# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Mar 10 20:17:50 2022
#   Inital geometry file: a 162 line input string
#   Ligand name: N-[5-({5-[(3-amino-3-iminopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-4-(formylamino)-1-methyl-1H-pyrrole-2-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cn1cc(NC=O)cc1C(=O)Nc2cn(C)c(c2)C(=O)Nc3cn(C)c(c3)C(=O)NCCC(N)=N
#
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
 DMY  DMY  N-[5-({5-[(3-amino-3-iminopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-4-(formylamino)-1-methyl-1H-pyrrole-2-carboxamide  ligand  62  35  .  2022-03-18  2022-03-18
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_DMY
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
 DMY  C1    C  C1    0   0.225  10.2866  -2.9936  19.7246
 DMY  O1    O  O     0  -0.468  10.9977  -3.4366  20.6069
 DMY  N1    N  NH1   0  -0.693  10.6817  -2.1498  18.7559
 DMY  C2    C  CR5   0   0.251  11.9693  -1.6481  18.5716
 DMY  C3    C  CR15  0  -0.461  12.3564  -0.8568  17.4760
 DMY  C4    C  CR5   0   0.254  13.6986  -0.5628  17.6377
 DMY  N2    N  NR5   0  -0.467  14.1228  -1.1562  18.7912
 DMY  C5    C  CR15  0  -0.074  13.0845  -1.8122  19.3697
 DMY  C6    C  CH3   0  -0.509  15.4461  -1.1117  19.3842
 DMY  C7    C  C     0   0.491  14.5948   0.1763  16.7389
 DMY  O2    O  O     0  -0.473  15.8084   0.0190  16.7311
 DMY  N3    N  NH1   0  -0.747  13.9647   1.0355  15.9043
 DMY  C8    C  CR5   0   0.264  14.5645   1.7546  14.8738
 DMY  C9    C  CR15  0  -0.488  13.8454   2.5486  13.9623
 DMY  C10   C  CR5   0   0.260  14.7614   3.0948  13.0813
 DMY  N4    N  NR5   0  -0.471  16.0012   2.6496  13.4363
 DMY  C11   C  CR15  0  -0.074  15.8987   1.8437  14.5245
 DMY  C12   C  CH3   0  -0.510  17.2758   2.9814  12.8295
 DMY  C13   C  C     0   0.492  14.5202   3.9465  11.9096
 DMY  O3    O  O     0  -0.474  15.3053   4.0304  10.9746
 DMY  N5    N  NH1   0  -0.748  13.3474   4.6208  11.9424
 DMY  C14   C  CR5   0   0.263  12.8480   5.4370  10.9301
 DMY  C15   C  CR15  0  -0.484  11.6479   6.1635  11.0422
 DMY  C16   C  CR5   0   0.274  11.4658   6.8440   9.8529
 DMY  N6    N  NR5   0  -0.470  12.5141   6.5429   9.0338
 DMY  C17   C  CR15  0  -0.076  13.3639   5.6985   9.6754
 DMY  C18   C  CH3   0  -0.509  12.7688   7.0398   7.6957
 DMY  C19   C  C     0   0.502  10.3491   7.7149   9.4494
 DMY  O4    O  O     0  -0.489  10.0510   7.9055   8.2759
 DMY  N7    N  NH1   0  -0.649   9.6809   8.2829  10.4721
 DMY  C20   C  CH2   0  -0.289   8.4812   9.0644  10.2910
 DMY  C21   C  CH2   0  -0.510   7.2248   8.1922  10.1909
 DMY  C22   C  C     0   0.370   5.9801   9.0098   9.9638
 DMY  N8    N  N     0  -0.657   5.3586   8.9065   8.8522
 DMY  N9    N  NH2   0  -0.811   5.6667   9.8575  10.9858
