# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Apr  9 05:48:11 2020
#   Inital geometry file: a 153 line input string
#   Ligand name: (3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl methylcarbamate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CNC(=O)O[C@H]1COc2ccc(cc2[C@@H]1NC(=O)c3ccc(F)cc3)N4CCN(CC4)C5COC5
#
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
 2FZ  2FZ  '(3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl methylcarbamate'  ligand  64  35  .  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_2FZ
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
 2FZ  C7   C  CR16  0  -0.374  -0.5397   1.3092  -0.0220
 2FZ  C6   C  CR16  0  -0.397   2.5988  -4.1895   1.4409
 2FZ  C1   C  CR16  0  -0.249   1.5973  -3.7527  -1.1165
 2FZ  C5   C  CR16  0  -0.398   1.6274  -5.0392  -0.6067
 2FZ  C4   C  CR16  0  -0.349  -0.2466   3.8718   0.9377
 2FZ  C3   C  CR16  0  -0.346  -1.5042   3.2912   0.8953
 2FZ  C2   C  CR16  0  -0.272   2.5489  -2.9058   0.9201
 2FZ  C8   C  CR6   0  -0.061   2.0414  -2.6725  -0.3564
 2FZ  C9   C  CR6   0  -0.004   0.7239   1.8811   0.0020
 2FZ  C10  C  CR6   0   0.360  -1.6777   1.9926   0.4103
 2FZ  C11  C  CR6   0   0.355   0.8695   3.1813   0.4877
 2FZ  C12  C  CR6   0   0.533   2.1294  -5.2331   0.6671
 2FZ  C14  C  C     0   0.756   5.4778   1.0926  -0.0670
 2FZ  C15  C  CH2   0  -0.315  -4.0195   1.9785   1.0802
 2FZ  C16  C  CH2   0  -0.308  -3.3474   0.8504  -0.9267
 2FZ  C17  C  CH2   0  -0.289  -5.1758   1.0059   1.2168
 2FZ  C18  C  CH2   0  -0.293  -4.5149  -0.1034  -0.7751
 2FZ  C19  C  C     0  -0.138  -7.5065  -0.5932  -1.2955
 2FZ  C20  C  C     0  -0.137  -8.0694   0.3422   0.4460
 2FZ  C21  C  CH2   0  -0.206   3.1293   3.2493  -0.1762
 2FZ  C22  C  CH1   0  -0.123   1.9280   1.1010  -0.4824
 2FZ  C23  C  C     0  -0.181  -6.7582  -0.3226   0.0141
 2FZ  C24  C  CH1   0   0.004   3.2005   1.7473   0.0492
 2FZ  N26  N  NT    0  -0.518  -2.9226   1.3477   0.3751
 2FZ  N27  N  NT    0  -0.431  -5.6149   0.5468  -0.0871
 2FZ  N28  N  NH1   0  -0.658   1.8641  -0.2876  -0.1050
 2FZ  N29  N  NH1   0  -0.655   6.3696   0.4926  -0.8631
 2FZ  O30  O  O     0  -0.477   2.0723  -1.1648  -2.1813
 2FZ  O31  O  O     0  -0.514   5.7050   1.5061   1.0511
 2FZ  O32  O  O2    0  -0.482   2.0700   3.8094   0.5735
 2FZ  O33  O  O     0  -0.513  -8.7216  -0.0471  -0.7684
 2FZ  O34  O  O2    0  -0.497   4.2806   1.1888  -0.6763
 2FZ  F35  F  F     0  -0.307   2.1673  -6.4757   1.1635
