# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Thu Jun 18 00:35:37 2020
#   Inital geometry file: a 160 line input string
#   Ligand name: tert-butyl {(2S,3R)-4-[(4S)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@@H]1CN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[S](=O)(=O)c3ccc(F)cc3C1
#
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
 9Y9  9Y9  'tert-butyl {(2S,3R)-4-[(4S)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate'  ligand  67  34  .  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_9Y9
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
 9Y9  C1    C  CR16  0  -0.426   3.9693   3.1178   1.1057
 9Y9  C2    C  CR6   0   0.572   4.3223   3.2514  -0.2222
 9Y9  C3    C  CR16  0  -0.485   4.3064   2.1881  -1.1000
 9Y9  C4    C  CR16  0  -0.216   3.5866   1.8646   1.5441
 9Y9  F5    F  F     0  -0.306   4.6943   4.4533  -0.6758
 9Y9  C6    C  CR6   0   0.237   3.9229   0.9167  -0.6750
 9Y9  C7    C  CR6   0  -0.268   3.5618   0.7807   0.6700
 9Y9  S8    S  S     0   1.373   3.0955  -0.7697   1.4053
 9Y9  C9    C  CH2   0  -0.520   3.8957  -0.1726  -1.7185
 9Y9  N10   N  N     0  -0.606   2.3875  -1.6296   0.2138
 9Y9  C11   C  CH1   0  -0.300   4.3834  -1.5634  -1.2979
 9Y9  C12   C  CH2   0  -0.240   3.2462  -2.3856  -0.6945
 9Y9  C13   C  CH3   0  -0.667   4.9520  -2.3182  -2.4948
 9Y9  C14   C  CH2   0  -0.322   0.9493  -1.8704   0.2538
 9Y9  O15   O  OS    0  -0.648   2.0864  -0.4779   2.4153
 9Y9  O16   O  OS    0  -0.651   4.3175  -1.4404   1.8267
 9Y9  C17   C  CH1   0   0.024   0.1305  -0.6984  -0.2771
 9Y9  C18   C  CH1   0  -0.084  -1.3685  -0.8857  -0.0032
 9Y9  N19   N  NH1   0  -0.660  -2.0690   0.3110  -0.3977
 9Y9  C20   C  CH2   0  -0.558  -1.9577  -2.1311  -0.6908
 9Y9  C21   C  CR6   0   0.156  -3.4331  -2.2646  -0.4451
 9Y9  C22   C  CR16  0  -0.309  -4.3564  -1.7338  -1.3415
 9Y9  C23   C  CR16  0  -0.230  -5.7198  -1.8138  -1.0915
 9Y9  C24   C  CR16  0  -0.269  -6.1807  -2.4301   0.0632
 9Y9  C25   C  CR16  0  -0.243  -5.2685  -2.9693   0.9617
 9Y9  C26   C  CR16  0  -0.295  -3.9072  -2.8843   0.7080
 9Y9  C27   C  C     0   0.771  -3.0508   0.8704   0.3454
 9Y9  O28   O  O     0  -0.510  -3.3359   0.5339   1.4753
 9Y9  O29   O  O2    0  -0.506  -3.6235   1.8615  -0.3390
 9Y9  O30   O  OH1   0  -0.652   0.3931  -0.4273  -1.6349
 9Y9  C31   C  CT    0   0.193  -4.7484   2.6199   0.1743
 9Y9  C32   C  CH3   0  -0.662  -5.9641   1.7200   0.3577
 9Y9  C33   C  CH3   0  -0.672  -4.3905   3.3573   1.4602
 9Y9  C34   C  CH3   0  -0.659  -5.0131   3.6300  -0.9359
