# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Apr 16 19:28:30 2020
#   Inital geometry file: a 146 line input string
#   Ligand name: 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)c1onc(c1COc2ccc(cc2)c3ccc4nc(ccc4c3)C(O)=O)c5c(Cl)cccc5Cl
#
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
 89P  89P  '6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid'  ligand  58  37  .  2021-08-06  2021-08-06  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_89P
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
 89P  C1    C   CH3    0  -0.654  -5.1769   4.2633  -1.9114
 89P  C2    C   CH1    0  -0.375  -4.2494   3.5401  -0.9359
 89P  C3    C   CH3    0  -0.646  -4.0625   4.3405   0.3567
 89P  C4    C   CR5    0   0.494  -4.7155   2.1596  -0.6311
 89P  O5    O   O      0  -0.344  -5.9919   1.9761  -0.2910
 89P  N6    N   N      0  -0.145  -6.2255   0.6633  -0.0129
 89P  C7    C   CR5    0   0.229  -5.0868   0.0612  -0.1814
 89P  C8    C   CR5    0  -0.179  -4.0720   0.9646  -0.5862
 89P  C9    C   CH2    0  -0.323  -2.6466   0.6668  -0.8552
 89P  O10   O   O2     0  -0.455  -1.9224   0.8749   0.3479
 89P  C11   C   C      0   0.382  -0.5913   0.6708   0.3331
 89P  C12   C   C1     0  -0.332   0.0900   0.9403   1.5215
 89P  C13   C   C1     0  -0.294   1.4572   0.7620   1.5965
 89P  C14   C   C      0   0.069   2.1962   0.3139   0.4968
 89P  C15   C   C1     0  -0.298   1.4998   0.0436  -0.6779
 89P  C16   C   C1     0  -0.366   0.1257   0.2163  -0.7711
 89P  C17   C   CR6    0   0.100   3.6582   0.1418   0.5783
 89P  C18   C   CR16   0  -0.312   4.2609  -0.3072   1.7825
 89P  C19   C   CR16   0  -0.286   5.6134  -0.4693   1.8873
 89P  C20   C   CR66   0   0.172   6.4615  -0.1927   0.7887
 89P  N21   N   N      0  -0.433   7.7962  -0.3578   0.9282
 89P  C22   C   CR6    0   0.021   8.5806  -0.0991  -0.0879
 89P  C23   C   CR16   0  -0.311   8.0803   0.3495  -1.3361
 89P  C24   C   CR16   0  -0.192   6.7376   0.5240  -1.4978
 89P  C25   C   CR66   0   0.114   5.8694   0.2504  -0.4184
 89P  C26   C   CR16   0  -0.401   4.4718   0.4129  -0.4979
 89P  C27   C   C      0   0.385  10.0908  -0.2926   0.0943
 89P  O28   O   O      0  -0.586  10.7869  -0.0571  -0.9120
 89P  O29   O   OC    -1  -0.585  10.4770  -0.6610   1.2136
 89P  C30   C   CR6    0   0.212  -4.9432  -1.3858   0.0403
 89P  C31   C   CR6    0  -0.113  -4.7661  -1.9108   1.3185
 89P  CL32  CL  CL     0  -0.101  -4.7280  -0.8411   2.6726
 89P  C33   C   CR16   0  -0.188  -4.6092  -3.2704   1.5320
 89P  C34   C   CR16   0  -0.276  -4.6217  -4.1295   0.4447
 89P  C35   C   CR16   0  -0.187  -4.7827  -3.6423  -0.8427
 89P  C36   C   CR6    0  -0.121  -4.9383  -2.2792  -1.0285
 89P  CL37  CL  CL     0  -0.099  -5.1217  -1.6658  -2.6336