 DMY  H1    H  H     0   0.211   9.2207  -3.2459  19.6313
 DMY  HN1   H  HNH1  0   0.416   9.9845  -1.8665  18.0842
 DMY  H3    H  HCR5  0   0.273  11.7254  -0.5686  16.6481
 DMY  H5    H  HCR5  0   0.293  13.2149  -2.3353  20.2999
 DMY  H61   H  HCH3  0   0.255  15.3755  -1.5104  20.3925
 DMY  H62   H  HCH3  0   0.254  16.1547  -1.7116  18.8190
 DMY  H63   H  HCH3  0   0.256  15.8131  -0.0907  19.4426
 DMY  HN3   H  HNH1  0   0.419  12.9754   1.1857  16.0249
 DMY  H9    H  HCR5  0   0.272  12.7726   2.6706  13.9371
 DMY  H11   H  HCR5  0   0.291  16.7760   1.4095  14.9680
 DMY  H121  H  HCH3  0   0.255  18.0636   2.6031  13.4752
 DMY  H122  H  HCH3  0   0.254  17.3793   2.5273  11.8475
 DMY  H123  H  HCH3  0   0.255  17.3952   4.0577  12.7365
 DMY  HN5   H  HNH1  0   0.419  12.7962   4.5836  12.7854
 DMY  H15   H  HCR5  0   0.270  10.9816   6.1566  11.8924
 DMY  H17   H  HCR5  0   0.290  14.2653   5.3616   9.1968
 DMY  H181  H  HCH3  0   0.254  13.7791   6.7539   7.4158
 DMY  H182  H  HCH3  0   0.253  12.0728   6.6163   6.9762
 DMY  H183  H  HCH3  0   0.254  12.6963   8.1236   7.6607
 DMY  HN7   H  HNH1  0   0.407   9.9992   8.1290  11.4143
 DMY  H201  H  HCH2  0   0.256   8.4080   9.7475  11.1361
 DMY  H202  H  HCH2  0   0.251   8.5794   9.6767   9.3941
 DMY  H211  H  HCH2  0   0.254   7.3299   7.4955   9.3608
 DMY  H212  H  HCH2  0   0.253   7.1213   7.6047  11.1078
 DMY  HN8   H  H     0   0.311   4.5433   9.5153   8.8325
 DMY  HN91  H  HNH2  0   0.388   4.7655  10.3081  10.9799
 DMY  HN92  H  HNH2  0   0.392   6.0269   9.6620  11.9051

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
 DMY  C1   O1    double    1.217  0.020  1.217
 DMY  C1   N1    single    1.344  0.020  1.344
 DMY  C1   H1    single    0.930  0.020  1.080
 DMY  N1   C2    single    1.394  0.020  1.394
 DMY  N1   HN1   single    0.860  0.020  1.020
 DMY  C2   C3    aromatic  1.406  0.020  1.406
 DMY  C2   C5    aromatic  1.381  0.020  1.381
 DMY  C3   C4    aromatic  1.384  0.020  1.384
 DMY  C3   H3    single    0.930  0.020  1.080
 DMY  C4   N2    aromatic  1.365  0.020  1.365
 DMY  C4   C7    single    1.469  0.020  1.469
 DMY  N2   C5    aromatic  1.358  0.020  1.358
 DMY  N2   C6    single    1.451  0.020  1.451
 DMY  C5   H5    single    0.930  0.020  1.080
 DMY  C6   H61   single    0.970  0.020  1.090
 DMY  C6   H62   single    0.970  0.020  1.090
 DMY  C6   H63   single    0.970  0.020  1.090
 DMY  C7   O2    double    1.224  0.020  1.224
 DMY  C7   N3    single    1.353  0.020  1.353
 DMY  N3   C8    single    1.392  0.020  1.392
 DMY  N3   HN3   single    0.860  0.020  1.020
 DMY  C8   C9    aromatic  1.407  0.020  1.407
 DMY  C8   C11   aromatic  1.382  0.020  1.382
 DMY  C9   C10   aromatic  1.383  0.020  1.383
 DMY  C9   H9    single    0.930  0.020  1.080
