# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun May  3 17:51:51 2020
#   Inital geometry file: a 155 line input string
#   Ligand name: (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)(C)Cc1onc(c1)c2onc([C@@H](CCC(O)=O)CC(=O)Nc3ccc(Cl)cc3Cl)c2C4CC4
#
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
 AYO  AYO  '(4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid'  ligand  65  36  .  2022-09-16  2022-11-17
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_AYO
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
 AYO  C1   C   C     0   0.517  -2.4666   1.6832   0.5260
 AYO  C4   C   CH2   0  -0.553  -2.0666   3.0612   0.0489
 AYO  C5   C   CH1   0  -0.335  -0.5970   3.3493   0.4154
 AYO  C6   C   CH2   0  -0.409  -0.1591   4.6958  -0.1602
 AYO  N2   N   NH1   0  -0.733  -2.5715   0.7546  -0.4610
 AYO  C7   C   CH2   0  -0.600   1.2614   5.0591   0.2370
 AYO  C8   C   CR5   0   0.242   0.2525   2.2024  -0.0427
 AYO  C11  C   CR5   0   0.432   1.3401   0.3241  -0.1694
 AYO  C12  C   CR5   0  -0.143   0.8024   1.1600   0.7586
 AYO  C13  C   CH1   0  -0.351   0.7946   1.0507   2.2287
 AYO  C14  C   CH2   0  -0.471   2.0724   0.7988   2.9671
 AYO  C15  C   CH2   0  -0.488   1.4203   2.1405   3.0547
 AYO  O27  O   OH1   0  -0.596   2.9379   6.6957   0.0837
 AYO  C17  C   C     0   0.563   1.6924   6.4048  -0.2779
 AYO  O18  O   O     0  -0.443   1.0095   7.1451  -0.9408
 AYO  O3   O   O     0  -0.452  -2.6300   1.4239   1.7035
 AYO  C19  C   CR6   0   0.428  -2.8228  -0.6070  -0.2614
 AYO  C24  C   CR6   0  -0.115  -3.7615  -1.2712  -1.0501
 AYO  CL1  CL  CL    0  -0.092  -4.6503  -0.3915  -2.2414
 AYO  C23  C   CR16  0  -0.172  -4.0017  -2.6285  -0.9085
 AYO  C22  C   CR6   0  -0.054  -3.3014  -3.3301   0.0573
 AYO  CL2  CL  CL    0  -0.112  -3.6000  -5.0218   0.2524
 AYO  C21  C   CR16  0  -0.208  -2.3637  -2.7000   0.8601
 AYO  C20  C   CR16  0  -0.285  -2.1268  -1.3479   0.6901
 AYO  O10  O   O     0  -0.347   1.1630   0.8282  -1.3937
 AYO  N9   N   N     0  -0.153   0.4801   1.9981  -1.3077
 AYO  C16  C   CR5   0   0.145   2.0230  -0.9501  -0.0941
 AYO  N31  N   N     0  -0.157   1.9055  -1.7074   0.9640
 AYO  O30  O   O     0  -0.328   2.6573  -2.8042   0.7144
 AYO  C29  C   CR5   0   0.445   3.2290  -2.7200  -0.4947
 AYO  C28  C   CR15  0  -0.483   2.8519  -1.5528  -1.0722
 AYO  C32  C   CH2   0  -0.523   4.1157  -3.8250  -0.9337
 AYO  C33  C   CT    0  -0.099   5.6089  -3.6629  -0.5587
 AYO  C36  C   CH3   0  -0.642   5.7833  -3.6272   0.9596
 AYO  C35  C   CH3   0  -0.643   6.3464  -4.8757  -1.1271
 AYO  C34  C   CH3   0  -0.642   6.1819  -2.3862  -1.1714