 89P  H1    H   HCH3   0   0.244  -4.7406   5.2252  -2.1790
 89P  H1A   H   HCH3   0   0.242  -5.3231   3.6948  -2.8296
 89P  H1B   H   HCH3   0   0.232  -6.1539   4.4563  -1.4676
 89P  H2    H   HCH1   0   0.268  -3.2694   3.4315  -1.4093
 89P  H3    H   HCH3   0   0.232  -5.0132   4.4876   0.8707
 89P  H3A   H   HCH3   0   0.240  -3.3767   3.8400   1.0402
 89P  H3B   H   HCH3   0   0.243  -3.6512   5.3235   0.1262
 89P  H9    H   HCH2   0   0.242  -2.5353  -0.3678  -1.1960
 89P  H9A   H   HCH2   0   0.252  -2.2632   1.3141  -1.6510
 89P  H12   H   H      0   0.264  -0.4595   1.2992   2.3826
 89P  H13   H   H      0   0.257   1.9592   1.0007   2.5259
 89P  H15   H   H      0   0.258   2.0280  -0.3315  -1.5455
 89P  H16   H   H      0   0.286  -0.3622  -0.0213  -1.7066
 89P  H18   H   HCR6   0   0.257   3.6335  -0.5443   2.6325
 89P  H19   H   HCR6   0   0.258   6.0575  -0.8200   2.8101
 89P  H23   H   HCR6   0   0.258   8.7689   0.5492  -2.1434
 89P  H24   H   HCR6   0   0.263   6.3286   0.8688  -2.4402
 89P  H26   H   HCR6   0   0.256   4.0501   0.7835  -1.4252
 89P  H33   H   HCR6   0   0.292  -4.4756  -3.6528   2.5340
 89P  H34   H   HCR6   0   0.286  -4.5014  -5.1925   0.6021
 89P  H35   H   HCR6   0   0.293  -4.7858  -4.3135  -1.6896

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
 89P  C1    C2   single    1.528  0.020  1.528
 89P  C1    H1   single    0.970  0.020  1.090
 89P  C1    H1A  single    0.970  0.020  1.090
 89P  C1    H1B  single    0.970  0.020  1.090
 89P  C2    C3   single    1.532  0.020  1.532
 89P  C2    C4   single    1.489  0.020  1.489
 89P  C2    H2   single    0.970  0.020  1.090
 89P  C3    H3   single    0.970  0.020  1.090
 89P  C3    H3A  single    0.970  0.020  1.090
 89P  C3    H3B  single    0.970  0.020  1.090
 89P  C4    C8   aromatic  1.358  0.020  1.358
 89P  C4    O5   aromatic  1.334  0.020  1.334
 89P  O5    N6   aromatic  1.362  0.020  1.362
 89P  C7    N6   aromatic  1.299  0.020  1.299
 89P  C8    C7   aromatic  1.418  0.020  1.418
 89P  C7    C30  single    1.471  0.020  1.471
 89P  C9    C8   single    1.481  0.020  1.481
 89P  C9    O10  single    1.420  0.020  1.420
 89P  C9    H9   single    0.970  0.020  1.090
 89P  C9    H9A  single    0.970  0.020  1.090
 89P  C11   O10  single    1.347  0.020  1.347
 89P  C12   C11  aromatic  1.396  0.020  1.396
 89P  C16   C11  aromatic  1.393  0.020  1.393
 89P  C13   C12  aromatic  1.381  0.020  1.381
 89P  C12   H12  single    0.930  0.020  1.080
 89P  C14   C13  aromatic  1.399  0.020  1.399
 89P  C13   H13  single    0.930  0.020  1.080
 89P  C17   C14  single    1.474  0.020  1.474
 89P  C14   C15  aromatic  1.392  0.020  1.392
 89P  C15   C16  aromatic  1.388  0.020  1.388