 2FZ  H1   H  HCR6  0   0.257  -0.6361   0.2852  -0.3630
 2FZ  H3   H  HCR6  0   0.273   1.2145  -3.5885  -2.1145
 2FZ  H4   H  HCR6  0   0.287   1.2719  -5.8778  -1.1905
 2FZ  H5   H  HCR6  0   0.264  -0.1304   4.8785   1.3198
 2FZ  H6   H  HCR6  0   0.270  -2.3470   3.8746   1.2402
 2FZ  H7   H  HCR6  0   0.268   2.9414  -2.0962   1.5223
 2FZ  H8   H  HCH2  0   0.211  -4.3708   2.8887   0.5703
 2FZ  H9   H  HCH2  0   0.252  -3.6909   2.2676   2.0797
 2FZ  H10  H  HCH2  0   0.254  -2.5282   0.3225  -1.4119
 2FZ  H11  H  HCH2  0   0.215  -3.6384   1.6808  -1.5878
 2FZ  H12  H  HCH2  0   0.202  -4.8676   0.1655   1.8615
 2FZ  H13  H  HCH2  0   0.246  -5.9995   1.5154   1.7213
 2FZ  H14  H  HCH2  0   0.246  -4.8409  -0.4155  -1.7702
 2FZ  H15  H  HCH2  0   0.203  -4.1801  -1.0079  -0.2401
 2FZ  H16  H  H     0   0.211  -7.1296  -0.0223  -2.1505
 2FZ  H17  H  H     0   0.223  -7.6104  -1.6416  -1.5851
 2FZ  H18  H  H     0   0.223  -8.5530  -0.0752   1.3325
 2FZ  H19  H  H     0   0.211  -8.0049   1.4298   0.5550
 2FZ  H20  H  HCH2  0   0.261   4.0417   3.7394   0.1621
 2FZ  H21  H  HCH2  0   0.236   3.0009   3.4622  -1.2448
 2FZ  H22  H  HCH1  0   0.294   1.9528   1.1388  -1.5748
 2FZ  H23  H  H     0   0.237  -6.5330  -1.2411   0.5788
 2FZ  H24  H  HCH1  0   0.267   3.3024   1.5432   1.1195
 2FZ  H25  H  HCH3  0   0.254   8.2769  -0.1712  -1.2678
 2FZ  H26  H  HCH3  0   0.241   8.2193   1.1655  -0.1224
 2FZ  H27  H  HCH3  0   0.237   7.7695  -0.4645   0.3964
 2FZ  H29  H  HNH1  0   0.410   1.6967  -0.4866   0.8690
 2FZ  H30  H  HNH1  0   0.406   6.0705   0.1348  -1.7547
 2FZ  C13  C  C     0   0.553   2.0011  -1.3122  -0.9712
 2FZ  H2   H  HCR6  0   0.289   3.0038  -4.3740   2.4268
 2FZ  C25  C  CH3   0  -0.512   7.7243   0.2452  -0.4308

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
 2FZ  C17  C15  single    1.517  0.020  1.517
 2FZ  C17  N27  single    1.450  0.020  1.450
 2FZ  O30  C13  double    1.221  0.020  1.221
 2FZ  C20  C23  single    1.532  0.020  1.532
 2FZ  C20  O33  single    1.432  0.020  1.432
 2FZ  C15  N26  single    1.448  0.020  1.448
 2FZ  C23  N27  single    1.440  0.020  1.440
 2FZ  C23  C19  single    1.532  0.020  1.532
 2FZ  N29  C25  single    1.443  0.020  1.443
 2FZ  N29  C14  single    1.338  0.020  1.338
 2FZ  O34  C14  single    1.347  0.020  1.347
 2FZ  O34  C24  single    1.416  0.020  1.416
 2FZ  N27  C18  single    1.451  0.020  1.451
 2FZ  O33  C19  single    1.433  0.020  1.433
 2FZ  N26  C10  single    1.402  0.020  1.402