 9Y9  H1    H  HCR6  0   0.293   3.9880   3.9623   1.7804
 9Y9  H3    H  HCR6  0   0.285   4.5917   2.3465  -2.1326
 9Y9  H4    H  HCR6  0   0.289   3.3017   1.7419   2.5800
 9Y9  H9    H  HCH2  0   0.277   2.8758  -0.2474  -2.1085
 9Y9  H9A   H  HCH2  0   0.267   4.5088   0.1746  -2.5523
 9Y9  H11   H  HCH1  0   0.257   5.1865  -1.4545  -0.5654
 9Y9  H12   H  HCH2  0   0.259   3.6374  -3.2857  -0.2117
 9Y9  H12A  H  HCH2  0   0.254   2.5999  -2.7141  -1.5097
 9Y9  H13   H  HCH3  0   0.241   5.8404  -1.8178  -2.8795
 9Y9  H13A  H  HCH3  0   0.238   5.2358  -3.3359  -2.2230
 9Y9  H13B  H  HCH3  0   0.225   4.2215  -2.3784  -3.3041
 9Y9  H14   H  HCH2  0   0.272   0.7757  -2.7682  -0.3425
 9Y9  H14A  H  HCH2  0   0.273   0.6226  -2.1196   1.2642
 9Y9  H17   H  HCH1  0   0.251   0.4321   0.2040   0.2627
 9Y9  H18   H  HCH1  0   0.267  -1.4890  -0.9964   1.0760
 9Y9  HN19  H  HNH1  0   0.388  -1.9563   0.6210  -1.3508
 9Y9  H20   H  HCH2  0   0.245  -1.7739  -2.0796  -1.7681
 9Y9  H20A  H  HCH2  0   0.265  -1.4424  -3.0217  -0.3226
 9Y9  H22   H  HCR6  0   0.243  -4.0072  -1.2566  -2.2496
 9Y9  H23   H  HCR6  0   0.247  -6.4220  -1.3951  -1.8015
 9Y9  H24   H  HCR6  0   0.249  -7.2429  -2.4951   0.2610
 9Y9  H25   H  HCR6  0   0.250  -5.6187  -3.4577   1.8623
 9Y9  H26   H  HCR6  0   0.241  -3.2039  -3.3077   1.4163
 9Y9  HO30  H  HOH1  0   0.449   0.2658  -1.2275  -2.1557
 9Y9  H32   H  HCH3  0   0.246  -5.8099   0.9686   1.1284
 9Y9  H32A  H  HCH3  0   0.229  -6.8219   2.3283   0.6473
 9Y9  H32B  H  HCH3  0   0.232  -6.2171   1.2107  -0.5729
 9Y9  H33   H  HCH3  0   0.233  -3.4598   3.9158   1.3459
 9Y9  H33A  H  HCH3  0   0.231  -5.1780   4.0780   1.6849
 9Y9  H33B  H  HCH3  0   0.245  -4.2947   2.6897   2.3128
 9Y9  H34   H  HCH3  0   0.236  -5.2268   3.1330  -1.8833
 9Y9  H34A  H  HCH3  0   0.229  -5.8751   4.2465  -0.6817
 9Y9  H34B  H  HCH3  0   0.235  -4.1596   4.2949  -1.0806

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
 9Y9  C1   C4    aromatic  1.382  0.020  1.382
 9Y9  C1   C2    aromatic  1.380  0.020  1.380
 9Y9  C1   H1    single    0.930  0.020  1.080
 9Y9  F5   C2    single    1.337  0.020  1.337
 9Y9  C2   C3    aromatic  1.379  0.020  1.379
 9Y9  C3   C6    aromatic  1.394  0.020  1.394
 9Y9  C3   H3    single    0.930  0.020  1.080
 9Y9  C4   C7    aromatic  1.393  0.020  1.393
 9Y9  C4   H4    single    0.930  0.020  1.080
 9Y9  C7   C6    aromatic  1.399  0.020  1.399
 9Y9  C6   C9    single    1.509  0.020  1.509
 9Y9  C7   S8    single    1.778  0.020  1.778