 DMY  C10  N4    aromatic  1.364  0.020  1.364
 DMY  C10  C13   single    1.468  0.020  1.468
 DMY  N4   C11   aromatic  1.358  0.020  1.358
 DMY  N4   C12   single    1.450  0.020  1.450
 DMY  C11  H11   single    0.930  0.020  1.080
 DMY  C12  H121  single    0.970  0.020  1.090
 DMY  C12  H122  single    0.970  0.020  1.090
 DMY  C12  H123  single    0.970  0.020  1.090
 DMY  C13  O3    double    1.224  0.020  1.224
 DMY  C13  N5    single    1.353  0.020  1.353
 DMY  N5   C14   single    1.393  0.020  1.393
 DMY  N5   HN5   single    0.860  0.020  1.020
 DMY  C14  C15   aromatic  1.407  0.020  1.407
 DMY  C14  C17   aromatic  1.382  0.020  1.382
 DMY  C15  C16   aromatic  1.382  0.020  1.382
 DMY  C15  H15   single    0.930  0.020  1.080
 DMY  C16  N6    aromatic  1.364  0.020  1.364
 DMY  C16  C19   single    1.473  0.020  1.473
 DMY  N6   C17   aromatic  1.359  0.020  1.359
 DMY  N6   C18   single    1.450  0.020  1.450
 DMY  C17  H17   single    0.930  0.020  1.080
 DMY  C18  H181  single    0.970  0.020  1.090
 DMY  C18  H182  single    0.970  0.020  1.090
 DMY  C18  H183  single    0.970  0.020  1.090
 DMY  C19  O4    double    1.226  0.020  1.226
 DMY  C19  N7    single    1.347  0.020  1.347
 DMY  N7   C20   single    1.443  0.020  1.443
 DMY  N7   HN7   single    0.860  0.020  1.020
 DMY  C20  C21   single    1.533  0.020  1.533
 DMY  C20  H201  single    0.970  0.020  1.090
 DMY  C20  H202  single    0.970  0.020  1.090
 DMY  C21  C22   single    1.506  0.020  1.506
 DMY  C21  H211  single    0.970  0.020  1.090
 DMY  C21  H212  single    0.970  0.020  1.090
 DMY  C22  N8    double    1.278  0.020  1.278
 DMY  C22  N9    single    1.364  0.020  1.364
 DMY  N8   HN8   single    0.890  0.020  1.040
 DMY  N9   HN91  single    0.890  0.020  1.040
 DMY  N9   HN92  single    0.890  0.020  1.040

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
 DMY  H1    C1   N1    111.59  3.000
 DMY  H1    C1   O1    123.00  3.000
 DMY  N1    C1   O1    125.41  3.000
 DMY  HN1   N1   C2    116.70  3.000
 DMY  HN1   N1   C1    116.94  3.000
 DMY  C2    N1   C1    126.35  3.000
 DMY  C5    C2   C3    107.15  3.000
 DMY  C5    C2   N1    128.80  3.000
 DMY  C3    C2   N1    124.05  3.000
 DMY  H3    C3   C4    126.85  3.000
 DMY  H3    C3   C2    125.92  3.000
 DMY  C4    C3   C2    107.19  3.000
 DMY  C7    C4   N2    123.12  3.000
 DMY  C7    C4   C3    128.85  3.000
 DMY  N2    C4   C3    107.93  3.000
 DMY  C6    N2   C5    122.56  3.000
 DMY  C6    N2   C4    128.00  3.000
 DMY  C5    N2   C4    109.43  3.000
 DMY  H5    C5   N2    120.74  3.000
 DMY  H5    C5   C2    130.97  3.000
 DMY  N2    C5   C2    108.29  3.000
 DMY  H63   C6   H62   109.05  3.000
 DMY  H63   C6   H61   108.48  3.000
 DMY  H62   C6   H61   108.81  3.000
 DMY  H63   C6   N2    111.03  3.000