 2FZ  N26  C16  single    1.457  0.020  1.457
 2FZ  C7   C10  aromatic  1.396  0.020  1.396
 2FZ  C7   C9   aromatic  1.387  0.020  1.387
 2FZ  C13  N28  single    1.349  0.020  1.349
 2FZ  C13  C8   single    1.493  0.020  1.493
 2FZ  C22  C9   single    1.514  0.020  1.514
 2FZ  C22  C24  single    1.523  0.020  1.523
 2FZ  C22  N28  single    1.440  0.020  1.440
 2FZ  C21  C24  single    1.520  0.020  1.520
 2FZ  C21  O32  single    1.414  0.020  1.414
 2FZ  C10  C3   aromatic  1.397  0.020  1.397
 2FZ  C14  O31  double    1.214  0.020  1.214
 2FZ  C9   C11  aromatic  1.396  0.020  1.396
 2FZ  C1   C8   aromatic  1.393  0.020  1.393
 2FZ  C1   C5   aromatic  1.384  0.020  1.384
 2FZ  C18  C16  single    1.515  0.020  1.515
 2FZ  C3   C4   aromatic  1.386  0.020  1.386
 2FZ  C11  C4   aromatic  1.387  0.020  1.387
 2FZ  C11  O32  single    1.358  0.020  1.358
 2FZ  C8   C2   aromatic  1.393  0.020  1.393
 2FZ  C5   C12  aromatic  1.383  0.020  1.383
 2FZ  C2   C6   aromatic  1.386  0.020  1.386
 2FZ  C12  C6   aromatic  1.381  0.020  1.381
 2FZ  C12  F35  single    1.339  0.020  1.339
 2FZ  C7   H1   single    0.930  0.020  1.080
 2FZ  C6   H2   single    0.930  0.020  1.080
 2FZ  C1   H3   single    0.930  0.020  1.080
 2FZ  C5   H4   single    0.930  0.020  1.080
 2FZ  C4   H5   single    0.930  0.020  1.080
 2FZ  C3   H6   single    0.930  0.020  1.080
 2FZ  C2   H7   single    0.930  0.020  1.080
 2FZ  C15  H8   single    0.970  0.020  1.090
 2FZ  C15  H9   single    0.970  0.020  1.090
 2FZ  C16  H10  single    0.970  0.020  1.090
 2FZ  C16  H11  single    0.970  0.020  1.090
 2FZ  C17  H12  single    0.970  0.020  1.090
 2FZ  C17  H13  single    0.970  0.020  1.090
 2FZ  C18  H14  single    0.970  0.020  1.090
 2FZ  C18  H15  single    0.970  0.020  1.090
 2FZ  C19  H16  single    0.970  0.020  1.090
 2FZ  C19  H17  single    0.970  0.020  1.090
 2FZ  C20  H18  single    0.970  0.020  1.090
 2FZ  C20  H19  single    0.970  0.020  1.090
 2FZ  C21  H20  single    0.970  0.020  1.090
 2FZ  C21  H21  single    0.970  0.020  1.090
 2FZ  C22  H22  single    0.970  0.020  1.090
 2FZ  C23  H23  single    0.970  0.020  1.090
 2FZ  C24  H24  single    0.970  0.020  1.090
 2FZ  C25  H25  single    0.970  0.020  1.090
 2FZ  C25  H26  single    0.970  0.020  1.090
 2FZ  C25  H27  single    0.970  0.020  1.090
 2FZ  N28  H29  single    0.860  0.020  1.020
 2FZ  N29  H30  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
 2FZ  H1   C7   C10  119.18  3.000
 2FZ  H1   C7   C9   118.43  3.000