 AYO  H1   H   HCH2  0   0.262  -2.1981   3.1676  -1.0298
 AYO  H2   H   HCH2  0   0.288  -2.7072   3.7989   0.5344
 AYO  H3   H   HCH1  0   0.283  -0.5263   3.3933   1.5051
 AYO  H4   H   HCH2  0   0.243  -0.2527   4.6777  -1.2482
 AYO  H5   H   HCH2  0   0.253  -0.8517   5.4583   0.2022
 AYO  H6   H   HNH1  0   0.410  -2.4842   1.0717  -1.4146
 AYO  H7   H   HCH2  0   0.282   1.3723   5.0611   1.3261
 AYO  H8   H   HCH2  0   0.286   1.9745   4.3154  -0.1318
 AYO  H9   H   HCH1  0   0.284  -0.0959   0.5991   2.6528
 AYO  H10  H   HCH2  0   0.256   2.0326   0.1443   3.8275
 AYO  H11  H   HCH2  0   0.250   2.9821   0.7161   2.3870
 AYO  H12  H   HCH2  0   0.252   1.8892   2.9632   2.5291
 AYO  H13  H   HCH2  0   0.259   0.9260   2.4231   3.9747
 AYO  H14  H   HOH1  0   0.480   3.1900   7.5640  -0.2647
 AYO  H15  H   HCR6  0   0.305  -4.7298  -3.1216  -1.5370
 AYO  H16  H   HCR6  0   0.289  -1.8103  -3.2561   1.6037
 AYO  H17  H   HCR6  0   0.291  -1.3711  -0.8708   1.2963
 AYO  H18  H   HCR5  0   0.289   3.1315  -1.1757  -2.0410
 AYO  H19  H   HCH2  0   0.270   3.7441  -4.7671  -0.5211
 AYO  H20  H   HCH2  0   0.270   4.0323  -3.9032  -2.0202
 AYO  H21  H   HCH3  0   0.227   5.3561  -4.5144   1.4324
 AYO  H22  H   HCH3  0   0.230   6.8431  -3.5930   1.2199
 AYO  H23  H   HCH3  0   0.228   5.3144  -2.7481   1.4054
 AYO  H24  H   HCH3  0   0.227   6.2416  -4.9321  -2.2127
 AYO  H25  H   HCH3  0   0.232   7.4126  -4.8203  -0.9003
 AYO  H26  H   HCH3  0   0.227   5.9638  -5.8075  -0.7053
 AYO  H27  H   HCH3  0   0.230   5.7205  -1.4914  -0.7505
 AYO  H28  H   HCH3  0   0.232   7.2547  -2.3214  -0.9799
 AYO  H29  H   HCH3  0   0.226   6.0380  -2.3601  -2.2540

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
 AYO  O18  C17  double    1.206  0.020  1.206
 AYO  C17  O27  single    1.329  0.020  1.329
 AYO  C17  C7   single    1.504  0.020  1.504
 AYO  C6   C7   single    1.519  0.020  1.519
 AYO  C6   C5   single    1.528  0.020  1.528
 AYO  C4   C5   single    1.542  0.020  1.542
 AYO  C4   C1   single    1.512  0.020  1.512
 AYO  N2   C1   single    1.359  0.020  1.359
 AYO  N2   C19  single    1.399  0.020  1.399
 AYO  C5   C8   single    1.499  0.020  1.499
 AYO  C1   O3   double    1.217  0.020  1.217
 AYO  N9   C8   aromatic  1.301  0.020  1.301
 AYO  N9   O10  aromatic  1.357  0.020  1.357
 AYO  C19  C20  aromatic  1.392  0.020  1.392
 AYO  C19  C24  aromatic  1.394  0.020  1.394
 AYO  CL1  C24  single    1.727  0.020  1.727
 AYO  C20  C21  aromatic  1.383  0.020  1.383
 AYO  C24  C23  aromatic  1.386  0.020  1.386
 AYO  C8   C12  aromatic  1.425  0.020  1.425
