# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Mar 18 11:17:57 2022
#   Inital geometry file: a 167 line input string
#   Ligand name: 2',5'-dideoxy-5'-[4-({[(1S,2R)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetyl}amino)-1H-1,2,3-triazol-1-yl]cytidine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](Cn3cc(NC(=O)C[C@@H]4CCC[C@H]4C(=O)c5ccccc5O)nn3)O2
#
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
 L4S  L4S  2',5'-dideoxy-5'-[4-({[(1S,2R)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetyl}amino)-1H-1,2,3-triazol-1-yl]cytidine  ligand  67  38  .  2022-03-22  2022-03-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_L4S
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
 L4S  C10  C  C     0   0.545   -1.8407  -0.0377   0.9108
 L4S  C13  C  CH2   0  -0.449   -3.0827  -0.9541  -1.7530
 L4S  C15  C  CH2   0  -0.433   -5.4877  -1.3729  -2.0574
 L4S  C17  C  C     0   0.475   -6.3291  -0.4283   0.1169
 L4S  C21  C  CR16  0  -0.340   -9.8599   0.7780   0.6667
 L4S  C22  C  CR16  0  -0.232  -10.0754   1.5153  -0.4791
 L4S  C24  C  CR16  0  -0.296   -7.8709   1.0070  -1.2541
 L4S  C02  C  CH1   0  -0.010    5.1745  -2.3565   2.2721
 L4S  C03  C  CH1   0  -0.001    3.9615  -1.6772   1.6346
 L4S  C04  C  CH2   0  -0.311    3.5190  -0.4451   2.4122
 L4S  C08  C  CR5   0   0.358    0.4656   0.7132   1.0117
 L4S  C11  C  CH2   0  -0.580   -3.2174   0.3607   0.4384
 L4S  C12  C  CR15  0  -0.208   -3.8450  -0.7127  -0.4428
 L4S  C14  C  CH2   0  -0.440   -4.1273  -1.4657  -2.7665
 L4S  C16  C  CR15  0  -0.408   -5.2493  -0.3545  -0.9286
 L4S  C18  C  CR6   0  -0.163   -7.6145   0.2500  -0.1010
 L4S  C19  C  CR6   0   0.371   -8.6349   0.1377   0.8717
 L4S  C23  C  CR16  0  -0.269   -9.0815   1.6349  -1.4509
 L4S  C27  C  CR15  0  -0.070    1.1206  -0.2663   1.7162
 L4S  C29  C  CH1   0   0.251    5.7244  -1.5325   0.1293
 L4S  C31  C  CR16  0   0.097    6.7226  -0.8019  -1.9420
 L4S  C32  C  CR16  0  -0.476    7.2296   0.1140  -2.7879
 L4S  C33  C  CR6   0   0.514    7.2609   1.4616  -2.3147
 L4S  C36  C  CR6   0   0.610    6.3154   0.8669  -0.2725
 L4S  C38  C  CH2   0  -0.555    6.3279  -1.7086   1.5177
 L4S  N05  N  NR5   0  -0.260    2.3858   0.2004   1.7835
 L4S  N06  N  N     0  -0.080    2.5065   1.3562   1.1740
 L4S  N07  N  N     0  -0.341    1.3485   1.6814   0.7017
 L4S  N09  N  NH1   0  -0.715   -0.8558   0.8470   0.6267
 L4S  N30  N  NR6   0  -0.566    6.2775  -0.4753  -0.7016
 L4S  N34  N  NH2   0  -0.809    7.7483   2.4230  -3.0968
 L4S  N35  N  N     0  -0.542    6.8170   1.7910  -1.1187
 L4S  O01  O  OH1   0  -0.671    5.0668  -3.7373   2.0101
 L4S  O20  O  OH1   0  -0.624   -8.4803  -0.5605   1.9932