 2FZ  C10  C7   C9   122.37  3.000
 2FZ  H2   C6   C12  120.59  3.000
 2FZ  H2   C6   C2   120.92  3.000
 2FZ  C12  C6   C2   118.49  3.000
 2FZ  H3   C1   C8   119.90  3.000
 2FZ  H3   C1   C5   119.25  3.000
 2FZ  C8   C1   C5   120.84  3.000
 2FZ  H4   C5   C12  120.51  3.000
 2FZ  H4   C5   C1   120.97  3.000
 2FZ  C12  C5   C1   118.52  3.000
 2FZ  H5   C4   C11  119.39  3.000
 2FZ  H5   C4   C3   119.84  3.000
 2FZ  C11  C4   C3   120.77  3.000
 2FZ  H6   C3   C10  121.02  3.000
 2FZ  H6   C3   C4   118.13  3.000
 2FZ  C10  C3   C4   120.85  3.000
 2FZ  H7   C2   C8   121.10  3.000
 2FZ  H7   C2   C6   118.06  3.000
 2FZ  C8   C2   C6   120.82  3.000
 2FZ  C13  C8   C2   122.65  3.000
 2FZ  C2   C8   C1   119.08  3.000
 2FZ  C13  C8   C1   118.23  3.000
 2FZ  C22  C9   C11  120.55  3.000
 2FZ  C11  C9   C7   119.02  3.000
 2FZ  C22  C9   C7   120.42  3.000
 2FZ  N26  C10  C3   123.12  3.000
 2FZ  C3   C10  C7   117.47  3.000
 2FZ  N26  C10  C7   119.39  3.000
 2FZ  O32  C11  C9   123.04  3.000
 2FZ  O32  C11  C4   117.42  3.000
 2FZ  C9   C11  C4   119.52  3.000
 2FZ  F35  C12  C5   118.82  3.000
 2FZ  F35  C12  C6   118.94  3.000
 2FZ  C5   C12  C6   122.24  3.000
 2FZ  O34  C14  O31  123.98  3.000
 2FZ  O31  C14  N29  125.19  3.000
 2FZ  O34  C14  N29  110.82  3.000
 2FZ  H9   C15  H8   107.54  3.000
 2FZ  H9   C15  N26  109.47  3.000
 2FZ  H8   C15  N26  112.10  3.000
 2FZ  H9   C15  C17  108.47  3.000
 2FZ  H8   C15  C17  109.18  3.000
 2FZ  N26  C15  C17  109.99  3.000
 2FZ  H11  C16  H10  107.28  3.000
 2FZ  H11  C16  N26  110.87  3.000
 2FZ  H10  C16  N26  110.15  3.000
 2FZ  H11  C16  C18  109.35  3.000
 2FZ  H10  C16  C18  108.61  3.000
 2FZ  N26  C16  C18  110.50  3.000
 2FZ  H13  C17  H12  107.23  3.000
 2FZ  H13  C17  N27  109.55  3.000
 2FZ  H12  C17  N27  111.65  3.000
 2FZ  H13  C17  C15  108.50  3.000
 2FZ  H12  C17  C15  109.15  3.000
 2FZ  N27  C17  C15  110.65  3.000
 2FZ  H15  C18  H14  107.35  3.000
 2FZ  H15  C18  N27  111.56  3.000
 2FZ  H14  C18  N27  109.48  3.000
 2FZ  H15  C18  C16  109.32  3.000
 2FZ  H14  C18  C16  108.58  3.000
 2FZ  N27  C18  C16  110.45  3.000
 2FZ  H17  C19  H16  109.03  3.000
 2FZ  H17  C19  O33  112.50  3.000
 2FZ  H16  C19  O33  112.36  3.000
 2FZ  H17  C19  C23  116.26  3.000
 2FZ  H16  C19  C23  114.03  3.000
 2FZ  O33  C19  C23   91.86  3.000
 2FZ  H19  C20  H18  108.95  3.000
 2FZ  H19  C20  O33  112.41  3.000
 2FZ  H18  C20  O33  112.49  3.000
 2FZ  H19  C20  C23  114.12  3.000
 2FZ  H18  C20  C23  116.21  3.000