 AYO  O10  C11  aromatic  1.336  0.020  1.336
 AYO  C21  C22  aromatic  1.386  0.020  1.386
 AYO  C23  C22  aromatic  1.384  0.020  1.384
 AYO  C22  CL2  single    1.729  0.020  1.729
 AYO  C12  C11  aromatic  1.360  0.020  1.360
 AYO  C12  C13  single    1.474  0.020  1.474
 AYO  C11  C16  single    1.448  0.020  1.448
 AYO  C13  C15  single    1.504  0.020  1.504
 AYO  C13  C14  single    1.497  0.020  1.497
 AYO  C16  N31  aromatic  1.306  0.020  1.306
 AYO  C16  C28  aromatic  1.417  0.020  1.417
 AYO  N31  O30  aromatic  1.353  0.020  1.353
 AYO  C15  C14  single    1.494  0.020  1.494
 AYO  C28  C29  aromatic  1.356  0.020  1.356
 AYO  O30  C29  aromatic  1.340  0.020  1.340
 AYO  C34  C33  single    1.528  0.020  1.528
 AYO  C29  C32  single    1.483  0.020  1.483
 AYO  C35  C33  single    1.529  0.020  1.529
 AYO  C33  C32  single    1.548  0.020  1.548
 AYO  C33  C36  single    1.529  0.020  1.529
 AYO  C4   H1   single    0.970  0.020  1.090
 AYO  C4   H2   single    0.970  0.020  1.090
 AYO  C5   H3   single    0.970  0.020  1.090
 AYO  C6   H4   single    0.970  0.020  1.090
 AYO  C6   H5   single    0.970  0.020  1.090
 AYO  N2   H6   single    0.860  0.020  1.020
 AYO  C7   H7   single    0.970  0.020  1.090
 AYO  C7   H8   single    0.970  0.020  1.090
 AYO  C13  H9   single    0.970  0.020  1.090
 AYO  C14  H10  single    0.970  0.020  1.090
 AYO  C14  H11  single    0.970  0.020  1.090
 AYO  C15  H12  single    0.970  0.020  1.090
 AYO  C15  H13  single    0.970  0.020  1.090
 AYO  O27  H14  single    0.850  0.020  0.980
 AYO  C23  H15  single    0.930  0.020  1.080
 AYO  C21  H16  single    0.930  0.020  1.080
 AYO  C20  H17  single    0.930  0.020  1.080
 AYO  C28  H18  single    0.930  0.020  1.080
 AYO  C32  H19  single    0.970  0.020  1.090
 AYO  C32  H20  single    0.970  0.020  1.090
 AYO  C36  H21  single    0.970  0.020  1.090
 AYO  C36  H22  single    0.970  0.020  1.090
 AYO  C36  H23  single    0.970  0.020  1.090
 AYO  C35  H24  single    0.970  0.020  1.090
 AYO  C35  H25  single    0.970  0.020  1.090
 AYO  C35  H26  single    0.970  0.020  1.090
 AYO  C34  H27  single    0.970  0.020  1.090
 AYO  C34  H28  single    0.970  0.020  1.090
 AYO  C34  H29  single    0.970  0.020  1.090

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
 AYO  O3   C1   N2   123.15  3.000
 AYO  O3   C1   C4   122.35  3.000
 AYO  N2   C1   C4   114.44  3.000
 AYO  H2   C4   H1   107.64  3.000
 AYO  H2   C4   C5   109.12  3.000
 AYO  H1   C4   C5   109.36  3.000
 AYO  H2   C4   C1   108.68  3.000
 AYO  H1   C4   C1   111.64  3.000
 AYO  C5   C4   C1   110.33  3.000
