# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Apr  9 06:49:25 2020
#   Inital geometry file: a 146 line input string
#   Ligand name: 1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: O=C(Nc1cccnc1)c2ccc3n(CC4CCN(CC4)C(=O)c5ccccc5)cnc3c2
#
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
 2HL  2HL  1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide  ligand  58  33  .  2021-08-04  2021-08-04  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_2HL
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
 2HL  C1   C  CR16  0  -0.254    9.0812  -1.8519   0.8759
 2HL  C2   C  CR16  0  -0.244    8.2227  -2.5965   0.0775
 2HL  C3   C  CR16  0  -0.259    7.1169  -1.9940  -0.5053
 2HL  C4   C  CR6   0  -0.069    6.8723  -0.6377  -0.3054
 2HL  C5   C  CR16  0  -0.273    7.7482   0.1107   0.4754
 2HL  C6   C  CR16  0  -0.246    8.8397  -0.4989   1.0773
 2HL  C7   C  C     0   0.515    5.7520   0.0591  -1.0123
 2HL  O8   O  O     0  -0.487    6.0040   1.0248  -1.7216
 2HL  N9   N  NT    0  -0.440    4.5088  -0.4484  -0.8700
 2HL  C10  C  CH2   0  -0.326    4.0769  -1.2562   0.2610
 2HL  C11  C  CH2   0  -0.415    3.2550  -0.4157   1.2321
 2HL  C12  C  CH1   0  -0.271    2.0806   0.2686   0.5352
 2HL  C13  C  CH2   0  -0.428    2.5649   1.0414  -0.6891
 2HL  C14  C  CH2   0  -0.321    3.3970   0.1445  -1.5954
 2HL  C15  C  CH2   0  -0.309    1.3432   1.1574   1.5312
 2HL  N16  N  NR5   0  -0.508    0.1837   1.8134   0.9641
 2HL  C17  C  CR15  0   0.106    0.1038   3.1084   0.5574
 2HL  N18  N  N     0  -0.464   -1.0483   3.4360   0.0504
 2HL  C19  C  CR56  0   0.151   -1.7942   2.2832   0.1172
 2HL  C20  C  CR56  0   0.350   -1.0309   1.2498   0.6890
 2HL  C21  C  CR16  0  -0.283   -1.5414  -0.0286   0.8835
 2HL  C22  C  CR16  0  -0.314   -2.8510  -0.2426   0.5010
 2HL  C23  C  CR6   0  -0.066   -3.6366   0.7804  -0.0672
 2HL  C24  C  CR16  0  -0.342   -3.1049   2.0460  -0.2762
 2HL  C25  C  C     0   0.540   -5.0456   0.5546  -0.4983
 2HL  O26  O  O     0  -0.461   -5.5599   1.2232  -1.3779
 2HL  N27  N  NH1   0  -0.761   -5.7075  -0.4269   0.1730
 2HL  C28  C  CR6   0   0.290   -7.0168  -0.8641  -0.0141
 2HL  C29  C  CR16  0  -0.207   -7.8219  -0.5643  -1.1114
 2HL  C30  C  CR16  0  -0.314   -9.1011  -1.0976  -1.1503
 2HL  C31  C  CR16  0  -0.085   -9.5399  -1.9064  -0.1158
 2HL  N32  N  N     0  -0.389   -8.7739  -2.2008   0.9292
 2HL  C33  C  CR16  0  -0.147   -7.5559  -1.6935   0.9752
 2HL  H1   H  HCR6  0   0.262    9.9386  -2.3245   1.3369
 2HL  H2   H  HCR6  0   0.262    8.4131  -3.6482  -0.0924