 9Y9  O16  S8    double    1.456  0.020  1.456
 9Y9  S8   N10   single    1.631  0.020  1.631
 9Y9  S8   O15   double    1.457  0.020  1.457
 9Y9  C9   C11   single    1.533  0.020  1.533
 9Y9  C9   H9    single    0.970  0.020  1.090
 9Y9  C9   H9A   single    0.970  0.020  1.090
 9Y9  C14  N10   single    1.459  0.020  1.459
 9Y9  N10  C12   single    1.461  0.020  1.461
 9Y9  C12  C11   single    1.528  0.020  1.528
 9Y9  C11  C13   single    1.525  0.020  1.525
 9Y9  C11  H11   single    0.970  0.020  1.090
 9Y9  C12  H12   single    0.970  0.020  1.090
 9Y9  C12  H12A  single    0.970  0.020  1.090
 9Y9  C13  H13   single    0.970  0.020  1.090
 9Y9  C13  H13A  single    0.970  0.020  1.090
 9Y9  C13  H13B  single    0.970  0.020  1.090
 9Y9  C14  C17   single    1.525  0.020  1.525
 9Y9  C14  H14   single    0.970  0.020  1.090
 9Y9  C14  H14A  single    0.970  0.020  1.090
 9Y9  O30  C17   single    1.409  0.020  1.409
 9Y9  C18  C17   single    1.535  0.020  1.535
 9Y9  C17  H17   single    0.970  0.020  1.090
 9Y9  C20  C18   single    1.540  0.020  1.540
 9Y9  C18  N19   single    1.442  0.020  1.442
 9Y9  C18  H18   single    0.970  0.020  1.090
 9Y9  N19  C27   single    1.352  0.020  1.352
 9Y9  N19  HN19  single    0.860  0.020  1.020
 9Y9  C21  C20   single    1.502  0.020  1.502
 9Y9  C20  H20   single    0.970  0.020  1.090
 9Y9  C20  H20A  single    0.970  0.020  1.090
 9Y9  C26  C21   aromatic  1.392  0.020  1.392
 9Y9  C21  C22   aromatic  1.392  0.020  1.392
 9Y9  C23  C22   aromatic  1.388  0.020  1.388
 9Y9  C22  H22   single    0.930  0.020  1.080
 9Y9  C24  C23   aromatic  1.388  0.020  1.388
 9Y9  C23  H23   single    0.930  0.020  1.080
 9Y9  C25  C24   aromatic  1.389  0.020  1.389
 9Y9  C24  H24   single    0.930  0.020  1.080
 9Y9  C25  C26   aromatic  1.387  0.020  1.387
 9Y9  C25  H25   single    0.930  0.020  1.080
 9Y9  C26  H26   single    0.930  0.020  1.080
 9Y9  C27  O29   single    1.334  0.020  1.334
 9Y9  C27  O28   double    1.213  0.020  1.213
 9Y9  O29  C31   single    1.450  0.020  1.450
 9Y9  O30  HO30  single    0.850  0.020  0.980
 9Y9  C31  C33   single    1.525  0.020  1.525
 9Y9  C31  C34   single    1.524  0.020  1.524
 9Y9  C31  C32   single    1.524  0.020  1.524
 9Y9  C32  H32   single    0.970  0.020  1.090
 9Y9  C32  H32A  single    0.970  0.020  1.090
 9Y9  C32  H32B  single    0.970  0.020  1.090
 9Y9  C33  H33   single    0.970  0.020  1.090
 9Y9  C33  H33A  single    0.970  0.020  1.090
 9Y9  C33  H33B  single    0.970  0.020  1.090
 9Y9  C34  H34   single    0.970  0.020  1.090