 AYO  H3   C5   C8   107.39  3.000
 AYO  H3   C5   C6   108.75  3.000
 AYO  C8   C5   C6   113.37  3.000
 AYO  H3   C5   C4   107.83  3.000
 AYO  C8   C5   C4   108.94  3.000
 AYO  C6   C5   C4   110.37  3.000
 AYO  H5   C6   H4   106.73  3.000
 AYO  H5   C6   C7   109.83  3.000
 AYO  H4   C6   C7   110.16  3.000
 AYO  H5   C6   C5   107.97  3.000
 AYO  H4   C6   C5   109.63  3.000
 AYO  C7   C6   C5   112.34  3.000
 AYO  H6   N2   C19  117.16  3.000
 AYO  H6   N2   C1   117.71  3.000
 AYO  C19  N2   C1   125.11  3.000
 AYO  H8   C7   H7   105.69  3.000
 AYO  H8   C7   C17  107.82  3.000
 AYO  H7   C7   C17  108.06  3.000
 AYO  H8   C7   C6   111.02  3.000
 AYO  H7   C7   C6   110.81  3.000
 AYO  C17  C7   C6   113.11  3.000
 AYO  N9   C8   C12  111.36  3.000
 AYO  C12  C8   C5   127.33  3.000
 AYO  N9   C8   C5   121.08  3.000
 AYO  C16  C11  O10  116.26  3.000
 AYO  C16  C11  C12  133.80  3.000
 AYO  O10  C11  C12  109.94  3.000
 AYO  C13  C12  C11  129.58  3.000
 AYO  C13  C12  C8   127.80  3.000
 AYO  C11  C12  C8   102.62  3.000
 AYO  H9   C13  C15  115.37  3.000
 AYO  H9   C13  C14  115.96  3.000
 AYO  C15  C13  C14   59.73  3.000
 AYO  H9   C13  C12  115.16  3.000
 AYO  C14  C13  C12  119.99  3.000
 AYO  C15  C13  C12  119.46  3.000
 AYO  H11  C14  H10  114.27  3.000
 AYO  H11  C14  C15  117.83  3.000
 AYO  H10  C14  C15  118.73  3.000
 AYO  H11  C14  C13  117.77  3.000
 AYO  H10  C14  C13  117.56  3.000
 AYO  C15  C14  C13   60.36  3.000
 AYO  H13  C15  H12  114.33  3.000
 AYO  H13  C15  C14  118.93  3.000
 AYO  H12  C15  C14  117.69  3.000
 AYO  H13  C15  C13  117.79  3.000
 AYO  H12  C15  C13  117.65  3.000
 AYO  C14  C15  C13   59.91  3.000
 AYO  H14  O27  C17  110.01  3.000
 AYO  O18  C17  O27  123.08  3.000
 AYO  O27  C17  C7   111.79  3.000
 AYO  O18  C17  C7   125.12  3.000
 AYO  C20  C19  C24  118.01  3.000
 AYO  C24  C19  N2   120.25  3.000
 AYO  C20  C19  N2   121.71  3.000
 AYO  C23  C24  CL1  118.70  3.000
 AYO  C23  C24  C19  121.70  3.000
 AYO  CL1  C24  C19  119.60  3.000
 AYO  H15  C23  C22  121.02  3.000
 AYO  H15  C23  C24  120.27  3.000
 AYO  C22  C23  C24  118.70  3.000
 AYO  C21  C22  CL2  119.76  3.000
 AYO  CL2  C22  C23  119.17  3.000
 AYO  C21  C22  C23  121.06  3.000
 AYO  H16  C21  C20  119.98  3.000
 AYO  H16  C21  C22  120.72  3.000
 AYO  C20  C21  C22  119.29  3.000
 AYO  H17  C20  C21  118.86  3.000
 AYO  H17  C20  C19  119.89  3.000
 AYO  C21  C20  C19  121.23  3.000
 AYO  N9   O10  C11  109.51  3.000
 AYO  O10  N9   C8   106.55  3.000
 AYO  C28  C16  N31  111.42  3.000
 AYO  C28  C16  C11  127.92  3.000
 AYO  N31  C16  C11  120.66  3.000