 2HL  H3   H  HCR6  0   0.267    6.4498  -2.5807  -1.1249
 2HL  H4   H  HCR6  0   0.261    7.5710   1.1682   0.6254
 2HL  H5   H  HCR6  0   0.262    9.5059   0.0851   1.6985
 2HL  H6   H  HCH2  0   0.248    3.4793  -2.0913  -0.1160
 2HL  H7   H  HCH2  0   0.278    4.9340  -1.6808   0.7752
 2HL  H8   H  HCH2  0   0.251    2.8938  -1.0589   2.0382
 2HL  H9   H  HCH2  0   0.230    3.9069   0.3346   1.6925
 2HL  H10  H  HCH1  0   0.243    1.3948  -0.5161   0.1917
 2HL  H11  H  HCH2  0   0.250    1.7199   1.4311  -1.2619
 2HL  H12  H  HCH2  0   0.231    3.1655   1.9023  -0.3769
 2HL  H13  H  HCH2  0   0.267    3.7706   0.6945  -2.4548
 2HL  H14  H  HCH2  0   0.248    2.7773  -0.6736  -1.9751
 2HL  H15  H  HCH2  0   0.277    1.0225   0.5759   2.3979
 2HL  H16  H  HCH2  0   0.273    2.0073   1.9389   1.9041
 2HL  H17  H  HCR5  0   0.295    0.9464   3.7758   0.6703
 2HL  H18  H  HCR6  0   0.278   -0.9536  -0.8310   1.3087
 2HL  H19  H  HCR6  0   0.262   -3.2539  -1.2403   0.6209
 2HL  H20  H  HCR6  0   0.264   -3.6965   2.8350  -0.7216
 2HL  H21  H  HNH1  0   0.421   -5.2432  -0.8234   0.9758
 2HL  H22  H  HCR6  0   0.292   -7.4736   0.0612  -1.9166
 2HL  H23  H  HCR6  0   0.274   -9.7532  -0.8825  -1.9858
 2HL  H24  H  HCR6  0   0.264  -10.5363  -2.3323  -0.1291
 2HL  H25  H  HCR6  0   0.272   -6.9526  -1.9534   1.8414

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
 2HL  O8   C7   double    1.224  0.020  1.224
 2HL  C3   C2   aromatic  1.388  0.020  1.388
 2HL  C3   C4   aromatic  1.393  0.020  1.393
 2HL  C2   C1   aromatic  1.389  0.020  1.389
 2HL  C1   C6   aromatic  1.389  0.020  1.389
 2HL  C4   C7   single    1.497  0.020  1.497
 2HL  C4   C5   aromatic  1.392  0.020  1.392
 2HL  C7   N9   single    1.350  0.020  1.350
 2HL  C6   C5   aromatic  1.388  0.020  1.388
 2HL  C10  N9   single    1.455  0.020  1.455
 2HL  C10  C11  single    1.525  0.020  1.525
 2HL  N9   C14  single    1.454  0.020  1.454
 2HL  C11  C12  single    1.527  0.020  1.527
 2HL  C14  C13  single    1.523  0.020  1.523
 2HL  C12  C13  single    1.527  0.020  1.527
 2HL  C12  C15  single    1.525  0.020  1.525
 2HL  C17  N18  aromatic  1.301  0.020  1.301
 2HL  C17  N16  aromatic  1.360  0.020  1.360
 2HL  C15  N16  single    1.448  0.020  1.448
 2HL  N18  C19  aromatic  1.375  0.020  1.375
 2HL  N16  C20  aromatic  1.367  0.020  1.367
 2HL  C19  C20  aromatic  1.406  0.020  1.406
 2HL  C19  C24  aromatic  1.389  0.020  1.389
 2HL  C20  C21  aromatic  1.390  0.020  1.390
 2HL  C24  C23  aromatic  1.389  0.020  1.389
 2HL  C21  C22  aromatic  1.381  0.020  1.381