 9Y9  C34  H34A  single    0.970  0.020  1.090
 9Y9  C34  H34B  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
 9Y9  H1    C1   C4    121.01  3.000
 9Y9  H1    C1   C2    121.35  3.000
 9Y9  C4    C1   C2    117.64  3.000
 9Y9  F5    C2   C3    118.70  3.000
 9Y9  C3    C2   C1    122.33  3.000
 9Y9  F5    C2   C1    118.97  3.000
 9Y9  H3    C3   C6    119.77  3.000
 9Y9  H3    C3   C2    119.42  3.000
 9Y9  C6    C3   C2    120.81  3.000
 9Y9  H4    C4   C7    120.55  3.000
 9Y9  H4    C4   C1    118.67  3.000
 9Y9  C7    C4   C1    120.77  3.000
 9Y9  C9    C6   C7    126.16  3.000
 9Y9  C9    C6   C3    116.90  3.000
 9Y9  C7    C6   C3    116.91  3.000
 9Y9  S8    C7   C6    123.36  3.000
 9Y9  S8    C7   C4    115.07  3.000
 9Y9  C6    C7   C4    121.54  3.000
 9Y9  O16   S8   O15   118.21  3.000
 9Y9  O15   S8   N10   108.14  3.000
 9Y9  O16   S8   N10   109.44  3.000
 9Y9  O15   S8   C7    107.07  3.000
 9Y9  N10   S8   C7    105.75  3.000
 9Y9  O16   S8   C7    107.53  3.000
 9Y9  H9A   C9   H9    105.84  3.000
 9Y9  H9A   C9   C11   108.63  3.000
 9Y9  H9    C9   C11   109.41  3.000
 9Y9  H9A   C9   C6    106.77  3.000
 9Y9  H9    C9   C6    108.21  3.000
 9Y9  C11   C9   C6    117.36  3.000
 9Y9  C14   N10  C12   120.74  3.000
 9Y9  C12   N10  S8    118.16  3.000
 9Y9  C14   N10  S8    119.66  3.000
 9Y9  H11   C11  C13   107.55  3.000
 9Y9  H11   C11  C12   109.64  3.000
 9Y9  C13   C11  C12   108.74  3.000
 9Y9  H11   C11  C9    109.12  3.000
 9Y9  C13   C11  C9    110.63  3.000
 9Y9  C12   C11  C9    111.10  3.000
 9Y9  H12A  C12  H12   107.09  3.000
 9Y9  H12A  C12  C11   107.94  3.000
 9Y9  H12   C12  C11   110.55  3.000
 9Y9  H12A  C12  N10   105.80  3.000
 9Y9  H12   C12  N10   111.20  3.000
 9Y9  C11   C12  N10   113.87  3.000
 9Y9  H13B  C13  H13A  107.89  3.000
 9Y9  H13B  C13  H13   108.00  3.000
 9Y9  H13A  C13  H13   107.71  3.000
 9Y9  H13B  C13  C11   111.08  3.000
 9Y9  H13A  C13  C11   111.29  3.000
 9Y9  H13   C13  C11   110.72  3.000
 9Y9  H14A  C14  H14   105.69  3.000
 9Y9  H14A  C14  C17   109.71  3.000
 9Y9  H14   C14  C17   110.89  3.000
 9Y9  H14A  C14  N10   111.00  3.000
 9Y9  H14   C14  N10   106.11  3.000
 9Y9  C17   C14  N10   113.14  3.000
 9Y9  H17   C17  O30   105.38  3.000
 9Y9  H17   C17  C18   106.37  3.000
 9Y9  O30   C17  C18   112.17  3.000
 9Y9  H17   C17  C14   108.31  3.000
 9Y9  C18   C17  C14   111.61  3.000
 9Y9  O30   C17  C14   112.53  3.000
 9Y9  H18   C18  C20   108.50  3.000
 9Y9  H18   C18  N19   107.52  3.000
 9Y9  C20   C18  N19   111.30  3.000
