# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Apr 17 05:22:41 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  64  36  .  2022-09-16  2022-09-16
;
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  -2.4684   1.6999   0.4691
 AYO  C4   C   CH2    0  -0.552  -2.0624   3.0647  -0.0374
 AYO  C5   C   CH1    0  -0.329  -0.5913   3.3551   0.3231
 AYO  C6   C   CH2    0  -0.392  -0.1376   4.6926  -0.2639
 AYO  N2   N   NH1    0  -0.733  -2.5769   0.7480  -0.4962
 AYO  C7   C   CH2    0  -0.602   1.2804   5.0646   0.1335
 AYO  C8   C   CR5    0   0.250   0.2510   2.1967  -0.1176
 AYO  C11  C   CR5    0   0.430   1.3358   0.3133  -0.2116
 AYO  C12  C   CR5    0  -0.145   0.8072   1.1705   0.7015
 AYO  C13  C   CH1    0  -0.350   0.8098   1.0888   2.1735
 AYO  C14  C   CH2    0  -0.471   2.0944   0.8573   2.9074
 AYO  C15  C   CH2    0  -0.488   1.4340   2.1962   2.9761
 AYO  O27  O   OC    -1  -0.631   2.9269   6.7575  -0.0294
 AYO  C17  C   C      0   0.422   1.7673   6.4376  -0.3655
 AYO  O18  O   O      0  -0.606   0.9843   7.1167  -1.0575
 AYO  O3   O   O      0  -0.455  -2.6327   1.4650   1.6519
 AYO  C19  C   CR6    0   0.427  -2.8351  -0.6063  -0.2602
 AYO  C24  C   CR6    0  -0.115  -3.7903  -1.2831  -1.0178
 AYO  CL1  CL  CL     0  -0.092  -4.6873  -0.4271  -2.2202
 AYO  C23  C   CR16   0  -0.173  -4.0407  -2.6339  -0.8359
 AYO  C22  C   CR6    0  -0.054  -3.3330  -3.3155   0.1387
 AYO  CL2  CL  CL     0  -0.113  -3.6444  -4.9984   0.3849
 AYO  C21  C   CR16   0  -0.208  -2.3776  -2.6728   0.9103
 AYO  C20  C   CR16   0  -0.285  -2.1315  -1.3281   0.7004
 AYO  O10  O   O      0  -0.350   1.1475   0.7883  -1.4458
 AYO  N9   N   N      0  -0.158   0.4658   1.9619  -1.3795
 AYO  C16  C   CR5    0   0.145   2.0211  -0.9581  -0.1120
 AYO  N31  N   N      0  -0.158   1.9067  -1.6943   0.9612
 AYO  O30  O   O      0  -0.330   2.6619  -2.7942   0.7330
 AYO  C29  C   CR5    0   0.445   3.2321  -2.7323  -0.4782
 AYO  C28  C   CR15   0  -0.484   2.8511  -1.5781  -1.0785
 AYO  C32  C   CH2    0  -0.523   4.1222  -3.8433  -0.8948
 AYO  C33  C   CT     0  -0.098   5.6151  -3.6677  -0.5253
 AYO  C36  C   CH3    0  -0.643   5.7914  -3.5958   0.9915
 AYO  C35  C   CH3    0  -0.643   6.3563  -4.8909  -1.0662
 AYO  C34  C   CH3    0  -0.642   6.1836  -2.4037  -1.1681
 AYO  H1   H   HCH2   0   0.258  -2.1947   3.1495  -1.1181
 AYO  H2   H   HCH2   0   0.283  -2.6994   3.8155   0.4328
 AYO  H3   H   HCH1   0   0.273  -0.5207   3.4102   1.4123
 AYO  H4   H   HCH2   0   0.217  -0.2302   4.6625  -1.3524
 AYO  H5   H   HCH2   0   0.227  -0.8325   5.4620   0.0805
 AYO  H6   H   HNH1   0   0.409  -2.4905   1.0411  -1.4574
 AYO  H7   H   HCH2   0   0.224   1.3772   5.0457   1.2252
 AYO  H8   H   HCH2   0   0.229   1.9838   4.3065  -0.2281
 AYO  H9   H   HCH1   0   0.282  -0.0748   0.6383   2.6114
 AYO  H10  H   HCH2   0   0.255   2.0657   0.2177   3.7795
 AYO  H11  H   HCH2   0   0.249   3.0005   0.7703   2.3218
 AYO  H12  H   HCH2   0   0.255   1.8908   3.0136   2.4322
 AYO  H13  H   HCH2   0   0.257   0.9442   2.4903   3.8950
 AYO  H15  H   HCR6   0   0.305  -4.7830  -3.1370  -1.4396
 AYO  H16  H   HCR6   0   0.289  -1.8180  -3.2139   1.6604
 AYO  H17  H   HCR6   0   0.291  -1.3618  -0.8416   1.2811