 L4S  O26  O  O     0  -0.472   -1.6273  -1.0780   1.5110
 L4S  O28  O  O2    0  -0.487    4.3421  -1.3357   0.3130
 L4S  O37  O  O     0  -0.500    5.9081   1.1612   0.8406
 L4S  H1   H  HCH2  0   0.229   -2.6465  -0.0144  -2.1028
 L4S  H2   H  HCH2  0   0.245   -2.2573  -1.6533  -1.6148
 L4S  H3   H  HCH2  0   0.251   -6.2966  -1.0819  -2.7274
 L4S  H4   H  HCH2  0   0.240   -5.7593  -2.3379  -1.6222
 L4S  H5   H  HCR6  0   0.271  -10.6329   0.6852   1.4189
 L4S  H6   H  HCR6  0   0.269  -11.0300   2.0061  -0.6204
 L4S  H7   H  HCR6  0   0.269   -7.1077   1.1082  -2.0135
 L4S  H8   H  HCH1  0   0.249    5.2317  -2.1591   3.3492
 L4S  H9   H  HCH1  0   0.264    3.1254  -2.3838   1.5868
 L4S  H10  H  HCH2  0   0.281    3.2251  -0.7405   3.4198
 L4S  H11  H  HCH2  0   0.299    4.3119   0.2958   2.4810
 L4S  H12  H  HCH2  0   0.285   -3.8262   0.5205   1.3326
 L4S  H13  H  HCH2  0   0.255   -3.1913   1.3108  -0.1020
 L4S  H14  H  HCR5  0   0.247   -3.8974  -1.6480   0.1208
 L4S  H15  H  HCH2  0   0.237   -4.1232  -0.8453  -3.6632
 L4S  H16  H  HCH2  0   0.238   -3.9229  -2.4869  -3.0872
 L4S  H17  H  HCR5  0   0.271   -5.2196   0.6504  -1.3629
 L4S  H18  H  HCR6  0   0.262   -9.2568   2.2144  -2.3466
 L4S  H19  H  HCR5  0   0.315    0.8130  -1.1950   2.1584
 L4S  H20  H  HCH1  0   0.244    5.8813  -2.4499  -0.4460
 L4S  H21  H  HCR6  0   0.318    6.6557  -1.8457  -2.2159
 L4S  H22  H  HCR6  0   0.289    7.5864  -0.1648  -3.7674
 L4S  H23  H  HCH2  0   0.278    6.5860  -0.7555   1.9717
 L4S  H24  H  HCH2  0   0.274    7.2228  -2.3315   1.4946
 L4S  H25  H  HNH1  0   0.416   -1.0848   1.6931   0.1273
 L4S  H26  H  HNH2  0   0.414    8.1127   2.2245  -4.0120
 L4S  H27  H  HNH2  0   0.403    7.7806   3.3736  -2.7696
 L4S  H28  H  HOH1  0   0.455    5.8750  -4.1639   2.3127
 L4S  H29  H  HOH1  0   0.479   -7.5734  -0.9464   1.9772
 L4S  O25  O  O     0  -0.460   -6.1455  -1.0888   1.1380

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
 L4S  C13  C14  single    1.543  0.020  1.543
 L4S  C13  C12  single    1.535  0.020  1.535
 L4S  C14  C15  single    1.537  0.020  1.537
 L4S  O25  C17  double    1.230  0.020  1.230
 L4S  O20  C19  single    1.330  0.020  1.330
 L4S  C38  C02  single    1.523  0.020  1.523
 L4S  C38  C29  single    1.524  0.020  1.524
 L4S  O37  C36  double    1.221  0.020  1.221
 L4S  C12  C11  single    1.524  0.020  1.524
 L4S  C12  C16  single    1.529  0.020  1.529
 L4S  O01  C02  single    1.410  0.020  1.410
 L4S  C02  C03  single    1.530  0.020  1.530
 L4S  C36  N35  single    1.350  0.020  1.350
 L4S  C36  N30  single    1.410  0.020  1.410
 L4S  C17  C16  single    1.505  0.020  1.505
 L4S  C17  C18  single    1.470  0.020  1.470
