# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Tue May 19 14:48:11 2020
#   Inital geometry file: a 176 line input string
#   Ligand name: (2S)-2-[[(2S)-2-[2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: NC1=NC(=O)c2ncc(nc2N1)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc4ccccc4)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
 19M  19M  '(2S)-2-[[(2S)-2-[2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid'  peptide  66  41  .  2022-03-10  2022-03-10
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_19M
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
 19M  C1   C  C      0   0.697  -6.2659   3.2846   0.3376
 19M  N1   N  NH2    0  -0.812  -6.1386   4.3162   1.1629
 19M  O1   O  O      0  -0.459  -8.5726   1.9298  -1.8328
 19M  C2   C  C      0   0.437  -7.5461   2.0904  -1.1949
 19M  N2   N  N      0  -0.524  -7.3781   3.1302  -0.3400
 19M  C3   C  CR6    0  -0.026  -6.4140   1.1365  -1.3276
 19M  N3   N  NH1    0  -0.735  -5.2033   2.4373   0.2496
 19M  O2   O  O      0  -0.474  -3.1846  -2.3965  -2.3007
 19M  C4   C  CR6    0   0.552  -5.2550   1.3553  -0.5775
 19M  N4   N  N      0  -0.428  -4.2120   0.5498  -0.6446
 19M  C5   C  CR6    0   0.102  -4.3114  -0.4852  -1.4603
 19M  N5   N  N      0  -0.348  -6.5002   0.0968  -2.1388
 19M  C6   C  CR16   0  -0.098  -5.4622  -0.7174  -2.2137
 19M  C7   C  C      0   0.553  -3.1407  -1.4208  -1.5659
 19M  N6   N  NH1    0  -0.653  -2.0958  -1.0855  -0.8123
 19M  C8   C  CH2    0  -0.379  -0.8839  -1.8522  -0.7854
 19M  C9   C  C      0   0.535   0.1515  -1.1301   0.0605
 19M  O3   O  O      0  -0.477  -0.1524  -0.1969   0.7854
 19M  N7   N  NH1    0  -0.630   1.3893  -1.6258  -0.0658
 19M  C10  C  CH1    0  -0.228   2.5105  -1.2087   0.7326
 19M  C18  C  C      0   0.574   3.7156  -0.9563  -0.1664
 19M  O4   O  O      0  -0.500   3.8937  -1.6182  -1.1797
 19M  C11  C  CH2    0  -0.518   2.8853  -2.2790   1.7780
 19M  C12  C  CR6    0   0.146   1.7344  -2.5684   2.6954
 19M  C13  C  CR16   0  -0.299   1.5231  -1.7948   3.8342
 19M  C17  C  CR16   0  -0.309   0.8242  -3.5796   2.3992
 19M  C14  C  CR16   0  -0.242   0.4284  -2.0221   4.6561
 19M  C16  C  CR16   0  -0.241  -0.2754  -3.8086   3.2161
 19M  C15  C  CR16   0  -0.271  -0.4775  -3.0290   4.3470
 19M  N8   N  NH1    0  -0.610   4.5355   0.0080   0.2608
 19M  C19  C  CH1    0  -0.200   5.8813   0.1641  -0.2340
 19M  C27  C  C      0   0.419   6.8614  -0.8752   0.3799
 19M  O6   O  O      0  -0.581   6.3994  -1.6918   1.1934
 19M  C20  C  CH2    0  -0.556   6.3573   1.5989   0.0126
 19M  C21  C  CR6    0   0.165   5.5065   2.6166  -0.6933
 19M  C22  C  CR16   0  -0.308   5.6741   2.8505  -2.0574
 19M  C26  C  CR16   0  -0.322   4.5150   3.3238  -0.0186