 AYO  O30  N31  C16  105.69  3.000
 AYO  C29  O30  N31  110.64  3.000
 AYO  C32  C29  C28  132.97  3.000
 AYO  C32  C29  O30  118.38  3.000
 AYO  C28  C29  O30  108.65  3.000
 AYO  H18  C28  C29  127.78  3.000
 AYO  H18  C28  C16  128.63  3.000
 AYO  C29  C28  C16  103.59  3.000
 AYO  H20  C32  H19  106.72  3.000
 AYO  H20  C32  C33  108.78  3.000
 AYO  H19  C32  C33  109.06  3.000
 AYO  H20  C32  C29  107.58  3.000
 AYO  H19  C32  C29  109.09  3.000
 AYO  C33  C32  C29  115.27  3.000
 AYO  C34  C33  C35  109.45  3.000
 AYO  C35  C33  C36  109.43  3.000
 AYO  C34  C33  C36  109.63  3.000
 AYO  C36  C33  C32  110.67  3.000
 AYO  C35  C33  C32  106.99  3.000
 AYO  C34  C33  C32  110.62  3.000
 AYO  H23  C36  H22  107.12  3.000
 AYO  H23  C36  H21  108.02  3.000
 AYO  H22  C36  H21  107.57  3.000
 AYO  H23  C36  C33  112.06  3.000
 AYO  H22  C36  C33  110.38  3.000
 AYO  H21  C36  C33  111.49  3.000
 AYO  H26  C35  H25  107.78  3.000
 AYO  H26  C35  H24  107.84  3.000
 AYO  H25  C35  H24  107.64  3.000
 AYO  H26  C35  C33  111.36  3.000
 AYO  H25  C35  C33  110.71  3.000
 AYO  H24  C35  C33  111.35  3.000
 AYO  H29  C34  H28  107.57  3.000
 AYO  H29  C34  H27  107.88  3.000
 AYO  H28  C34  H27  107.41  3.000
 AYO  H29  C34  C33  111.59  3.000
 AYO  H28  C34  C33  110.35  3.000
 AYO  H27  C34  C33  111.84  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
 AYO  CONST_01  C11  O10  N9   C8      0.00   0.0  0
 AYO  CONST_02  O10  C11  C12  C8      0.00   0.0  0
 AYO  CONST_03  C16  C11  C12  C8    180.00   0.0  0
 AYO  CONST_04  N9   C8   C12  C11     0.00   0.0  0
 AYO  CONST_05  O30  N31  C16  C11   180.00   0.0  0
 AYO  CONST_06  C29  C28  C16  C11   180.00   0.0  0
 AYO  CONST_07  O10  N9   C8   C12     0.00   0.0  0
 AYO  CONST_08  N9   O10  C11  C12     0.00   0.0  0
 AYO  CONST_11  C22  C21  C20  C19     0.00   0.0  0
 AYO  CONST_12  C22  C23  C24  C19     0.00   0.0  0
 AYO  CONST_13  C21  C20  C19  C24     0.00   0.0  0
 AYO  CONST_14  C21  C22  C23  C24     0.00   0.0  0
 AYO  CONST_15  C20  C19  C24  C23     0.00   0.0  0
 AYO  CONST_16  C20  C21  C22  C23     0.00   0.0  0
 AYO  CONST_19  C16  C11  O10  N9    180.00   0.0  0
 AYO  CONST_20  C29  O30  N31  C16     0.00   0.0  0
 AYO  CONST_21  O30  C29  C28  C16     0.00   0.0  0
 AYO  CONST_22  C29  C28  C16  N31     0.00   0.0  0
 AYO  CONST_23  C28  C29  O30  N31     0.00   0.0  0
 AYO  CONST_24  C28  C16  N31  O30     0.00   0.0  0
 AYO  CONST_25  N9   C8   C12  C13   180.00   0.0  0
 AYO  CONST_26  O10  C11  C12  C13   180.00   0.0  0
 AYO  CONST_27  C16  C11  C12  C13     0.00   0.0  0