 L4S  N35  C33  double    1.318  0.020  1.318
 L4S  C11  C10  single    1.509  0.020  1.509
 L4S  C29  N30  single    1.454  0.020  1.454
 L4S  C29  O28  single    1.408  0.020  1.408
 L4S  C15  C16  single    1.539  0.020  1.539
 L4S  N30  C31  single    1.358  0.020  1.358
 L4S  C19  C18  aromatic  1.414  0.020  1.414
 L4S  C19  C21  aromatic  1.397  0.020  1.397
 L4S  C33  N34  single    1.332  0.020  1.332
 L4S  C33  C32  single    1.429  0.020  1.429
 L4S  C10  O26  double    1.220  0.020  1.220
 L4S  C10  N09  single    1.354  0.020  1.354
 L4S  C27  C08  aromatic  1.373  0.020  1.373
 L4S  C27  N05  aromatic  1.350  0.020  1.350
 L4S  C18  C24  aromatic  1.403  0.020  1.403
 L4S  C31  C32  double    1.346  0.020  1.346
 L4S  C21  C22  aromatic  1.380  0.020  1.380
 L4S  C03  C04  single    1.523  0.020  1.523
 L4S  C03  O28  single    1.417  0.020  1.417
 L4S  N09  C08  single    1.383  0.020  1.383
 L4S  C04  N05  single    1.448  0.020  1.448
 L4S  C08  N07  aromatic  1.346  0.020  1.346
 L4S  N05  N06  aromatic  1.312  0.020  1.312
 L4S  C24  C23  aromatic  1.378  0.020  1.378
 L4S  C22  C23  aromatic  1.395  0.020  1.395
 L4S  N07  N06  aromatic  1.292  0.020  1.292
 L4S  C13  H1   single    0.970  0.020  1.090
 L4S  C13  H2   single    0.970  0.020  1.090
 L4S  C15  H3   single    0.970  0.020  1.090
 L4S  C15  H4   single    0.970  0.020  1.090
 L4S  C21  H5   single    0.930  0.020  1.080
 L4S  C22  H6   single    0.930  0.020  1.080
 L4S  C24  H7   single    0.930  0.020  1.080
 L4S  C02  H8   single    0.970  0.020  1.090
 L4S  C03  H9   single    0.970  0.020  1.090
 L4S  C04  H10  single    0.970  0.020  1.090
 L4S  C04  H11  single    0.970  0.020  1.090
 L4S  C11  H12  single    0.970  0.020  1.090
 L4S  C11  H13  single    0.970  0.020  1.090
 L4S  C12  H14  single    0.970  0.020  1.090
 L4S  C14  H15  single    0.970  0.020  1.090
 L4S  C14  H16  single    0.970  0.020  1.090
 L4S  C16  H17  single    0.970  0.020  1.090
 L4S  C23  H18  single    0.930  0.020  1.080
 L4S  C27  H19  single    0.930  0.020  1.080
 L4S  C29  H20  single    0.970  0.020  1.090
 L4S  C31  H21  single    0.930  0.020  1.080
 L4S  C32  H22  single    0.930  0.020  1.080
 L4S  C38  H23  single    0.970  0.020  1.090
 L4S  C38  H24  single    0.970  0.020  1.090
 L4S  N09  H25  single    0.860  0.020  1.020
 L4S  N34  H26  single    0.860  0.020  1.020
 L4S  N34  H27  single    0.860  0.020  1.020
 L4S  O01  H28  single    0.850  0.020  0.980
 L4S  O20  H29  single    0.850  0.020  0.980

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
 L4S  O26  C10  N09  122.22  3.000
 L4S  N09  C10  C11  115.18  3.000