 2FZ  O33  C20  C23   91.88  3.000
 2FZ  H21  C21  H20  108.25  3.000
 2FZ  H21  C21  O32  110.60  3.000
 2FZ  H20  C21  O32  106.54  3.000
 2FZ  H21  C21  C24  109.97  3.000
 2FZ  H20  C21  C24  111.05  3.000
 2FZ  O32  C21  C24  110.36  3.000
 2FZ  H22  C22  N28  107.22  3.000
 2FZ  H22  C22  C24  108.37  3.000
 2FZ  N28  C22  C24  110.78  3.000
 2FZ  H22  C22  C9   108.65  3.000
 2FZ  N28  C22  C9   112.18  3.000
 2FZ  C24  C22  C9   109.52  3.000
 2FZ  H23  C23  N27  112.16  3.000
 2FZ  H23  C23  C20  113.10  3.000
 2FZ  N27  C23  C20  115.93  3.000
 2FZ  H23  C23  C19  113.00  3.000
 2FZ  N27  C23  C19  115.74  3.000
 2FZ  C20  C23  C19   84.24  3.000
 2FZ  H24  C24  O34  110.88  3.000
 2FZ  H24  C24  C22  109.88  3.000
 2FZ  O34  C24  C22  106.93  3.000
 2FZ  H24  C24  C21  109.49  3.000
 2FZ  C22  C24  C21  109.17  3.000
 2FZ  O34  C24  C21  110.45  3.000
 2FZ  C16  N26  C15  111.27  3.000
 2FZ  C16  N26  C10  115.99  3.000
 2FZ  C15  N26  C10  117.37  3.000
 2FZ  C23  N27  C18  111.38  3.000
 2FZ  C18  N27  C17  109.78  3.000
 2FZ  C23  N27  C17  111.61  3.000
 2FZ  H29  N28  C22  116.79  3.000
 2FZ  H29  N28  C13  119.17  3.000
 2FZ  C22  N28  C13  124.03  3.000
 2FZ  H30  N29  C25  118.91  3.000
 2FZ  H30  N29  C14  119.26  3.000
 2FZ  C25  N29  C14  121.63  3.000
 2FZ  C21  O32  C11  116.48  3.000
 2FZ  C20  O33  C19   91.68  3.000
 2FZ  C24  O34  C14  118.33  3.000
 2FZ  O30  C13  N28  123.41  3.000
 2FZ  N28  C13  C8   115.49  3.000
 2FZ  O30  C13  C8   121.09  3.000
 2FZ  H27  C25  H26  108.42  3.000
 2FZ  H27  C25  H25  108.29  3.000
 2FZ  H26  C25  H25  108.11  3.000
 2FZ  H27  C25  N29  112.18  3.000
 2FZ  H26  C25  N29  111.49  3.000
 2FZ  H25  C25  N29  108.21  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
 2FZ  CONST_01  C4   C3   C10  C7      0.00   0.0  0
 2FZ  CONST_02  C4   C11  C9   C7      0.00   0.0  0
 2FZ  CONST_03  C1   C8   C2   C6      0.00   0.0  0
 2FZ  CONST_04  C1   C5   C12  C6      0.00   0.0  0
 2FZ  CONST_05  C2   C8   C1   C5      0.00   0.0  0
 2FZ  CONST_06  C2   C6   C12  C5      0.00   0.0  0
 2FZ  CONST_07  C9   C7   C10  C3      0.00   0.0  0
 2FZ  CONST_08  C9   C11  C4   C3      0.00   0.0  0
 2FZ  CONST_09  C12  C5   C1   C8      0.00   0.0  0
 2FZ  CONST_10  C12  C6   C2   C8      0.00   0.0  0
 2FZ  CONST_11  C11  C9   C7   C10     0.00   0.0  0
 2FZ  CONST_12  C11  C4   C3   C10     0.00   0.0  0
 2FZ  CONST_13  N26  C10  C3   C4    180.00   0.0  0
 2FZ  CONST_14  N26  C10  C7   C9    180.00   0.0  0