 19M  C23  C  CR16   0  -0.241   4.8741   3.7646  -2.7285
 19M  C25  C  CR16   0  -0.241   3.7110   4.2405  -0.6848
 19M  C24  C  CR16   0  -0.275   3.8873   4.4637  -2.0434
 19M  O5   O  OC    -1  -0.611   8.0373  -0.7852  -0.0228
 19M  H2   H  HNH2   0   0.422  -6.9111   4.9506   1.2719
 19M  H3   H  HNH2   0   0.425  -5.3092   4.4808   1.7074
 19M  H4   H  HNH1   0   0.435  -4.3664   2.5877   0.7974
 19M  H1   H  HCR6   0   0.288  -5.5345  -1.5679  -2.8774
 19M  H26  H  HNH1   0   0.410  -2.1522  -0.2677  -0.2202
 19M  H5   H  HCH2   0   0.284  -1.0529  -2.8441  -0.3513
 19M  H6   H  HCH2   0   0.282  -0.4992  -2.0134  -1.7956
 19M  H25  H  HNH1   0   0.404   1.5467  -2.3770  -0.7213
 19M  H17  H  HCH1   0   0.288   2.2269  -0.2913   1.2504
 19M  H18  H  HCH2   0   0.259   3.1951  -3.1872   1.2550
 19M  H19  H  HCH2   0   0.269   3.7543  -1.9259   2.3355
 19M  H24  H  HCR6   0   0.245   2.2256  -1.0068   4.0822
 19M  H20  H  HCR6   0   0.247   0.9762  -4.2010   1.5243
 19M  H23  H  HCR6   0   0.252   0.2838  -1.4137   5.5399
 19M  H21  H  HCR6   0   0.253  -0.9735  -4.5987   2.9703
 19M  H22  H  HCR6   0   0.253  -1.3317  -3.2074   4.9874
 19M  H16  H  HNH1   0   0.391   4.3415   0.4073   1.1665
 19M  H8   H  HCH1   0   0.253   5.8583  -0.0031  -1.3144
 19M  H9   H  HCH2   0   0.249   6.3675   1.8010   1.0886
 19M  H10  H  HCH2   0   0.261   7.3897   1.6695  -0.3292
 19M  H15  H  HCR6   0   0.245   6.4425   2.3131  -2.6021
 19M  H11  H  HCR6   0   0.244   4.3725   3.1616   1.0437
 19M  H14  H  HCR6   0   0.252   5.0236   3.9353  -3.7872
 19M  H12  H  HCR6   0   0.252   2.9473   4.7802  -0.1392
 19M  H13  H  HCR6   0   0.252   3.2648   5.1789  -2.5656

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
 19M  O4   C18  double    1.223  0.020  1.223
 19M  C11  C12  single    1.500  0.020  1.500
 19M  C11  C10  single    1.542  0.020  1.542
 19M  C13  C12  aromatic  1.393  0.020  1.393
 19M  C13  C14  aromatic  1.388  0.020  1.388
 19M  C12  C17  aromatic  1.392  0.020  1.392
 19M  C14  C15  aromatic  1.389  0.020  1.389
 19M  C18  C10  single    1.524  0.020  1.524
 19M  C18  N8   single    1.336  0.020  1.336
 19M  C10  N7   single    1.438  0.020  1.438
 19M  C17  C16  aromatic  1.389  0.020  1.389
 19M  C15  C16  aromatic  1.388  0.020  1.388
 19M  O6   C27  deloc     1.242  0.020  1.242
 19M  N8   C19  single    1.442  0.020  1.442
 19M  C27  C19  single    1.555  0.020  1.555
 19M  C27  O5   deloc     1.246  0.020  1.246
 19M  C19  C20  single    1.532  0.020  1.532
 19M  N7   C9   single    1.339  0.020  1.339
 19M  C23  C22  aromatic  1.388  0.020  1.388
 19M  C23  C24  aromatic  1.390  0.020  1.390
 19M  C22  C21  aromatic  1.394  0.020  1.394