 L4S  O26  C10  C11  122.60  3.000
 L4S  H2   C13  H1   106.83  3.000
 L4S  H2   C13  C14  112.52  3.000
 L4S  H1   C13  C14  110.18  3.000
 L4S  H2   C13  C12  111.63  3.000
 L4S  H1   C13  C12  109.64  3.000
 L4S  C14  C13  C12  106.06  3.000
 L4S  H4   C15  H3   107.23  3.000
 L4S  H4   C15  C16  109.32  3.000
 L4S  H3   C15  C16  112.90  3.000
 L4S  H4   C15  C14  110.51  3.000
 L4S  H3   C15  C14  112.92  3.000
 L4S  C16  C15  C14  103.96  3.000
 L4S  O25  C17  C18  120.10  3.000
 L4S  C18  C17  C16  120.12  3.000
 L4S  O25  C17  C16  119.74  3.000
 L4S  H5   C21  C19  119.00  3.000
 L4S  H5   C21  C22  120.76  3.000
 L4S  C19  C21  C22  120.25  3.000
 L4S  H6   C22  C23  119.90  3.000
 L4S  H6   C22  C21  119.24  3.000
 L4S  C23  C22  C21  120.87  3.000
 L4S  H7   C24  C23  118.50  3.000
 L4S  H7   C24  C18  119.91  3.000
 L4S  C23  C24  C18  121.59  3.000
 L4S  H8   C02  O01  111.28  3.000
 L4S  H8   C02  C38  111.75  3.000
 L4S  O01  C02  C38  112.49  3.000
 L4S  H8   C02  C03  111.77  3.000
 L4S  O01  C02  C03  107.28  3.000
 L4S  C38  C02  C03  101.84  3.000
 L4S  H9   C03  O28  108.64  3.000
 L4S  H9   C03  C04  108.81  3.000
 L4S  O28  C03  C04  111.06  3.000
 L4S  H9   C03  C02  109.69  3.000
 L4S  O28  C03  C02  106.43  3.000
 L4S  C04  C03  C02  112.15  3.000
 L4S  H11  C04  H10  108.83  3.000
 L4S  H11  C04  N05  107.12  3.000
 L4S  H10  C04  N05  108.12  3.000
 L4S  H11  C04  C03  111.83  3.000
 L4S  H10  C04  C03  109.33  3.000
 L4S  N05  C04  C03  111.50  3.000
 L4S  N09  C08  N07  119.54  3.000
 L4S  N07  C08  C27  108.56  3.000
 L4S  N09  C08  C27  131.90  3.000
 L4S  H13  C11  H12  106.89  3.000
 L4S  H13  C11  C12  109.64  3.000
 L4S  H12  C11  C12  110.27  3.000
 L4S  H13  C11  C10  111.25  3.000
 L4S  H12  C11  C10  106.89  3.000
 L4S  C12  C11  C10  111.76  3.000
 L4S  H14  C12  C16  108.68  3.000
 L4S  H14  C12  C11  108.92  3.000
 L4S  C16  C12  C11  113.40  3.000
 L4S  H14  C12  C13  109.22  3.000
 L4S  C16  C12  C13  102.82  3.000
 L4S  C11  C12  C13  113.57  3.000
 L4S  H16  C14  H15  106.89  3.000
 L4S  H16  C14  C15  111.00  3.000
 L4S  H15  C14  C15  110.39  3.000
 L4S  H16  C14  C13  112.16  3.000
 L4S  H15  C14  C13  110.43  3.000
 L4S  C15  C14  C13  106.03  3.000
 L4S  H17  C16  C12  108.43  3.000
 L4S  H17  C16  C17  109.88  3.000
 L4S  C12  C16  C17  115.27  3.000
 L4S  H17  C16  C15  108.69  3.000
 L4S  C17  C16  C15  111.47  3.000
 L4S  C12  C16  C15  102.73  3.000
 L4S  C19  C18  C24  118.44  3.000
 L4S  C24  C18  C17  122.06  3.000
 L4S  C19  C18  C17  119.50  3.000
 L4S  O20  C19  C18  122.53  3.000
 L4S  C18  C19  C21  119.69  3.000
 L4S  O20  C19  C21  117.78  3.000
 L4S  H18  C23  C24  120.34  3.000