 AYO  H18  H   HCR5   0   0.289   3.1291  -1.2198  -2.0549
 AYO  H19  H   HCH2   0   0.269   3.7548  -4.7774  -0.4610
 AYO  H20  H   HCH2   0   0.270   4.0381  -3.9455  -1.9792
 AYO  H21  H   HCH3   0   0.227   5.3664  -4.4721   1.4863
 AYO  H22  H   HCH3   0   0.230   6.8516  -3.5539   1.2492
 AYO  H23  H   HCH3   0   0.227   5.3222  -2.7068   1.4169
 AYO  H24  H   HCH3   0   0.227   6.2534  -4.9706  -2.1506
 AYO  H25  H   HCH3   0   0.232   7.4220  -4.8280  -0.8388
 AYO  H26  H   HCH3   0   0.227   5.9753  -5.8145  -0.6254
 AYO  H27  H   HCH3   0   0.230   5.7225  -1.5006  -0.7649
 AYO  H28  H   HCH3   0   0.232   7.2571  -2.3333  -0.9822
 AYO  H29  H   HCH3   0   0.226   6.0349  -2.4017  -2.2502

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  deloc     1.246  0.020  1.246
 AYO  C17  O27  deloc     1.249  0.020  1.249
 AYO  C17  C7   single    1.540  0.020  1.540
 AYO  C6   C7   single    1.519  0.020  1.519
 AYO  C6   C5   single    1.529  0.020  1.529
 AYO  C4   C5   single    1.542  0.020  1.542
 AYO  C4   C1   single    1.511  0.020  1.511
 AYO  N2   C1   single    1.360  0.020  1.360
 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  1.359  0.020  1.359
 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  1.426  0.020  1.426
 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  1.359  0.020  1.359
 AYO  C12  C13  single    1.474  0.020  1.474
 AYO  C11  C16  single    1.448  0.020  1.448
 AYO  C13  C15  single    1.503  0.020  1.503
 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  1.354  0.020  1.354
 AYO  C15  C14  single    1.495  0.020  1.495
 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  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   122.95  3.000
 AYO  O3   C1   C4   122.43  3.000
 AYO  N2   C1   C4   114.55  3.000
 AYO  H2   C4   H1   107.60  3.000
 AYO  H2   C4   C5   109.06  3.000
 AYO  H1   C4   C5   109.41  3.000
 AYO  H2   C4   C1   108.67  3.000
 AYO  H1   C4   C1   111.67  3.000
 AYO  C5   C4   C1   110.36  3.000
 AYO  H3   C5   C8   107.20  3.000
 AYO  H3   C5   C6   108.61  3.000
 AYO  C8   C5   C6   113.35  3.000
 AYO  H3   C5   C4   107.71  3.000
 AYO  C8   C5   C4   108.78  3.000
 AYO  C6   C5   C4   110.97  3.000
 AYO  H5   C6   H4   106.23  3.000
 AYO  H5   C6   C7   109.80  3.000
 AYO  H4   C6   C7   110.26  3.000
 AYO  H5   C6   C5   107.84  3.000
 AYO  H4   C6   C5   109.45  3.000
 AYO  C7   C6   C5   113.00  3.000
 AYO  H6   N2   C19  117.25  3.000
 AYO  H6   N2   C1   117.79  3.000
 AYO  C19  N2   C1   124.93  3.000
 AYO  H8   C7   H7   105.07  3.000
 AYO  H8   C7   C17  107.88  3.000
 AYO  H7   C7   C17  108.07  3.000
 AYO  H8   C7   C6   110.09  3.000
 AYO  H7   C7   C6   109.80  3.000
 AYO  C17  C7   C6   115.39  3.000
 AYO  N9   C8   C12  111.27  3.000
 AYO  C12  C8   C5   127.35  3.000
 AYO  N9   C8   C5   121.16  3.000
 AYO  C16  C11  O10  116.27  3.000
 AYO  C16  C11  C12  133.75  3.000
 AYO  O10  C11  C12  109.97  3.000
 AYO  C13  C12  C11  129.42  3.000
 AYO  C13  C12  C8   127.89  3.000
 AYO  C11  C12  C8   102.69  3.000
 AYO  H9   C13  C15  115.40  3.000
 AYO  H9   C13  C14  115.94  3.000
 AYO  C15  C13  C14   59.74  3.000
 AYO  H9   C13  C12  115.12  3.000
 AYO  C14  C13  C12  119.96  3.000
 AYO  C15  C13  C12  119.53  3.000