 2HL  C23  C22  aromatic  1.409  0.020  1.409
 2HL  C23  C25  single    1.491  0.020  1.491
 2HL  O26  C25  double    1.219  0.020  1.219
 2HL  C25  N27  single    1.361  0.020  1.361
 2HL  N27  C28  single    1.393  0.020  1.393
 2HL  C28  C33  aromatic  1.399  0.020  1.399
 2HL  C28  C29  aromatic  1.394  0.020  1.394
 2HL  C33  N32  aromatic  1.320  0.020  1.320
 2HL  C29  C30  aromatic  1.387  0.020  1.387
 2HL  N32  C31  aromatic  1.329  0.020  1.329
 2HL  C30  C31  aromatic  1.384  0.020  1.384
 2HL  C1   H1   single    0.930  0.020  1.080
 2HL  C2   H2   single    0.930  0.020  1.080
 2HL  C3   H3   single    0.930  0.020  1.080
 2HL  C5   H4   single    0.930  0.020  1.080
 2HL  C6   H5   single    0.930  0.020  1.080
 2HL  C10  H6   single    0.970  0.020  1.090
 2HL  C10  H7   single    0.970  0.020  1.090
 2HL  C11  H8   single    0.970  0.020  1.090
 2HL  C11  H9   single    0.970  0.020  1.090
 2HL  C12  H10  single    0.970  0.020  1.090
 2HL  C13  H11  single    0.970  0.020  1.090
 2HL  C13  H12  single    0.970  0.020  1.090
 2HL  C14  H13  single    0.970  0.020  1.090
 2HL  C14  H14  single    0.970  0.020  1.090
 2HL  C15  H15  single    0.970  0.020  1.090
 2HL  C15  H16  single    0.970  0.020  1.090
 2HL  C17  H17  single    0.930  0.020  1.080
 2HL  C21  H18  single    0.930  0.020  1.080
 2HL  C22  H19  single    0.930  0.020  1.080
 2HL  C24  H20  single    0.930  0.020  1.080
 2HL  N27  H21  single    0.860  0.020  1.020
 2HL  C29  H22  single    0.930  0.020  1.080
 2HL  C30  H23  single    0.930  0.020  1.080
 2HL  C31  H24  single    0.930  0.020  1.080
 2HL  C33  H25  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
 2HL  H1   C1   C6   120.09  3.000
 2HL  H1   C1   C2   120.03  3.000
 2HL  C6   C1   C2   119.87  3.000
 2HL  H2   C2   C3   119.75  3.000
 2HL  H2   C2   C1   120.17  3.000
 2HL  C3   C2   C1   120.08  3.000
 2HL  H3   C3   C4   120.10  3.000
 2HL  H3   C3   C2   119.72  3.000
 2HL  C4   C3   C2   120.17  3.000
 2HL  C7   C4   C5   119.06  3.000
 2HL  C5   C4   C3   119.58  3.000
 2HL  C7   C4   C3   121.14  3.000
 2HL  H4   C5   C6   119.85  3.000
 2HL  H4   C5   C4   120.00  3.000
 2HL  C6   C5   C4   120.15  3.000
 2HL  H5   C6   C5   119.76  3.000
 2HL  H5   C6   C1   120.12  3.000
 2HL  C5   C6   C1   120.12  3.000
 2HL  N9   C7   O8   123.16  3.000
 2HL  N9   C7   C4   117.67  3.000
 2HL  O8   C7   C4   119.13  3.000
 2HL  C14  N9   C10  112.77  3.000
 2HL  C14  N9   C7   119.88  3.000
 2HL  C10  N9   C7   124.32  3.000
 2HL  H7   C10  H6   107.21  3.000
 2HL  H7   C10  C11  109.84  3.000