 89P  C15   H15  single    0.930  0.020  1.080
 89P  C16   H16  single    0.930  0.020  1.080
 89P  C26   C17  aromatic  1.376  0.020  1.376
 89P  C18   C17  aromatic  1.419  0.020  1.419
 89P  C19   C18  aromatic  1.366  0.020  1.366
 89P  C18   H18  single    0.930  0.020  1.080
 89P  C20   C19  aromatic  1.415  0.020  1.415
 89P  C19   H19  single    0.930  0.020  1.080
 89P  N21   C20  aromatic  1.352  0.020  1.352
 89P  C20   C25  aromatic  1.416  0.020  1.416
 89P  C22   N21  aromatic  1.309  0.020  1.309
 89P  C27   C22  single    1.533  0.020  1.533
 89P  C22   C23  aromatic  1.418  0.020  1.418
 89P  C23   C24  aromatic  1.364  0.020  1.364
 89P  C23   H23  single    0.930  0.020  1.080
 89P  C24   C25  aromatic  1.412  0.020  1.412
 89P  C24   H24  single    0.930  0.020  1.080
 89P  C25   C26  aromatic  1.409  0.020  1.409
 89P  C26   H26  single    0.930  0.020  1.080
 89P  O28   C27  deloc     1.246  0.020  1.246
 89P  O29   C27  deloc     1.240  0.020  1.240
 89P  C30   C31  aromatic  1.393  0.020  1.393
 89P  C30   C36  aromatic  1.393  0.020  1.393
 89P  CL32  C31  single    1.726  0.020  1.726
 89P  C31   C33  aromatic  1.385  0.020  1.385
 89P  C33   C34  aromatic  1.386  0.020  1.386
 89P  C33   H33  single    0.930  0.020  1.080
 89P  C35   C34  aromatic  1.386  0.020  1.386
 89P  C34   H34  single    0.930  0.020  1.080
 89P  C36   C35  aromatic  1.385  0.020  1.385
 89P  C35   H35  single    0.930  0.020  1.080
 89P  CL37  C36  single    1.728  0.020  1.728

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
 89P  H1B   C1   H1A   108.37  3.000
 89P  H1B   C1   H1    107.61  3.000
 89P  H1A   C1   H1    107.90  3.000
 89P  H1B   C1   C2    111.59  3.000
 89P  H1A   C1   C2    111.86  3.000
 89P  H1    C1   C2    109.36  3.000
 89P  H2    C2   C4    106.09  3.000
 89P  H2    C2   C3    107.93  3.000
 89P  C4    C2   C3    110.49  3.000
 89P  H2    C2   C1    108.33  3.000
 89P  C4    C2   C1    112.31  3.000
 89P  C3    C2   C1    111.44  3.000
 89P  H3B   C3   H3A   108.02  3.000
 89P  H3B   C3   H3    107.87  3.000
 89P  H3A   C3   H3    108.35  3.000
 89P  H3B   C3   C2    109.80  3.000
 89P  H3A   C3   C2    111.47  3.000
 89P  H3    C3   C2    111.21  3.000
 89P  C8    C4   O5    108.91  3.000
 89P  O5    C4   C2    118.65  3.000
 89P  C8    C4   C2    132.41  3.000
 89P  N6    O5   C4    110.41  3.000
 89P  C7    N6   O5    105.66  3.000
 89P  C30   C7   C8    126.87  3.000
 89P  C30   C7   N6    121.47  3.000
 89P  C8    C7   N6    111.66  3.000
 89P  C9    C8   C7    127.79  3.000
 89P  C9    C8   C4    128.83  3.000
 89P  C7    C8   C4    103.36  3.000
 89P  H9A   C9   H9    107.26  3.000
 89P  H9A   C9   O10   110.53  3.000
 89P  H9    C9   O10   110.51  3.000
 89P  H9A   C9   C8    110.49  3.000