 AYO  CONST_28  O10  N9   C8   C5    180.00   0.0  0
 AYO  CONST_29  C11  C12  C8   C5    180.00   0.0  0
 AYO  CONST_30  C13  C12  C8   C5      0.00   0.0  0
 AYO  CONST_31  C21  C20  C19  N2    180.00   0.0  0
 AYO  CONST_32  C23  C24  C19  N2    180.00   0.0  0
 AYO  CONST_33  CL2  C22  C23  C24   180.00   0.0  0
 AYO  CONST_34  C20  C19  C24  CL1   180.00   0.0  0
 AYO  CONST_35  C22  C23  C24  CL1   180.00   0.0  0
 AYO  CONST_36  C20  C21  C22  CL2   180.00   0.0  0
 AYO  CONST_37  C32  C29  C28  C16   180.00   0.0  0
 AYO  CONST_38  C32  C29  O30  N31   180.00   0.0  0
 AYO  CONST_39  H18  C28  C16  C11     0.00   0.0  0
 AYO  CONST_40  H16  C21  C20  C19   180.00   0.0  0
 AYO  CONST_41  H15  C23  C24  C19   180.00   0.0  0
 AYO  CONST_42  H17  C20  C19  C24   180.00   0.0  0
 AYO  CONST_46  C19  N2   C1   C4    180.00   0.0  0
 AYO  CONST_47  C19  N2   C1   O3      0.00   0.0  0
 AYO  CONST_48  H14  O27  C17  C7    180.00   0.0  0
 AYO  Var_01    C15  C13  C12  C8    -58.24  30.0  2
 AYO  Var_02    C14  C15  C13  C12  -109.57  30.0  1
 AYO  Var_03    C33  C32  C29  O30   -89.76  30.0  2
 AYO  Var_04    C34  C33  C32  C29   -59.46  30.0  3
 AYO  Var_05    C17  C7   C6   C5   -177.86  30.0  3
 AYO  Var_06    N2   C1   C4   C5   -105.64  30.0  3
 AYO  Var_07    O18  C17  C7   C6     -0.07  30.0  2
 AYO  Var_08    H27  C34  C33  C32    65.55  30.0  3
 AYO  Var_09    H24  C35  C33  C32    60.01  30.0  3
 AYO  Var_10    H21  C36  C33  C32    56.01  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
 AYO  chir_01  C5   C6   C4   C8   negativ
 AYO  chir_02  C13  C12  C15  C14  both

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
 AYO  plan-1  C5   0.020
 AYO  plan-1  C8   0.020
 AYO  plan-1  C11  0.020
 AYO  plan-1  C12  0.020
 AYO  plan-1  C13  0.020
 AYO  plan-1  O10  0.020
 AYO  plan-1  N9   0.020
 AYO  plan-1  C16  0.020
 AYO  plan-2  C11  0.020
 AYO  plan-2  C16  0.020
 AYO  plan-2  N31  0.020
 AYO  plan-2  O30  0.020
 AYO  plan-2  C29  0.020
 AYO  plan-2  C28  0.020
 AYO  plan-2  C32  0.020
 AYO  plan-2  H18  0.020
 AYO  plan-3  N2   0.020
 AYO  plan-3  C19  0.020
 AYO  plan-3  C24  0.020
 AYO  plan-3  CL1  0.020
 AYO  plan-3  C23  0.020
 AYO  plan-3  C22  0.020
 AYO  plan-3  CL2  0.020
 AYO  plan-3  C21  0.020
 AYO  plan-3  C20  0.020
 AYO  plan-3  H15  0.020
 AYO  plan-3  H16  0.020
 AYO  plan-3  H17  0.020
 AYO  plan-4  C1   0.020
 AYO  plan-4  C4   0.020
 AYO  plan-4  N2   0.020
 AYO  plan-4  O3   0.020
 AYO  plan-4  C19  0.020
 AYO  plan-4  H6   0.020
 AYO  plan-5  C7   0.020
 AYO  plan-5  O27  0.020
 AYO  plan-5  C17  0.020
 AYO  plan-5  O18  0.020
 AYO  plan-5  H14  0.020