 L4S  H18  C23  C22  120.50  3.000
 L4S  C24  C23  C22  119.17  3.000
 L4S  H19  C27  N05  123.15  3.000
 L4S  H19  C27  C08  133.78  3.000
 L4S  N05  C27  C08  103.07  3.000
 L4S  H20  C29  O28  109.06  3.000
 L4S  H20  C29  N30  104.75  3.000
 L4S  O28  C29  N30  110.26  3.000
 L4S  H20  C29  C38  108.99  3.000
 L4S  O28  C29  C38  106.62  3.000
 L4S  N30  C29  C38  117.00  3.000
 L4S  H21  C31  N30  116.32  3.000
 L4S  H21  C31  C32  121.40  3.000
 L4S  N30  C31  C32  122.28  3.000
 L4S  H22  C32  C33  122.49  3.000
 L4S  H22  C32  C31  121.28  3.000
 L4S  C33  C32  C31  116.23  3.000
 L4S  N35  C33  N34  118.42  3.000
 L4S  N34  C33  C32  119.64  3.000
 L4S  N35  C33  C32  121.95  3.000
 L4S  O37  C36  N35  122.04  3.000
 L4S  N35  C36  N30  118.10  3.000
 L4S  O37  C36  N30  119.86  3.000
 L4S  H24  C38  H23  108.35  3.000
 L4S  H24  C38  C29  111.82  3.000
 L4S  H23  C38  C29  111.92  3.000
 L4S  H24  C38  C02  112.89  3.000
 L4S  H23  C38  C02  110.24  3.000
 L4S  C29  C38  C02  101.57  3.000
 L4S  N06  N05  C27  111.56  3.000
 L4S  N06  N05  C04  121.49  3.000
 L4S  C27  N05  C04  126.94  3.000
 L4S  N07  N06  N05  108.00  3.000
 L4S  N06  N07  C08  108.82  3.000
 L4S  H25  N09  C08  115.84  3.000
 L4S  H25  N09  C10  119.13  3.000
 L4S  C08  N09  C10  124.99  3.000
 L4S  C36  N30  C31  119.89  3.000
 L4S  C31  N30  C29  118.16  3.000
 L4S  C36  N30  C29  121.91  3.000
 L4S  H27  N34  H26  118.12  3.000
 L4S  H27  N34  C33  120.20  3.000
 L4S  H26  N34  C33  121.67  3.000
 L4S  C36  N35  C33  121.54  3.000
 L4S  H28  O01  C02  108.16  3.000
 L4S  H29  O20  C19  107.38  3.000
 L4S  C29  O28  C03  110.58  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
 L4S  CONST_01  C24  C18  C19  C21    0.00   0.0  0
 L4S  CONST_02  C24  C23  C22  C21    0.00   0.0  0
 L4S  CONST_03  C18  C19  C21  C22    0.00   0.0  0
 L4S  CONST_04  C18  C24  C23  C22    0.00   0.0  0
 L4S  CONST_05  N06  N05  C27  C08    0.00   0.0  0
 L4S  CONST_06  N05  N06  N07  C08    0.00   0.0  0
 L4S  CONST_07  C23  C24  C18  C19    0.00   0.0  0
 L4S  CONST_08  C23  C22  C21  C19    0.00   0.0  0
 L4S  CONST_09  N06  N07  C08  C27    0.00   0.0  0
 L4S  CONST_10  N07  N06  N05  C27    0.00   0.0  0
 L4S  CONST_11  N07  C08  C27  N05    0.00   0.0  0
 L4S  CONST_12  N35  C36  N30  C29  180.00   0.0  0
 L4S  CONST_13  N35  C36  N30  C31    0.00   0.0  0
 L4S  CONST_14  C36  N35  C33  C32    0.00   0.0  0
 L4S  CONST_15  N30  C36  N35  C33    0.00   0.0  0
 L4S  CONST_16  C21  C19  C18  C17  180.00   0.0  0
 L4S  CONST_17  C23  C24  C18  C17  180.00   0.0  0
 L4S  CONST_18  O20  C19  C21  C22  180.00   0.0  0
 L4S  CONST_19  O20  C19  C18  C24  180.00   0.0  0