 DMY  H62   C6   N2    111.42  3.000
 DMY  H61   C6   N2    107.99  3.000
 DMY  N3    C7   O2    122.64  3.000
 DMY  N3    C7   C4    114.37  3.000
 DMY  O2    C7   C4    122.98  3.000
 DMY  HN3   N3   C8    115.75  3.000
 DMY  HN3   N3   C7    118.54  3.000
 DMY  C8    N3   C7    125.71  3.000
 DMY  C11   C8   C9    107.06  3.000
 DMY  C11   C8   N3    129.51  3.000
 DMY  C9    C8   N3    123.43  3.000
 DMY  H9    C9   C10   126.75  3.000
 DMY  H9    C9   C8    125.92  3.000
 DMY  C10   C9   C8    107.28  3.000
 DMY  C13   C10  N4    123.09  3.000
 DMY  C13   C10  C9    128.94  3.000
 DMY  N4    C10  C9    107.89  3.000
 DMY  C12   N4   C11   122.51  3.000
 DMY  C12   N4   C10   127.97  3.000
 DMY  C11   N4   C10   109.48  3.000
 DMY  H11   C11  N4    120.59  3.000
 DMY  H11   C11  C8    131.13  3.000
 DMY  N4    C11  C8    108.28  3.000
 DMY  H123  C12  H122  109.02  3.000
 DMY  H123  C12  H121  108.42  3.000
 DMY  H122  C12  H121  108.81  3.000
 DMY  H123  C12  N4    111.03  3.000
 DMY  H122  C12  N4    111.48  3.000
 DMY  H121  C12  N4    108.00  3.000
 DMY  N5    C13  O3    122.70  3.000
 DMY  N5    C13  C10   114.33  3.000
 DMY  O3    C13  C10   122.96  3.000
 DMY  HN5   N5   C14   115.68  3.000
 DMY  HN5   N5   C13   118.41  3.000
 DMY  C14   N5   C13   125.81  3.000
 DMY  C17   C14  C15   107.04  3.000
 DMY  C17   C14  N5    129.57  3.000
 DMY  C15   C14  N5    123.39  3.000
 DMY  H15   C15  C16   126.81  3.000
 DMY  H15   C15  C14   125.83  3.000
 DMY  C16   C15  C14   107.33  3.000
 DMY  C19   C16  N6    123.29  3.000
 DMY  C19   C16  C15   128.81  3.000
 DMY  N6    C16  C15   107.87  3.000
 DMY  C18   N6   C17   122.60  3.000
 DMY  C18   N6   C16   127.85  3.000
 DMY  C17   N6   C16   109.53  3.000
 DMY  H17   C17  N6    120.60  3.000
 DMY  H17   C17  C14   131.17  3.000
 DMY  N6    C17  C14   108.23  3.000
 DMY  H183  C18  H182  108.94  3.000
 DMY  H183  C18  H181  108.43  3.000
 DMY  H182  C18  H181  108.80  3.000
 DMY  H183  C18  N6    111.08  3.000
 DMY  H182  C18  N6    111.40  3.000
 DMY  H181  C18  N6    108.11  3.000
 DMY  N7    C19  O4    122.72  3.000
 DMY  N7    C19  C16   114.68  3.000
 DMY  O4    C19  C16   122.60  3.000
 DMY  HN7   N7   C20   117.59  3.000
 DMY  HN7   N7   C19   119.30  3.000
 DMY  C20   N7   C19   123.05  3.000
 DMY  H202  C20  H201  106.98  3.000
 DMY  H202  C20  C21   109.86  3.000
 DMY  H201  C20  C21   110.64  3.000
 DMY  H202  C20  N7    109.41  3.000
 DMY  H201  C20  N7    107.35  3.000
 DMY  C21   C20  N7    112.43  3.000
 DMY  H212  C21  H211  107.73  3.000
 DMY  H212  C21  C22   109.85  3.000
 DMY  H211  C21  C22   108.19  3.000
 DMY  H212  C21  C20   109.18  3.000
 DMY  H211  C21  C20   109.56  3.000
 DMY  C22   C21  C20   112.23  3.000
 DMY  N9    C22  N8    126.17  3.000