 19M  O3   C9   double    1.220  0.020  1.220
 19M  C9   C8   single    1.520  0.020  1.520
 19M  C24  C25  aromatic  1.388  0.020  1.388
 19M  C21  C20  single    1.503  0.020  1.503
 19M  C21  C26  aromatic  1.392  0.020  1.392
 19M  C25  C26  aromatic  1.389  0.020  1.389
 19M  C8   N6   single    1.434  0.020  1.434
 19M  N6   C7   single    1.331  0.020  1.331
 19M  C6   N5   aromatic  1.321  0.020  1.321
 19M  C6   C5   aromatic  1.395  0.020  1.395
 19M  N5   C3   aromatic  1.322  0.020  1.322
 19M  O1   C2   double    1.219  0.020  1.219
 19M  C7   C5   single    1.502  0.020  1.502
 19M  C7   O2   double    1.222  0.020  1.222
 19M  C5   N4   aromatic  1.321  0.020  1.321
 19M  C3   C2   single    1.486  0.020  1.486
 19M  C3   C4   aromatic  1.398  0.020  1.398
 19M  C2   N2   single    1.357  0.020  1.357
 19M  N4   C4   aromatic  1.320  0.020  1.320
 19M  C4   N3   single    1.363  0.020  1.363
 19M  N2   C1   double    1.311  0.020  1.311
 19M  N3   C1   single    1.362  0.020  1.362
 19M  C1   N1   single    1.327  0.020  1.327
 19M  C6   H1   single    0.930  0.020  1.080
 19M  N1   H2   single    0.860  0.020  1.020
 19M  N1   H3   single    0.860  0.020  1.020
 19M  C8   H5   single    0.970  0.020  1.090
 19M  C8   H6   single    0.970  0.020  1.090
 19M  C19  H8   single    0.970  0.020  1.090
 19M  C20  H9   single    0.970  0.020  1.090
 19M  C20  H10  single    0.970  0.020  1.090
 19M  C26  H11  single    0.930  0.020  1.080
 19M  C25  H12  single    0.930  0.020  1.080
 19M  C24  H13  single    0.930  0.020  1.080
 19M  C23  H14  single    0.930  0.020  1.080
 19M  C22  H15  single    0.930  0.020  1.080
 19M  N8   H16  single    0.890  0.020  1.040
 19M  C10  H17  single    0.970  0.020  1.090
 19M  C11  H18  single    0.970  0.020  1.090
 19M  C11  H19  single    0.970  0.020  1.090
 19M  C17  H20  single    0.930  0.020  1.080
 19M  C16  H21  single    0.930  0.020  1.080
 19M  C15  H22  single    0.930  0.020  1.080
 19M  C14  H23  single    0.930  0.020  1.080
 19M  C13  H24  single    0.930  0.020  1.080
 19M  N7   H25  single    0.860  0.020  1.020
 19M  N6   H26  single    0.860  0.020  1.020
 19M  N3   H4   single    0.860  0.020  1.020

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
 19M  N3   C1   N2   123.72  3.000
 19M  N3   C1   N1   116.68  3.000
 19M  N2   C1   N1   119.61  3.000
 19M  H3   N1   H2   118.14  3.000
 19M  H3   N1   C1   122.88  3.000
 19M  H2   N1   C1   118.96  3.000
 19M  C3   C2   N2   116.99  3.000
 19M  N2   C2   O1   122.34  3.000
 19M  C3   C2   O1   120.66  3.000
 19M  C2   N2   C1   121.39  3.000
 19M  N5   C3   C4   120.44  3.000
 19M  C4   C3   C2   118.89  3.000
 19M  N5   C3   C2   120.66  3.000
 19M  H4   N3   C4   118.56  3.000