 89P  H9    C9   C8    110.14  3.000
 89P  O10   C9   C8    107.92  3.000
 89P  C11   O10  C9    118.21  3.000
 89P  C16   C11  C12   119.12  3.000
 89P  C16   C11  O10   124.54  3.000
 89P  C12   C11  O10   116.34  3.000
 89P  H12   C12  C13   120.14  3.000
 89P  H12   C12  C11   119.56  3.000
 89P  C13   C12  C11   120.30  3.000
 89P  H13   C13  C14   120.03  3.000
 89P  H13   C13  C12   118.50  3.000
 89P  C14   C13  C12   121.46  3.000
 89P  C17   C14  C15   121.34  3.000
 89P  C15   C14  C13   117.47  3.000
 89P  C17   C14  C13   121.19  3.000
 89P  H15   C15  C16   118.18  3.000
 89P  H15   C15  C14   119.96  3.000
 89P  C16   C15  C14   121.85  3.000
 89P  H16   C16  C15   118.51  3.000
 89P  H16   C16  C11   121.68  3.000
 89P  C15   C16  C11   119.80  3.000
 89P  C26   C17  C18   118.34  3.000
 89P  C18   C17  C14   120.32  3.000
 89P  C26   C17  C14   121.33  3.000
 89P  H18   C18  C19   119.17  3.000
 89P  H18   C18  C17   119.29  3.000
 89P  C19   C18  C17   121.53  3.000
 89P  H19   C19  C20   118.64  3.000
 89P  H19   C19  C18   120.66  3.000
 89P  C20   C19  C18   120.70  3.000
 89P  C25   C20  N21   122.62  3.000
 89P  C25   C20  C19   118.20  3.000
 89P  N21   C20  C19   119.18  3.000
 89P  C22   N21  C20   119.15  3.000
 89P  C27   C22  C23   119.48  3.000
 89P  C23   C22  N21   122.30  3.000
 89P  C27   C22  N21   118.22  3.000
 89P  H23   C23  C24   121.04  3.000
 89P  H23   C23  C22   119.46  3.000
 89P  C24   C23  C22   119.50  3.000
 89P  H24   C24  C25   119.63  3.000
 89P  H24   C24  C23   121.03  3.000
 89P  C25   C24  C23   119.33  3.000
 89P  C26   C25  C24   122.98  3.000
 89P  C26   C25  C20   119.93  3.000
 89P  C24   C25  C20   117.09  3.000
 89P  H26   C26  C25   118.26  3.000
 89P  H26   C26  C17   120.42  3.000
 89P  C25   C26  C17   121.30  3.000
 89P  O29   C27  O28   127.67  3.000
 89P  O29   C27  C22   116.84  3.000
 89P  O28   C27  C22   115.49  3.000
 89P  C36   C30  C31   117.51  3.000
 89P  C36   C30  C7    121.03  3.000
 89P  C31   C30  C7    121.42  3.000
 89P  C33   C31  CL32  119.00  3.000
 89P  C33   C31  C30   121.71  3.000
 89P  CL32  C31  C30   119.28  3.000
 89P  H33   C33  C34   120.61  3.000
 89P  H33   C33  C31   120.27  3.000
 89P  C34   C33  C31   119.11  3.000
 89P  H34   C34  C35   119.59  3.000
 89P  H34   C34  C33   119.61  3.000
 89P  C35   C34  C33   120.79  3.000
 89P  H35   C35  C36   120.39  3.000
 89P  H35   C35  C34   120.66  3.000
 89P  C36   C35  C34   118.94  3.000
 89P  CL37  C36  C35   119.08  3.000
 89P  CL37  C36  C30   118.99  3.000
 89P  C35   C36  C30   121.92  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
 89P  CONST_01  N6    C7   C8   C4       0.00   0.0  0
 89P  CONST_02  C30   C7   C8   C4     180.00   0.0  0