 2FZ  CONST_15  C13  C8   C2   C6    180.00   0.0  0
 2FZ  CONST_16  F35  C12  C5   C1    180.00   0.0  0
 2FZ  CONST_17  C13  C8   C1   C5    180.00   0.0  0
 2FZ  CONST_18  F35  C12  C6   C2    180.00   0.0  0
 2FZ  CONST_19  H6   C3   C10  C7    180.00   0.0  0
 2FZ  CONST_20  H4   C5   C12  C6    180.00   0.0  0
 2FZ  CONST_21  H7   C2   C8   C1    180.00   0.0  0
 2FZ  CONST_22  H2   C6   C12  C5    180.00   0.0  0
 2FZ  CONST_23  H1   C7   C10  C3    180.00   0.0  0
 2FZ  CONST_24  H3   C1   C8   C2    180.00   0.0  0
 2FZ  CONST_25  H5   C4   C11  C9    180.00   0.0  0
 2FZ  CONST_26  C22  N28  C13  C8    180.00   0.0  0
 2FZ  CONST_27  O30  C13  N28  C22     0.00   0.0  0
 2FZ  CONST_28  H29  N28  C13  C8      0.00   0.0  0
 2FZ  Var_01    C15  N26  C10  C7    167.55  30.0  1
 2FZ  Var_02    C17  C15  N26  C10  -166.62  30.0  1
 2FZ  Var_03    C18  C16  N26  C10   166.14  30.0  1
 2FZ  Var_04    C24  C21  O32  C11   -48.01  30.0  1
 2FZ  Var_05    C23  N27  C17  C15  -176.92  30.0  1
 2FZ  Var_06    C17  N27  C18  C16   -58.48  30.0  1
 2FZ  Var_07    C23  C20  O33  C19    -4.58  30.0  1
 2FZ  Var_08    N27  C17  C15  N26   -57.94  30.0  1
 2FZ  Var_09    N27  C18  C16  N26    57.01  30.0  1
 2FZ  Var_10    O30  C13  C8   C1    -26.95  30.0  2
 2FZ  Var_11    N29  C14  O34  C24   177.25  30.0  3
 2FZ  Var_12    O34  C14  N29  C25  -178.76  30.0  2
 2FZ  Var_13    H25  C25  N29  C14  -175.33  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
 2FZ  chir_01  C22  C9   C24  N28  negativ
 2FZ  chir_02  C23  C20  N27  C19  positiv
 2FZ  chir_03  C24  O34  C22  C21  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
 2FZ  plan-1  C6   0.020
 2FZ  plan-1  C1   0.020
 2FZ  plan-1  C5   0.020
 2FZ  plan-1  C2   0.020
 2FZ  plan-1  C8   0.020
 2FZ  plan-1  C12  0.020
 2FZ  plan-1  F35  0.020
 2FZ  plan-1  H3   0.020
 2FZ  plan-1  H4   0.020
 2FZ  plan-1  H7   0.020
 2FZ  plan-1  C13  0.020
 2FZ  plan-1  H2   0.020
 2FZ  plan-2  C7   0.020
 2FZ  plan-2  C4   0.020
 2FZ  plan-2  C3   0.020
 2FZ  plan-2  C9   0.020
 2FZ  plan-2  C10  0.020
 2FZ  plan-2  C11  0.020
 2FZ  plan-2  C22  0.020
 2FZ  plan-2  N26  0.020
 2FZ  plan-2  O32  0.020
 2FZ  plan-2  H1   0.020
 2FZ  plan-2  H5   0.020
 2FZ  plan-2  H6   0.020
 2FZ  plan-3  C8   0.020
 2FZ  plan-3  C22  0.020
 2FZ  plan-3  N28  0.020
 2FZ  plan-3  O30  0.020
 2FZ  plan-3  H29  0.020
 2FZ  plan-3  C13  0.020
 2FZ  plan-4  C14  0.020
 2FZ  plan-4  N29  0.020
 2FZ  plan-4  O31  0.020
 2FZ  plan-4  O34  0.020