 19M  H4   N3   C1   121.21  3.000
 19M  C4   N3   C1   120.23  3.000
 19M  N4   C4   N3   119.05  3.000
 19M  N3   C4   C3   118.78  3.000
 19M  N4   C4   C3   122.18  3.000
 19M  C5   N4   C4   116.75  3.000
 19M  C7   C5   C6   120.08  3.000
 19M  C7   C5   N4   118.20  3.000
 19M  C6   C5   N4   121.72  3.000
 19M  C6   N5   C3   117.92  3.000
 19M  H1   C6   N5   117.83  3.000
 19M  H1   C6   C5   121.17  3.000
 19M  N5   C6   C5   120.99  3.000
 19M  N6   C7   C5   114.51  3.000
 19M  C5   C7   O2   120.76  3.000
 19M  N6   C7   O2   124.73  3.000
 19M  H26  N6   C8   117.93  3.000
 19M  H26  N6   C7   119.43  3.000
 19M  C8   N6   C7   122.63  3.000
 19M  H6   C8   H5   106.67  3.000
 19M  H6   C8   C9   110.17  3.000
 19M  H5   C8   C9   108.34  3.000
 19M  H6   C8   N6   111.03  3.000
 19M  H5   C8   N6   111.16  3.000
 19M  C9   C8   N6   109.40  3.000
 19M  N7   C9   O3   124.70  3.000
 19M  O3   C9   C8   121.63  3.000
 19M  N7   C9   C8   113.66  3.000
 19M  H25  N7   C10  117.05  3.000
 19M  H25  N7   C9   118.74  3.000
 19M  C10  N7   C9   124.11  3.000
 19M  H17  C10  C11  108.97  3.000
 19M  H17  C10  C18  110.26  3.000
 19M  C11  C10  C18  108.81  3.000
 19M  H17  C10  N7   107.74  3.000
 19M  C18  C10  N7   109.69  3.000
 19M  C11  C10  N7   111.37  3.000
 19M  N8   C18  O4   124.48  3.000
 19M  N8   C18  C10  114.58  3.000
 19M  O4   C18  C10  120.92  3.000
 19M  H19  C11  H18  106.72  3.000
 19M  H19  C11  C12  111.16  3.000
 19M  H18  C11  C12  110.48  3.000
 19M  H19  C11  C10  108.37  3.000
 19M  H18  C11  C10  108.74  3.000
 19M  C12  C11  C10  111.22  3.000
 19M  C17  C12  C13  118.56  3.000
 19M  C17  C12  C11  120.77  3.000
 19M  C13  C12  C11  120.62  3.000
 19M  H24  C13  C14  119.65  3.000
 19M  H24  C13  C12  119.49  3.000
 19M  C14  C13  C12  120.86  3.000
 19M  H20  C17  C16  119.42  3.000
 19M  H20  C17  C12  119.76  3.000
 19M  C16  C17  C12  120.81  3.000
 19M  H23  C14  C15  120.12  3.000
 19M  H23  C14  C13  119.79  3.000
 19M  C15  C14  C13  120.09  3.000
 19M  H21  C16  C15  120.06  3.000
 19M  H21  C16  C17  119.82  3.000
 19M  C15  C16  C17  120.11  3.000
 19M  H22  C15  C16  120.28  3.000
 19M  H22  C15  C14  120.16  3.000
 19M  C16  C15  C14  119.56  3.000
 19M  H16  N8   C19  116.40  3.000
 19M  H16  N8   C18  117.06  3.000
 19M  C19  N8   C18  122.75  3.000
 19M  H8   C19  C20  107.99  3.000
 19M  H8   C19  C27  107.53  3.000
 19M  C20  C19  C27  111.51  3.000
 19M  H8   C19  N8   107.63  3.000
 19M  C20  C19  N8   109.64  3.000
 19M  C27  C19  N8   112.36  3.000
 19M  O5   C27  O6   127.61  3.000
 19M  O5   C27  C19  114.77  3.000
 19M  O6   C27  C19  117.62  3.000
 19M  H10  C20  H9   106.70  3.000
 19M  H10  C20  C21  110.20  3.000
