  N2   C20  N3     0.00   0.0  0
 MT4  CONST_34  C18  C19  N2   C20    0.00   0.0  0
 MT4  CONST_35  N2   C20  N3   C21    0.00   0.0  0
 MT4  CONST_36  O1   C6   C7   C8   180.00   0.0  0
 MT4  CONST_37  F2   C13  C14  C15  180.00   0.0  0
 MT4  CONST_38  F2   C13  C12  C17  180.00   0.0  0
 MT4  CONST_39  F1   C26  C25  C24  180.00   0.0  0
 MT4  CONST_40  F1   C26  C27  C28  180.00   0.0  0
 MT4  CONST_41  C9   C6   C7   O2   180.00   0.0  0
 MT4  CONST_42  C2   C8   C7   O2   180.00   0.0  0
 MT4  CONST_43  C1   C9   C6   O1   180.00   0.0  0
 MT4  CONST_44  O3   C5   C1   C9     0.00   0.0  0
 MT4  CONST_45  O3   C5   C1   C2   180.00   0.0  0
 MT4  CONST_46  O3   C5   C4   C3   180.00   0.0  0
 MT4  CONST_47  C14  C13  C12  O3   180.00   0.0  0
 MT4  CONST_48  C16  C17  C12  O3   180.00   0.0  0
 MT4  CONST_49  C25  C24  C23  N4   180.00   0.0  0
 MT4  CONST_50  C27  C28  C23  N4   180.00   0.0  0
 MT4  CONST_51  C23  N4   C20  N3     0.00   0.0  0
 MT4  CONST_54  C23  N4   C20  N2   180.00   0.0  0
 MT4  CONST_55  C22  N2   C20  N3   180.00   0.0  0
 MT4  CONST_56  O4   C19  N2   C20  180.00   0.0  0
 MT4  CONST_57  N4   C20  N3   C21  180.00   0.0  0
 MT4  CONST_58  C18  C19  N2   C22  180.00   0.0  0
 MT4  CONST_59  N4   C20  N2   C19  180.00   0.0  0
 MT4  CONST_60  H8   C8   C2   N1     0.00   0.0  0
 MT4  CONST_61  H4   C4   C3   N1   180.00   0.0  0
 MT4  CONST_62  H3   C3   C4   C5   180.00   0.0  0
 MT4  CONST_63  H9   C9   C1   C5     0.00   0.0  0
 MT4  CONST_64  H17  C17  C12  C13  180.00   0.0  0
 MT4  CONST_65  H28  C28  C23  C24  180.00   0.0  0
 MT4  CONST_66  H24  C24  C25  C26  180.00   0.0  0
 MT4  CONST_67  H14  C14  C13  C12  180.00   0.0  0
 MT4  CONST_68  H16  C16  C17  C12  180.00   0.0  0
 MT4  CONST_69  H25  C25  C24  C23  180.00   0.0  0
 MT4  CONST_70  H27  C27  C28  C23  180.00   0.0  0
 MT4  CONST_71  N4   C20  N2   C22    0.00   0.0  0
 MT4  CONST_72  O4   C19  N2   C22    0.00   0.0  0
 MT4  Var_01    C14  C15  C18  C21   40.78  30.0  2
 MT4  Var_02    C13  C12  O3   C5    75.51  30.0  2
 MT4  Var_03    C9   C6   O1   C11   -0.07  30.0  1
 MT4  Var_04    H22  C22  N2   C20   55.03  30.0  3
 MT4  Var_05    H11  C11  O1   C6   -61.00  30.0  3
 MT4  Var_06    H10  C10  O2   C7   -60.37  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
 MT4  plan-1  C13  0.020
 MT4  plan-1  C15  0.020
 MT4  plan-1  C17  0.020
 MT4  plan-1  O3   0.020
 MT4  plan-1  C12  0.020
 MT4  plan-1  C14  0.020
 MT4  plan-1  C16  0.020
 MT4  plan-1  C18  0.020
 MT4  plan-1  H17  0.020
 MT4  plan-1  H14  0.020
 MT4  plan-1  H16  0.020
 MT4  plan-1  F2   0.020
 MT4  plan-2  C24  0.020
 MT4  plan-2  C26  0.020
 MT4  plan-2  C28  0.020
 MT4  plan-2  C23  0.020
 MT4  plan-2  C25  0.020
 MT4  plan-2  C27  0.020
 MT4  plan-2  H24  0.020
 MT4  plan-2  H28  0.020
 MT4  plan-2  H25  0.020
 MT4  plan-2  H27  0.020
 MT4  plan-2  N4   0.020
 MT4  plan-2  F1   0.020
 MT4  plan-3  N1   0.020
 MT4  plan-3  C4   0.020
 MT4  plan-3  C5   0.020
 MT4  plan-3  C6   0.020
 MT4  plan-3  C7   0.020
 MT4  plan-3  C8   0.020
 MT4  plan-3  O2   0.020
 MT4  plan-3  O1   0.020
 MT4  plan-3  C9   0.020
 MT4  plan-3  C1   0.020
 MT4  plan-3  C2   0.020
 MT4  plan-3  C3   0.020
 MT4  plan-3  O3   0.020
 MT4  plan-3  H4   0.020
 MT4  plan-3  H8   0.020
 MT4  plan-3  H9   0.020
 MT4  plan-3  H3   0.020
 MT4  plan-4  N3   0.020
 MT4  plan-4  C15  0.020
 MT4  plan-4  C20  0.020
 MT4  plan-4  C21  0.020
 MT4  plan-4  C18  0.020
 MT4  plan-4  C19  0.020
 MT4  plan-4  O4   0.020
 MT4  plan-4  N2   0.020
 MT4  plan-4  C23  0.020
 MT4  plan-4  H21  0.020
 MT4  plan-4  HN4  0.020
 MT4  plan-4  N4   0.020
 MT4  plan-4  C22  0.020