 DMY  N9    C22  C21   114.47  3.000
 DMY  N8    C22  C21   119.29  3.000
 DMY  HN8   N8   C22   110.99  3.000
 DMY  HN92  N9   HN91  114.35  3.000
 DMY  HN92  N9   C22   118.77  3.000
 DMY  HN91  N9   C22   118.62  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
 DMY  CONST_01  N2    C4   C3   C2      0.00   0.0  0
 DMY  CONST_02  C4    N2   C5   C2      0.00   0.0  0
 DMY  CONST_03  N2    C5   C2   C3      0.00   0.0  0
 DMY  CONST_04  C5    N2   C4   C3      0.00   0.0  0
 DMY  CONST_05  C5    C2   C3   C4      0.00   0.0  0
 DMY  CONST_06  N4    C10  C9   C8      0.00   0.0  0
 DMY  CONST_07  C10   N4   C11  C8      0.00   0.0  0
 DMY  CONST_08  N4    C11  C8   C9      0.00   0.0  0
 DMY  CONST_09  C11   N4   C10  C9      0.00   0.0  0
 DMY  CONST_10  C11   C8   C9   C10     0.00   0.0  0
 DMY  CONST_11  N6    C16  C15  C14     0.00   0.0  0
 DMY  CONST_12  C16   N6   C17  C14     0.00   0.0  0
 DMY  CONST_13  N6    C17  C14  C15     0.00   0.0  0
 DMY  CONST_14  C17   N6   C16  C15     0.00   0.0  0
 DMY  CONST_15  C17   C14  C15  C16     0.00   0.0  0
 DMY  CONST_16  C4    C3   C2   N1    180.00   0.0  0
 DMY  CONST_17  N2    C5   C2   N1    180.00   0.0  0
 DMY  CONST_18  C7    C4   C3   C2    180.00   0.0  0
 DMY  CONST_19  C6    N2   C5   C2    180.00   0.0  0
 DMY  CONST_20  C6    N2   C4   C3    180.00   0.0  0
 DMY  CONST_21  C7    C4   N2   C5    180.00   0.0  0
 DMY  CONST_22  C10   C9   C8   N3    180.00   0.0  0
 DMY  CONST_23  N4    C11  C8   N3    180.00   0.0  0
 DMY  CONST_24  C13   C10  C9   C8    180.00   0.0  0
 DMY  CONST_25  C12   N4   C11  C8    180.00   0.0  0
 DMY  CONST_26  C12   N4   C10  C9    180.00   0.0  0
 DMY  CONST_27  C13   C10  N4   C11   180.00   0.0  0
 DMY  CONST_28  C16   C15  C14  N5    180.00   0.0  0
 DMY  CONST_29  N6    C17  C14  N5    180.00   0.0  0
 DMY  CONST_30  C19   C16  C15  C14   180.00   0.0  0
 DMY  CONST_31  C18   N6   C17  C14   180.00   0.0  0
 DMY  CONST_32  C18   N6   C16  C15   180.00   0.0  0
 DMY  CONST_33  C19   C16  N6   C17   180.00   0.0  0
 DMY  CONST_34  H5    C5   C2   C3    180.00   0.0  0
 DMY  CONST_35  H3    C3   C4   N2    180.00   0.0  0
 DMY  CONST_36  H11   C11  C8   C9    180.00   0.0  0
 DMY  CONST_37  H9    C9   C10  N4    180.00   0.0  0
 DMY  CONST_38  H17   C17  C14  C15   180.00   0.0  0
 DMY  CONST_39  H15   C15  C16  N6    180.00   0.0  0
 DMY  CONST_40  C8    N3   C7   C4    180.00   0.0  0
 DMY  CONST_41  C14   N5   C13  C10   180.00   0.0  0
 DMY  CONST_42  C3    C2   N1   C1    180.00   0.0  0
 DMY  CONST_43  C5    C2   N1   C1      0.00   0.0  0
 DMY  CONST_44  C9    C8   N3   C7    180.00   0.0  0
 DMY  CONST_45  C11   C8   N3   C7      0.00   0.0  0
 DMY  CONST_46  C15   C14  N5   C13   180.00   0.0  0
 DMY  CONST_47  C17   C14  N5   C13     0.00   0.0  0