 9Y9  H18   C18  C17   107.25  3.000
 9Y9  N19   C18  C17   108.92  3.000
 9Y9  C20   C18  C17   113.12  3.000
 9Y9  HN19  N19  C27   118.24  3.000
 9Y9  HN19  N19  C18   117.35  3.000
 9Y9  C27   N19  C18   123.07  3.000
 9Y9  H20A  C20  H20   106.92  3.000
 9Y9  H20A  C20  C21   109.62  3.000
 9Y9  H20   C20  C21   109.29  3.000
 9Y9  H20A  C20  C18   109.16  3.000
 9Y9  H20   C20  C18   109.71  3.000
 9Y9  C21   C20  C18   112.01  3.000
 9Y9  C26   C21  C22   118.50  3.000
 9Y9  C22   C21  C20   120.83  3.000
 9Y9  C26   C21  C20   120.64  3.000
 9Y9  H22   C22  C23   119.52  3.000
 9Y9  H22   C22  C21   119.59  3.000
 9Y9  C23   C22  C21   120.89  3.000
 9Y9  H23   C23  C24   120.13  3.000
 9Y9  H23   C23  C22   119.77  3.000
 9Y9  C24   C23  C22   120.10  3.000
 9Y9  H24   C24  C25   120.19  3.000
 9Y9  H24   C24  C23   120.31  3.000
 9Y9  C25   C24  C23   119.50  3.000
 9Y9  H25   C25  C26   119.81  3.000
 9Y9  H25   C25  C24   120.05  3.000
 9Y9  C26   C25  C24   120.15  3.000
 9Y9  H26   C26  C25   119.55  3.000
 9Y9  H26   C26  C21   119.60  3.000
 9Y9  C25   C26  C21   120.85  3.000
 9Y9  O29   C27  O28   125.68  3.000
 9Y9  O28   C27  N19   124.59  3.000
 9Y9  O29   C27  N19   109.71  3.000
 9Y9  C31   O29  C27   122.68  3.000
 9Y9  HO30  O30  C17   109.66  3.000
 9Y9  C34   C31  C33   109.54  3.000
 9Y9  C34   C31  C32   109.91  3.000
 9Y9  C33   C31  C32   111.80  3.000
 9Y9  C32   C31  O29   110.64  3.000
 9Y9  C34   C31  O29   102.91  3.000
 9Y9  C33   C31  O29   111.67  3.000
 9Y9  H32B  C32  H32A  107.73  3.000
 9Y9  H32B  C32  H32   108.36  3.000
 9Y9  H32A  C32  H32   107.98  3.000
 9Y9  H32B  C32  C31   110.99  3.000
 9Y9  H32A  C32  C31   109.27  3.000
 9Y9  H32   C32  C31   112.36  3.000
 9Y9  H33B  C33  H33A  107.92  3.000
 9Y9  H33B  C33  H33   108.74  3.000
 9Y9  H33A  C33  H33   107.40  3.000
 9Y9  H33B  C33  C31   112.65  3.000
 9Y9  H33A  C33  C31   108.89  3.000
 9Y9  H33   C33  C31   111.06  3.000
 9Y9  H34B  C34  H34A  107.74  3.000
 9Y9  H34B  C34  H34   108.39  3.000
 9Y9  H34A  C34  H34   107.78  3.000
 9Y9  H34B  C34  C31   111.37  3.000
 9Y9  H34A  C34  C31   110.02  3.000
 9Y9  H34   C34  C31   111.39  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
 9Y9  CONST_01  C6   C7   C4   C1      0.00   0.0  0
 9Y9  CONST_02  C6   C3   C2   C1      0.00   0.0  0
 9Y9  CONST_03  C7   C4   C1   C2      0.00   0.0  0
 9Y9  CONST_04  C7   C6   C3   C2      0.00   0.0  0
 9Y9  CONST_05  C4   C1   C2   C3      0.00   0.0  0
 9Y9  CONST_06  C4   C7   C6   C3      0.00   0.0  0