 2HL  H6   C10  C11  110.23  3.000
 2HL  H7   C10  N9   110.53  3.000
 2HL  H6   C10  N9   108.55  3.000
 2HL  C11  C10  N9   110.42  3.000
 2HL  H9   C11  H8   106.85  3.000
 2HL  H9   C11  C12  110.02  3.000
 2HL  H8   C11  C12  110.25  3.000
 2HL  H9   C11  C10  108.93  3.000
 2HL  H8   C11  C10  108.88  3.000
 2HL  C12  C11  C10  111.76  3.000
 2HL  H10  C12  C15  108.61  3.000
 2HL  H10  C12  C13  108.01  3.000
 2HL  C15  C12  C13  112.46  3.000
 2HL  H10  C12  C11  107.63  3.000
 2HL  C15  C12  C11  109.57  3.000
 2HL  C13  C12  C11  110.41  3.000
 2HL  H12  C13  H11  107.05  3.000
 2HL  H12  C13  C14  109.45  3.000
 2HL  H11  C13  C14  108.71  3.000
 2HL  H12  C13  C12  110.07  3.000
 2HL  H11  C13  C12  110.83  3.000
 2HL  C14  C13  C12  110.64  3.000
 2HL  H14  C14  H13  107.37  3.000
 2HL  H14  C14  C13  109.72  3.000
 2HL  H13  C14  C13  111.13  3.000
 2HL  H14  C14  N9   107.53  3.000
 2HL  H13  C14  N9   109.76  3.000
 2HL  C13  C14  N9   111.17  3.000
 2HL  H16  C15  H15  106.79  3.000
 2HL  H16  C15  N16  107.26  3.000
 2HL  H15  C15  N16  108.48  3.000
 2HL  H16  C15  C12  110.27  3.000
 2HL  H15  C15  C12  110.49  3.000
 2HL  N16  C15  C12  113.30  3.000
 2HL  C20  N16  C17  106.28  3.000
 2HL  C20  N16  C15  127.13  3.000
 2HL  C17  N16  C15  126.56  3.000
 2HL  H17  C17  N18  125.15  3.000
 2HL  H17  C17  N16  120.74  3.000
 2HL  N18  C17  N16  114.11  3.000
 2HL  C19  N18  C17  104.50  3.000
 2HL  C24  C19  C20  120.13  3.000
 2HL  C24  C19  N18  129.90  3.000
 2HL  C20  C19  N18  109.97  3.000
 2HL  C21  C20  C19  122.23  3.000
 2HL  C21  C20  N16  132.63  3.000
 2HL  C19  C20  N16  105.14  3.000
 2HL  H18  C21  C22  120.61  3.000
 2HL  H18  C21  C20  122.52  3.000
 2HL  C22  C21  C20  116.87  3.000
 2HL  H19  C22  C23  120.40  3.000
 2HL  H19  C22  C21  117.71  3.000
 2HL  C23  C22  C21  121.85  3.000
 2HL  C25  C23  C24  117.17  3.000
 2HL  C25  C23  C22  122.24  3.000
 2HL  C24  C23  C22  120.58  3.000
 2HL  H20  C24  C23  121.14  3.000
 2HL  H20  C24  C19  120.54  3.000
 2HL  C23  C24  C19  118.32  3.000
 2HL  N27  C25  O26  123.13  3.000
 2HL  N27  C25  C23  115.24  3.000
 2HL  O26  C25  C23  121.63  3.000
 2HL  H21  N27  C28  114.60  3.000
 2HL  H21  N27  C25  116.89  3.000
 2HL  C28  N27  C25  128.11  3.000
 2HL  C33  C28  C29  117.50  3.000
 2HL  C29  C28  N27  125.54  3.000
 2HL  C33  C28  N27  116.95  3.000
 2HL  H22  C29  C30  120.03  3.000
 2HL  H22  C29  C28  121.78  3.000
 2HL  C30  C29  C28  118.19  3.000
 2HL  H23  C30  C31  120.16  3.000
 2HL  H23  C30  C29  120.10  3.000