 AYO  H11  C14  H10  114.26  3.000
 AYO  H11  C14  C15  117.83  3.000
 AYO  H10  C14  C15  118.74  3.000
 AYO  H11  C14  C13  117.74  3.000
 AYO  H10  C14  C13  117.62  3.000
 AYO  C15  C14  C13   60.33  3.000
 AYO  H13  C15  H12  114.35  3.000
 AYO  H13  C15  C14  118.86  3.000
 AYO  H12  C15  C14  117.82  3.000
 AYO  H13  C15  C13  117.76  3.000
 AYO  H12  C15  C13  117.58  3.000
 AYO  C14  C15  C13   59.93  3.000
 AYO  O18  C17  O27  126.38  3.000
 AYO  O27  C17  C7   115.77  3.000
 AYO  O18  C17  C7   117.85  3.000
 AYO  C20  C19  C24  117.99  3.000
 AYO  C24  C19  N2   120.32  3.000
 AYO  C20  C19  N2   121.67  3.000
 AYO  C23  C24  CL1  118.73  3.000
 AYO  C23  C24  C19  121.71  3.000
 AYO  CL1  C24  C19  119.56  3.000
 AYO  H15  C23  C22  121.01  3.000
 AYO  H15  C23  C24  120.29  3.000
 AYO  C22  C23  C24  118.69  3.000
 AYO  C21  C22  CL2  119.75  3.000
 AYO  CL2  C22  C23  119.18  3.000
 AYO  C21  C22  C23  121.07  3.000
 AYO  H16  C21  C20  119.99  3.000
 AYO  H16  C21  C22  120.73  3.000
 AYO  C20  C21  C22  119.27  3.000
 AYO  H17  C20  C21  118.89  3.000
 AYO  H17  C20  C19  119.84  3.000
 AYO  C21  C20  C19  121.25  3.000
 AYO  N9   O10  C11  109.44  3.000
 AYO  O10  N9   C8   106.61  3.000
 AYO  C28  C16  N31  111.41  3.000
 AYO  C28  C16  C11  127.93  3.000
 AYO  N31  C16  C11  120.66  3.000
 AYO  O30  N31  C16  105.70  3.000
 AYO  C29  O30  N31  110.63  3.000
 AYO  C32  C29  C28  133.00  3.000
 AYO  C32  C29  O30  118.34  3.000
 AYO  C28  C29  O30  108.66  3.000
 AYO  H18  C28  C29  127.77  3.000
 AYO  H18  C28  C16  128.63  3.000
 AYO  C29  C28  C16  103.60  3.000
 AYO  H20  C32  H19  106.74  3.000
 AYO  H20  C32  C33  108.77  3.000
 AYO  H19  C32  C33  109.04  3.000
 AYO  H20  C32  C29  107.62  3.000
 AYO  H19  C32  C29  109.07  3.000
 AYO  C33  C32  C29  115.26  3.000
 AYO  C34  C33  C35  109.43  3.000
 AYO  C35  C33  C36  109.43  3.000
 AYO  C34  C33  C36  109.61  3.000
 AYO  C36  C33  C32  110.69  3.000
 AYO  C35  C33  C32  107.00  3.000
 AYO  C34  C33  C32  110.63  3.000
 AYO  H23  C36  H22  107.11  3.000
 AYO  H23  C36  H21  108.03  3.000
 AYO  H22  C36  H21  107.55  3.000
 AYO  H23  C36  C33  112.05  3.000
 AYO  H22  C36  C33  110.36  3.000
 AYO  H21  C36  C33  111.52  3.000
 AYO  H26  C35  H25  107.78  3.000
 AYO  H26  C35  H24  107.83  3.000
 AYO  H25  C35  H24  107.64  3.000
 AYO  H26  C35  C33  111.38  3.000
 AYO  H25  C35  C33  110.70  3.000
 AYO  H24  C35  C33  111.34  3.000
 AYO  H29  C34  H28  107.60  3.000
 AYO  H29  C34  H27  107.88  3.000
 AYO  H28  C34  H27  107.41  3.000
 AYO  H29  C34  C33  111.57  3.000
 AYO  H28  C34  C33  110.34  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  Var_01    C15  C13  C12  C8    -57.96  30.0  2
 AYO  Var_02    C14  C15  C13  C12  -109.51  30.0  1
 AYO  Var_03    C33  C32  C29  O30   -89.81  30.0  2
 AYO  Var_04    C34  C33  C32  C29   -59.58  30.0  3
 AYO  Var_05    C17  C7   C6   C5   -176.86  30.0  3
 AYO  Var_06    N2   C1   C4   C5   -105.60  30.0  3
 AYO  Var_07    O18  C17  C7   C6     -0.92  30.0  2
 AYO  Var_08    H27  C34  C33  C32    65.77  30.0  3
 AYO  Var_09    H24  C35  C33  C32    60.21  30.0  3
 AYO  Var_10    H21  C36  C33  C32    55.92  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