 89P  CONST_03  C7    N6   O5   C4       0.00   0.0  0
 89P  CONST_04  C7    C8   C4   O5       0.00   0.0  0
 89P  CONST_05  C8    C7   N6   O5       0.00   0.0  0
 89P  CONST_06  C30   C7   N6   O5     180.00   0.0  0
 89P  CONST_07  C8    C4   O5   N6       0.00   0.0  0
 89P  CONST_10  C33   C31  C30  C7     180.00   0.0  0
 89P  CONST_11  C35   C36  C30  C7     180.00   0.0  0
 89P  CONST_14  C14   C13  C12  C11      0.00   0.0  0
 89P  CONST_15  C14   C15  C16  C11      0.00   0.0  0
 89P  CONST_16  C15   C16  C11  C12      0.00   0.0  0
 89P  CONST_17  C17   C14  C13  C12    180.00   0.0  0
 89P  CONST_18  C15   C14  C13  C12      0.00   0.0  0
 89P  CONST_19  C16   C11  C12  C13      0.00   0.0  0
 89P  CONST_22  C16   C15  C14  C13      0.00   0.0  0
 89P  CONST_23  C25   C26  C17  C14    180.00   0.0  0
 89P  CONST_24  C19   C18  C17  C14    180.00   0.0  0
 89P  CONST_27  C17   C14  C15  C16    180.00   0.0  0
 89P  CONST_28  C20   C25  C26  C17      0.00   0.0  0
 89P  CONST_29  C24   C25  C26  C17    180.00   0.0  0
 89P  CONST_30  C20   C19  C18  C17      0.00   0.0  0
 89P  CONST_31  C25   C26  C17  C18      0.00   0.0  0
 89P  CONST_32  N21   C20  C19  C18    180.00   0.0  0
 89P  CONST_33  C25   C20  C19  C18      0.00   0.0  0
 89P  CONST_34  C26   C17  C18  C19      0.00   0.0  0
 89P  CONST_35  C22   N21  C20  C19    180.00   0.0  0
 89P  CONST_36  C24   C25  C20  C19    180.00   0.0  0
 89P  CONST_37  C26   C25  C20  C19      0.00   0.0  0
 89P  CONST_38  C23   C22  N21  C20      0.00   0.0  0
 89P  CONST_39  C23   C24  C25  C20      0.00   0.0  0
 89P  CONST_40  C24   C25  C20  N21      0.00   0.0  0
 89P  CONST_41  C26   C25  C20  N21    180.00   0.0  0
 89P  CONST_42  C24   C23  C22  N21      0.00   0.0  0
 89P  CONST_43  C25   C20  N21  C22      0.00   0.0  0
 89P  CONST_44  C25   C24  C23  C22      0.00   0.0  0
 89P  CONST_45  C26   C25  C24  C23    180.00   0.0  0
 89P  CONST_46  C34   C33  C31  C30      0.00   0.0  0
 89P  CONST_47  C34   C35  C36  C30      0.00   0.0  0
 89P  CONST_48  C35   C36  C30  C31      0.00   0.0  0
 89P  CONST_49  C35   C34  C33  C31      0.00   0.0  0
 89P  CONST_50  C36   C30  C31  C33      0.00   0.0  0
 89P  CONST_51  C36   C35  C34  C33      0.00   0.0  0
 89P  CONST_52  C7    C8   C4   C2     180.00   0.0  0
 89P  CONST_53  N6    O5   C4   C2     180.00   0.0  0
 89P  CONST_54  C9    C8   C4   O5     180.00   0.0  0
 89P  CONST_55  C9    C8   C7   N6     180.00   0.0  0
 89P  CONST_56  CL32  C31  C30  C7       0.00   0.0  0
 89P  CONST_57  CL37  C36  C30  C7       0.00   0.0  0
 89P  CONST_58  C30   C7   C8   C9       0.00   0.0  0
 89P  CONST_59  C13   C12  C11  O10    180.00   0.0  0
 89P  CONST_60  C15   C16  C11  O10    180.00   0.0  0