 2HL  C31  C30  C29  119.75  3.000
 2HL  H24  C31  N32  116.91  3.000
 2HL  H24  C31  C30  120.79  3.000
 2HL  N32  C31  C30  122.30  3.000
 2HL  C33  N32  C31  118.30  3.000
 2HL  H25  C33  N32  116.60  3.000
 2HL  H25  C33  C28  119.43  3.000
 2HL  N32  C33  C28  123.97  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
 2HL  CONST_01  C4   C3   C2   C1      0.00   0.0  0
 2HL  CONST_02  C4   C5   C6   C1      0.00   0.0  0
 2HL  CONST_03  C5   C4   C3   C2      0.00   0.0  0
 2HL  CONST_04  C5   C6   C1   C2      0.00   0.0  0
 2HL  CONST_05  C6   C1   C2   C3      0.00   0.0  0
 2HL  CONST_06  C6   C5   C4   C3      0.00   0.0  0
 2HL  CONST_07  C19  N18  C17  N16     0.00   0.0  0
 2HL  CONST_08  N18  C19  C20  N16     0.00   0.0  0
 2HL  CONST_09  C24  C19  C20  N16   180.00   0.0  0
 2HL  CONST_10  C22  C21  C20  N16   180.00   0.0  0
 2HL  CONST_11  C20  C19  N18  C17     0.00   0.0  0
 2HL  CONST_12  C24  C19  N18  C17   180.00   0.0  0
 2HL  CONST_13  C19  C20  N16  C17     0.00   0.0  0
 2HL  CONST_14  C21  C20  N16  C17   180.00   0.0  0
 2HL  CONST_15  C20  N16  C17  N18     0.00   0.0  0
 2HL  CONST_16  C21  C20  C19  N18   180.00   0.0  0
 2HL  CONST_17  C23  C24  C19  N18   180.00   0.0  0
 2HL  CONST_18  C22  C21  C20  C19     0.00   0.0  0
 2HL  CONST_19  C22  C23  C24  C19     0.00   0.0  0
 2HL  CONST_20  C23  C24  C19  C20     0.00   0.0  0
 2HL  CONST_21  C23  C22  C21  C20     0.00   0.0  0
 2HL  CONST_22  C24  C19  C20  C21     0.00   0.0  0
 2HL  CONST_23  C24  C23  C22  C21     0.00   0.0  0
 2HL  CONST_24  C31  N32  C33  C28     0.00   0.0  0
 2HL  CONST_25  C31  C30  C29  C28     0.00   0.0  0
 2HL  CONST_26  N32  C33  C28  C29     0.00   0.0  0
 2HL  CONST_27  N32  C31  C30  C29     0.00   0.0  0
 2HL  CONST_28  C33  C28  C29  C30     0.00   0.0  0
 2HL  CONST_29  C33  N32  C31  C30     0.00   0.0  0
 2HL  CONST_30  C7   C4   C3   C2    180.00   0.0  0
 2HL  CONST_31  C7   C4   C5   C6    180.00   0.0  0
 2HL  CONST_32  N18  C17  N16  C15   180.00   0.0  0
 2HL  CONST_33  C19  C20  N16  C15   180.00   0.0  0
 2HL  CONST_34  C21  C20  N16  C15     0.00   0.0  0
 2HL  CONST_35  C25  C23  C24  C19   180.00   0.0  0
 2HL  CONST_36  C25  C23  C22  C21   180.00   0.0  0
 2HL  CONST_37  N32  C33  C28  N27   180.00   0.0  0
 2HL  CONST_38  C30  C29  C28  N27   180.00   0.0  0
 2HL  CONST_40  C14  N9   C7   C4    180.00   0.0  0
 2HL  CONST_41  H3   C3   C2   C1    180.00   0.0  0
 2HL  CONST_42  H4   C5   C6   C1    180.00   0.0  0
 2HL  CONST_43  H5   C6   C1   C2    180.00   0.0  0