 DMY  CONST_48  HN1   N1   C2   C3      0.00   0.0  0
 DMY  CONST_49  HN3   N3   C8   C9      0.00   0.0  0
 DMY  CONST_50  HN5   N5   C14  C15     0.00   0.0  0
 DMY  CONST_51  C2    N1   C1   O1      0.00   0.0  0
 DMY  CONST_52  C8    N3   C7   O2      0.00   0.0  0
 DMY  CONST_53  C14   N5   C13  O3      0.00   0.0  0
 DMY  CONST_54  C20   N7   C19  C16   180.00   0.0  0
 DMY  CONST_55  HN7   N7   C19  C16     0.00   0.0  0
 DMY  CONST_56  H1    C1   N1   C2    180.00   0.0  0
 DMY  CONST_57  C20   N7   C19  O4      0.00   0.0  0
 DMY  CONST_58  HN8   N8   C22  C21   180.00   0.0  0
 DMY  CONST_59  HN91  N9   C22  C21   180.00   0.0  0
 DMY  Var_01    O2    C7   C4   C3   -155.10  30.0  2
 DMY  Var_02    O3    C13  C10  C9   -156.07  30.0  2
 DMY  Var_03    O4    C19  C16  C15  -154.95  30.0  2
 DMY  Var_04    H61   C6   N2   C4    168.16  30.0  2
 DMY  Var_05    H121  C12  N4   C10   169.41  30.0  2
 DMY  Var_06    H181  C18  N6   C16   168.93  30.0  2
 DMY  Var_07    C21   C20  N7   C19    83.25  30.0  3
 DMY  Var_08    C22   C21  C20  N7   -178.41  30.0  3
 DMY  Var_09    N8    C22  C21  C20   113.08  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
 DMY  plan-1  N1    0.020
 DMY  plan-1  C2    0.020
 DMY  plan-1  C3    0.020
 DMY  plan-1  C4    0.020
 DMY  plan-1  N2    0.020
 DMY  plan-1  C5    0.020
 DMY  plan-1  C6    0.020
 DMY  plan-1  C7    0.020
 DMY  plan-1  H3    0.020
 DMY  plan-1  H5    0.020
 DMY  plan-2  C21   0.020
 DMY  plan-2  C22   0.020
 DMY  plan-2  N8    0.020
 DMY  plan-2  N9    0.020
 DMY  plan-2  HN8   0.020
 DMY  plan-2  HN91  0.020
 DMY  plan-2  HN92  0.020
 DMY  plan-3  N3    0.020
 DMY  plan-3  C8    0.020
 DMY  plan-3  C9    0.020
 DMY  plan-3  C10   0.020
 DMY  plan-3  N4    0.020
 DMY  plan-3  C11   0.020
 DMY  plan-3  C12   0.020
 DMY  plan-3  C13   0.020
 DMY  plan-3  H9    0.020
 DMY  plan-3  H11   0.020
 DMY  plan-4  N5    0.020
 DMY  plan-4  C14   0.020
 DMY  plan-4  C15   0.020
 DMY  plan-4  C16   0.020
 DMY  plan-4  N6    0.020
 DMY  plan-4  C17   0.020
 DMY  plan-4  C18   0.020
 DMY  plan-4  C19   0.020
 DMY  plan-4  H15   0.020
 DMY  plan-4  H17   0.020
 DMY  plan-5  C1    0.020
 DMY  plan-5  O1    0.020
 DMY  plan-5  N1    0.020
 DMY  plan-5  C2    0.020
 DMY  plan-5  H1    0.020
 DMY  plan-5  HN1   0.020
 DMY  plan-6  C4    0.020
 DMY  plan-6  C7    0.020
 DMY  plan-6  O2    0.020
 DMY  plan-6  N3    0.020
 DMY  plan-6  C8    0.020
 DMY  plan-6  HN3   0.020
 DMY  plan-7  C10   0.020
 DMY  plan-7  C13   0.020
 DMY  plan-7  O3    0.020
 DMY  plan-7  N5    0.020
 DMY  plan-7  C14   0.020
 DMY  plan-7  HN5   0.020
 DMY  plan-8  C16   0.020
 DMY  plan-8  C19   0.020
 DMY  plan-8  O4    0.020
 DMY  plan-8  N7    0.020
 DMY  plan-8  C20   0.020
 DMY  plan-8  HN7   0.020