 89P  CONST_61  C27   C22  N21  C20    180.00   0.0  0
 89P  CONST_62  C27   C22  C23  C24    180.00   0.0  0
 89P  CONST_63  CL37  C36  C30  C31    180.00   0.0  0
 89P  CONST_64  C36   C30  C31  CL32   180.00   0.0  0
 89P  CONST_65  C34   C33  C31  CL32   180.00   0.0  0
 89P  CONST_66  CL37  C36  C35  C34    180.00   0.0  0
 89P  CONST_67  H13   C13  C12  C11    180.00   0.0  0
 89P  CONST_68  H15   C15  C16  C11    180.00   0.0  0
 89P  CONST_69  H16   C16  C11  C12    180.00   0.0  0
 89P  CONST_70  H12   C12  C13  C14    180.00   0.0  0
 89P  CONST_71  H26   C26  C17  C14      0.00   0.0  0
 89P  CONST_72  H18   C18  C17  C14      0.00   0.0  0
 89P  CONST_73  H19   C19  C18  C17    180.00   0.0  0
 89P  CONST_74  H24   C24  C25  C20    180.00   0.0  0
 89P  CONST_75  H23   C23  C22  N21    180.00   0.0  0
 89P  CONST_76  H33   C33  C31  C30    180.00   0.0  0
 89P  CONST_77  H35   C35  C36  C30    180.00   0.0  0
 89P  CONST_78  H34   C34  C33  C31    180.00   0.0  0
 89P  Var_01    C8    C4   C2   C1     133.39  30.0  2
 89P  Var_02    O10   C9   C8   C4      85.97  30.0  2
 89P  Var_03    C12   C11  O10  C9     177.42  30.0  3
 89P  Var_04    O28   C27  C22  N21    178.65  30.0  2
 89P  Var_05    H1    C1   C2   C4    -174.30  30.0  3
 89P  Var_06    H3    C3   C2   C4     -64.86  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
 89P  plan-1  C2    0.020
 89P  plan-1  C4    0.020
 89P  plan-1  O5    0.020
 89P  plan-1  N6    0.020
 89P  plan-1  C7    0.020
 89P  plan-1  C8    0.020
 89P  plan-1  C9    0.020
 89P  plan-1  C30   0.020
 89P  plan-2  O10   0.020
 89P  plan-2  C11   0.020
 89P  plan-2  C12   0.020
 89P  plan-2  C13   0.020
 89P  plan-2  C14   0.020
 89P  plan-2  C15   0.020
 89P  plan-2  C16   0.020
 89P  plan-2  C17   0.020
 89P  plan-2  H12   0.020
 89P  plan-2  H13   0.020
 89P  plan-2  H15   0.020
 89P  plan-2  H16   0.020
 89P  plan-3  C7    0.020
 89P  plan-3  C30   0.020
 89P  plan-3  C31   0.020
 89P  plan-3  CL32  0.020
 89P  plan-3  C33   0.020
 89P  plan-3  C34   0.020
 89P  plan-3  C35   0.020
 89P  plan-3  C36   0.020
 89P  plan-3  CL37  0.020
 89P  plan-3  H33   0.020
 89P  plan-3  H34   0.020
 89P  plan-3  H35   0.020
 89P  plan-4  C14   0.020
 89P  plan-4  C17   0.020
 89P  plan-4  C18   0.020
 89P  plan-4  C19   0.020
 89P  plan-4  C20   0.020
 89P  plan-4  N21   0.020
 89P  plan-4  C22   0.020
 89P  plan-4  C23   0.020
 89P  plan-4  C24   0.020
 89P  plan-4  C25   0.020
 89P  plan-4  C26   0.020
 89P  plan-4  C27   0.020
 89P  plan-4  H18   0.020
 89P  plan-4  H19   0.020
 89P  plan-4  H23   0.020
 89P  plan-4  H24   0.020
 89P  plan-4  H26   0.020
 89P  plan-5  C22   0.020
 89P  plan-5  C27   0.020
 89P  plan-5  O28   0.020
 89P  plan-5  O29   0.020