 19M  H9   C20  C21  110.00  3.000
 19M  H10  C20  C19  107.73  3.000
 19M  H9   C20  C19  109.51  3.000
 19M  C21  C20  C19  112.51  3.000
 19M  C26  C21  C22  118.33  3.000
 19M  C26  C21  C20  121.31  3.000
 19M  C22  C21  C20  120.35  3.000
 19M  H15  C22  C23  119.47  3.000
 19M  H15  C22  C21  119.57  3.000
 19M  C23  C22  C21  120.96  3.000
 19M  H11  C26  C25  119.50  3.000
 19M  H11  C26  C21  119.51  3.000
 19M  C25  C26  C21  120.99  3.000
 19M  H14  C23  C24  120.05  3.000
 19M  H14  C23  C22  119.80  3.000
 19M  C24  C23  C22  120.15  3.000
 19M  H12  C25  C24  120.18  3.000
 19M  H12  C25  C26  119.70  3.000
 19M  C24  C25  C26  120.12  3.000
 19M  H13  C24  C25  120.36  3.000
 19M  H13  C24  C23  120.19  3.000
 19M  C25  C24  C23  119.45  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
 19M  CONST_01  C5   C6   N5   C3      0.00   0.0  0
 19M  CONST_02  C5   N4   C4   C3      0.00   0.0  0
 19M  CONST_03  C6   N5   C3   C4      0.00   0.0  0
 19M  CONST_04  C6   C5   N4   C4      0.00   0.0  0
 19M  CONST_05  N5   C6   C5   N4      0.00   0.0  0
 19M  CONST_06  N5   C3   C4   N4      0.00   0.0  0
 19M  CONST_07  C15  C14  C13  C12     0.00   0.0  0
 19M  CONST_08  C15  C16  C17  C12     0.00   0.0  0
 19M  CONST_09  C16  C17  C12  C13     0.00   0.0  0
 19M  CONST_10  C16  C15  C14  C13     0.00   0.0  0
 19M  CONST_11  C14  C13  C12  C17     0.00   0.0  0
 19M  CONST_12  C14  C15  C16  C17     0.00   0.0  0
 19M  CONST_13  C24  C23  C22  C21     0.00   0.0  0
 19M  CONST_14  C24  C25  C26  C21     0.00   0.0  0
 19M  CONST_15  C25  C24  C23  C22     0.00   0.0  0
 19M  CONST_16  C25  C26  C21  C22     0.00   0.0  0
 19M  CONST_17  C23  C22  C21  C26     0.00   0.0  0
 19M  CONST_18  C23  C24  C25  C26     0.00   0.0  0
 19M  CONST_19  N3   C1   N2   C2      0.00   0.0  0
 19M  CONST_20  C4   N3   C1   N2      0.00   0.0  0
 19M  CONST_21  C7   C5   N4   C4    180.00   0.0  0
 19M  CONST_22  C7   C5   C6   N5    180.00   0.0  0
 19M  CONST_23  C14  C13  C12  C11   180.00   0.0  0
 19M  CONST_24  C16  C17  C12  C11   180.00   0.0  0
 19M  CONST_25  C23  C22  C21  C20   180.00   0.0  0
 19M  CONST_26  C25  C26  C21  C20   180.00   0.0  0
 19M  CONST_27  C2   N2   C1   N1    180.00   0.0  0
 19M  CONST_28  C4   N3   C1   N1    180.00   0.0  0
 19M  CONST_29  H1   C6   N5   C3    180.00   0.0  0
 19M  CONST_30  H23  C14  C13  C12   180.00   0.0  0
 19M  CONST_31  H21  C16  C17  C12   180.00   0.0  0
 19M  CONST_32  H20  C17  C12  C13   180.00   0.0  0
 19M  CONST_33  H22  C15  C14  C13   180.00   0.0  0
 19M  CONST_34  H24  C13  C12  C17   180.00   0.0  0
 19M  CONST_35  H14  C23  C22  C21   180.00   0.0  0
 19M  CONST_36  H12  C25  C26  C21   180.00   0.0  0