 2HL  CONST_44  H1   C1   C2   C3    180.00   0.0  0
 2HL  CONST_45  H2   C2   C3   C4    180.00   0.0  0
 2HL  CONST_46  H18  C21  C20  N16     0.00   0.0  0
 2HL  CONST_47  H20  C24  C19  N18     0.00   0.0  0
 2HL  CONST_48  H17  C17  N18  C19   180.00   0.0  0
 2HL  CONST_49  H19  C22  C21  C20   180.00   0.0  0
 2HL  CONST_50  H23  C30  C29  C28   180.00   0.0  0
 2HL  CONST_51  H25  C33  C28  C29   180.00   0.0  0
 2HL  CONST_52  H24  C31  C30  C29   180.00   0.0  0
 2HL  CONST_53  H22  C29  C30  C31   180.00   0.0  0
 2HL  CONST_55  C14  N9   C7   O8      0.00   0.0  0
 2HL  CONST_56  C28  N27  C25  C23   180.00   0.0  0
 2HL  CONST_57  C33  C28  N27  C25   180.00   0.0  0
 2HL  CONST_58  C29  C28  N27  C25     0.00   0.0  0
 2HL  CONST_59  H21  N27  C28  C29   180.00   0.0  0
 2HL  CONST_60  C28  N27  C25  O26     0.00   0.0  0
 2HL  Var_01    C12  C11  C10  N9     54.58  30.0  1
 2HL  Var_02    C12  C13  C14  N9    -55.73  30.0  1
 2HL  Var_03    C13  C14  N9   C10    59.41  30.0  1
 2HL  Var_04    C14  N9   C10  C11   -58.28  30.0  1
 2HL  Var_05    N9   C7   C4   C3     55.51  30.0  2
 2HL  Var_06    C17  N16  C15  C12  -101.94  30.0  2
 2HL  Var_07    O26  C25  C23  C22  -153.52  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
 2HL  chir_01  C12  C11  C13  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
 2HL  plan-1  C1   0.020
 2HL  plan-1  C2   0.020
 2HL  plan-1  C3   0.020
 2HL  plan-1  C4   0.020
 2HL  plan-1  C5   0.020
 2HL  plan-1  C6   0.020
 2HL  plan-1  C7   0.020
 2HL  plan-1  H1   0.020
 2HL  plan-1  H2   0.020
 2HL  plan-1  H3   0.020
 2HL  plan-1  H4   0.020
 2HL  plan-1  H5   0.020
 2HL  plan-2  N27  0.020
 2HL  plan-2  C28  0.020
 2HL  plan-2  C29  0.020
 2HL  plan-2  C30  0.020
 2HL  plan-2  C31  0.020
 2HL  plan-2  N32  0.020
 2HL  plan-2  C33  0.020
 2HL  plan-2  H22  0.020
 2HL  plan-2  H23  0.020
 2HL  plan-2  H24  0.020
 2HL  plan-2  H25  0.020
 2HL  plan-3  C15  0.020
 2HL  plan-3  N16  0.020
 2HL  plan-3  C17  0.020
 2HL  plan-3  N18  0.020
 2HL  plan-3  C19  0.020
 2HL  plan-3  C20  0.020
 2HL  plan-3  C21  0.020
 2HL  plan-3  C22  0.020
 2HL  plan-3  C23  0.020
 2HL  plan-3  C24  0.020
 2HL  plan-3  C25  0.020
 2HL  plan-3  H17  0.020
 2HL  plan-3  H18  0.020
 2HL  plan-3  H19  0.020
 2HL  plan-3  H20  0.020
 2HL  plan-4  C23  0.020
 2HL  plan-4  C25  0.020
 2HL  plan-4  O26  0.020
 2HL  plan-4  N27  0.020
 2HL  plan-4  C28  0.020
 2HL  plan-4  H21  0.020
 2HL  plan-5  C4   0.020
 2HL  plan-5  C7   0.020
 2HL  plan-5  O8   0.020
 2HL  plan-5  N9   0.020
 2HL  plan-5  C10  0.020
 2HL  plan-5  C14  0.020