 L4S  CONST_20  C08  C27  N05  C04  180.00   0.0  0
 L4S  CONST_21  N07  N06  N05  C04  180.00   0.0  0
 L4S  CONST_22  N09  C08  C27  N05  180.00   0.0  0
 L4S  CONST_23  N09  C08  N07  N06  180.00   0.0  0
 L4S  CONST_24  O37  C36  N30  C29    0.00   0.0  0
 L4S  CONST_25  O37  C36  N30  C31  180.00   0.0  0
 L4S  CONST_26  O37  C36  N35  C33  180.00   0.0  0
 L4S  CONST_27  N34  C33  N35  C36  180.00   0.0  0
 L4S  CONST_28  H18  C23  C22  C21  180.00   0.0  0
 L4S  CONST_29  H7   C24  C23  C22  180.00   0.0  0
 L4S  CONST_30  H6   C22  C23  C24  180.00   0.0  0
 L4S  CONST_31  H5   C21  C19  C18  180.00   0.0  0
 L4S  CONST_32  H19  C27  N05  N06  180.00   0.0  0
 L4S  CONST_33  C27  C08  N09  C10    0.00   0.0  0
 L4S  CONST_34  N07  C08  N09  C10  180.00   0.0  0
 L4S  CONST_35  H25  N09  C08  C27  180.00   0.0  0
 L4S  CONST_36  H26  N34  C33  C32    0.00   0.0  0
 L4S  CONST_37  H27  N34  C33  C32  180.00   0.0  0
 L4S  CONST_38  C11  C10  N09  C08  180.00   0.0  0
 L4S  CONST_39  O26  C10  N09  C08    0.00   0.0  0
 L4S  Var_01    C16  C15  C14  C13   20.64  30.0  1
 L4S  Var_02    C12  C13  C14  C15    5.50  30.0  1
 L4S  Var_03    C16  C17  C18  C24   -1.61  30.0  2
 L4S  Var_04    C27  N05  C04  C03   70.10  30.0  2
 L4S  Var_05    O26  C10  C11  C12  -55.43  30.0  3

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
 L4S  chir_01  C02  C38  O01  C03  positiv
 L4S  chir_02  C03  O28  C02  C04  negativ
 L4S  chir_03  C12  C13  C11  C16  negativ
 L4S  chir_04  C16  C15  C17  C12  negativ
 L4S  chir_05  C29  C38  N30  O28  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
 L4S  plan-1  C04  0.020
 L4S  plan-1  C08  0.020
 L4S  plan-1  C27  0.020
 L4S  plan-1  N05  0.020
 L4S  plan-1  N06  0.020
 L4S  plan-1  N07  0.020
 L4S  plan-1  N09  0.020
 L4S  plan-1  H19  0.020
 L4S  plan-2  C17  0.020
 L4S  plan-2  C21  0.020
 L4S  plan-2  C22  0.020
 L4S  plan-2  C24  0.020
 L4S  plan-2  C18  0.020
 L4S  plan-2  C19  0.020
 L4S  plan-2  C23  0.020
 L4S  plan-2  O20  0.020
 L4S  plan-2  H5   0.020
 L4S  plan-2  H6   0.020
 L4S  plan-2  H7   0.020
 L4S  plan-2  H18  0.020
 L4S  plan-3  C29  0.020
 L4S  plan-3  C31  0.020
 L4S  plan-3  C32  0.020
 L4S  plan-3  C33  0.020
 L4S  plan-3  C36  0.020
 L4S  plan-3  N30  0.020
 L4S  plan-3  N34  0.020
 L4S  plan-3  N35  0.020
 L4S  plan-3  O37  0.020
 L4S  plan-3  H21  0.020
 L4S  plan-3  H22  0.020
 L4S  plan-3  H26  0.020
 L4S  plan-3  H27  0.020
 L4S  plan-4  C10  0.020
 L4S  plan-4  C08  0.020
 L4S  plan-4  C11  0.020
 L4S  plan-4  N09  0.020
 L4S  plan-4  O26  0.020
 L4S  plan-4  H25  0.020
 L4S  plan-5  C17  0.020
 L4S  plan-5  C16  0.020
 L4S  plan-5  C18  0.020
 L4S  plan-5  O25  0.020