 19M  CONST_37  H13  C24  C23  C22   180.00   0.0  0
 19M  CONST_38  H11  C26  C21  C22   180.00   0.0  0
 19M  CONST_39  H15  C22  C21  C26   180.00   0.0  0
 19M  CONST_40  H4   N3   C1   N2    180.00   0.0  0
 19M  CONST_41  H2   N1   C1   N2      0.00   0.0  0
 19M  CONST_42  H3   N1   C1   N2    180.00   0.0  0
 19M  CONST_43  C8   N6   C7   C5    180.00   0.0  0
 19M  CONST_44  H26  N6   C7   C5      0.00   0.0  0
 19M  CONST_45  C8   N6   C7   O2      0.00   0.0  0
 19M  CONST_46  C10  N7   C9   C8    180.00   0.0  0
 19M  CONST_47  C10  N7   C9   O3      0.00   0.0  0
 19M  CONST_50  H25  N7   C9   C8      0.00   0.0  0
 19M  CONST_51  H16  N8   C18  C10     0.00   0.0  0
 19M  Var_01    C6   C5   C7   O2     -0.54  30.0  2
 19M  Var_02    C13  C12  C11  C10   -86.24  30.0  2
 19M  Var_03    C22  C21  C20  C19   -78.68  30.0  3
 19M  Var_04    C9   C8   N6   C7    174.39  30.0  2
 19M  Var_05    N7   C9   C8   N6   -167.56  30.0  1

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
 19M  chir_01  C10  C11  C18  N7   negativ
 19M  chir_02  C19  N8   C27  C20  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
 19M  plan-1  C11  0.020
 19M  plan-1  C12  0.020
 19M  plan-1  C13  0.020
 19M  plan-1  C17  0.020
 19M  plan-1  C14  0.020
 19M  plan-1  C16  0.020
 19M  plan-1  C15  0.020
 19M  plan-1  H24  0.020
 19M  plan-1  H20  0.020
 19M  plan-1  H23  0.020
 19M  plan-1  H21  0.020
 19M  plan-1  H22  0.020
 19M  plan-2  C19  0.020
 19M  plan-2  C27  0.020
 19M  plan-2  O6   0.020
 19M  plan-2  O5   0.020
 19M  plan-3  C20  0.020
 19M  plan-3  C21  0.020
 19M  plan-3  C22  0.020
 19M  plan-3  C26  0.020
 19M  plan-3  C23  0.020
 19M  plan-3  C25  0.020
 19M  plan-3  C24  0.020
 19M  plan-3  H15  0.020
 19M  plan-3  H11  0.020
 19M  plan-3  H14  0.020
 19M  plan-3  H12  0.020
 19M  plan-3  H13  0.020
 19M  plan-4  C1   0.020
 19M  plan-4  N1   0.020
 19M  plan-4  O1   0.020
 19M  plan-4  C2   0.020
 19M  plan-4  N2   0.020
 19M  plan-4  C3   0.020
 19M  plan-4  N3   0.020
 19M  plan-4  C4   0.020
 19M  plan-4  N4   0.020
 19M  plan-4  C5   0.020
 19M  plan-4  N5   0.020
 19M  plan-4  C6   0.020
 19M  plan-4  C7   0.020
 19M  plan-4  H2   0.020
 19M  plan-4  H3   0.020
 19M  plan-4  H4   0.020
 19M  plan-4  H1   0.020
 19M  plan-5  O2   0.020
 19M  plan-5  C5   0.020
 19M  plan-5  C7   0.020
 19M  plan-5  N6   0.020
 19M  plan-5  C8   0.020
 19M  plan-5  H26  0.020
 19M  plan-6  C8   0.020
 19M  plan-6  C9   0.020
 19M  plan-6  O3   0.020
 19M  plan-6  N7   0.020
 19M  plan-6  C10  0.020
 19M  plan-6  H25  0.020
 19M  plan-7  C10  0.020
 19M  plan-7  C18  0.020
 19M  plan-7  O4   0.020
 19M  plan-7  N8   0.020
 19M  plan-7  C19  0.020
 19M  plan-7  H16  0.020