 9Y9  CONST_07  C24  C25  C26  C21     0.00   0.0  0
 9Y9  CONST_08  C24  C23  C22  C21     0.00   0.0  0
 9Y9  CONST_09  C25  C26  C21  C22     0.00   0.0  0
 9Y9  CONST_10  C25  C24  C23  C22     0.00   0.0  0
 9Y9  CONST_11  C26  C21  C22  C23     0.00   0.0  0
 9Y9  CONST_12  C26  C25  C24  C23     0.00   0.0  0
 9Y9  CONST_13  F5   C2   C1   C4    180.00   0.0  0
 9Y9  CONST_14  C6   C3   C2   F5    180.00   0.0  0
 9Y9  CONST_15  C25  C26  C21  C20   180.00   0.0  0
 9Y9  CONST_16  C23  C22  C21  C20   180.00   0.0  0
 9Y9  CONST_17  H3   C3   C2   C1    180.00   0.0  0
 9Y9  CONST_18  H4   C4   C1   C2    180.00   0.0  0
 9Y9  CONST_19  H1   C1   C2   C3    180.00   0.0  0
 9Y9  CONST_20  H25  C25  C26  C21   180.00   0.0  0
 9Y9  CONST_21  H23  C23  C22  C21   180.00   0.0  0
 9Y9  CONST_22  H26  C26  C21  C22   180.00   0.0  0
 9Y9  CONST_23  H24  C24  C23  C22   180.00   0.0  0
 9Y9  CONST_24  H22  C22  C23  C24   180.00   0.0  0
 9Y9  Var_01    C11  C9   C6   C3    141.01  30.0  1
 9Y9  Var_02    N10  S8   C7   C4    150.88  30.0  1
 9Y9  Var_03    C12  N10  S8   C7     84.04  30.0  1
 9Y9  Var_04    C11  C12  N10  S8    -50.82  30.0  1
 9Y9  Var_05    C17  C14  N10  S8     81.92  30.0  1
 9Y9  Var_06    C26  C21  C20  C18   -84.93  30.0  2
 9Y9  Var_07    O29  C27  N19  C18  -172.38  30.0  2
 9Y9  Var_08    C33  C31  O29  C27    61.48  30.0  3
 9Y9  Var_09    H33  C33  C31  O29    49.48  30.0  3
 9Y9  Var_10    H34  C34  C31  O29    58.44  30.0  3
 9Y9  Var_11    H32  C32  C31  O29    65.82  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
 9Y9  chir_01  C11  C9   C12  C13  negativ
 9Y9  chir_02  C17  O30  C14  C18  positiv
 9Y9  chir_03  C18  N19  C20  C17  negativ

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
 9Y9  plan-1  C20  0.020
 9Y9  plan-1  C21  0.020
 9Y9  plan-1  C22  0.020
 9Y9  plan-1  C23  0.020
 9Y9  plan-1  C24  0.020
 9Y9  plan-1  C25  0.020
 9Y9  plan-1  C26  0.020
 9Y9  plan-1  H22  0.020
 9Y9  plan-1  H23  0.020
 9Y9  plan-1  H24  0.020
 9Y9  plan-1  H25  0.020
 9Y9  plan-1  H26  0.020
 9Y9  plan-2  C1   0.020
 9Y9  plan-2  C2   0.020
 9Y9  plan-2  C3   0.020
 9Y9  plan-2  C4   0.020
 9Y9  plan-2  F5   0.020
 9Y9  plan-2  C6   0.020
 9Y9  plan-2  C7   0.020
 9Y9  plan-2  S8   0.020
 9Y9  plan-2  C9   0.020
 9Y9  plan-2  H1   0.020
 9Y9  plan-2  H3   0.020
 9Y9  plan-2  H4   0.020
 9Y9  plan-3  S8   0.020
 9Y9  plan-3  N10  0.020
 9Y9  plan-3  C12  0.020
 9Y9  plan-3  C14  0.020
 9Y9  plan-4  N19  0.020
 9Y9  plan-4  C27  0.020
 9Y9  plan-4  O28  0.020
 9Y9  plan-4  O29  0.020

