# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Jul 29 12:39:14 2022
#   Inital geometry file: a 128 line input string
#   Ligand name: 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3H)-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@@H]1OCC2(CCN(CC2)C3=CC(=O)N(C(=N3)C)c4cccc(Cl)c4Cl)[C@@H]1N
#
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
 3ED  3ED  "6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3H)-one"  ligand  52  28  .  2022-09-22  2022-09-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_3ED
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
 3ED  C02   C   CH1   0  -0.119  -13.3387  26.6861  33.9840
 3ED  C03   C   CH1   0   0.083  -13.9075  27.8874  33.2177
 3ED  C04   C   CH3   0  -0.704  -13.7017  29.2474  33.8531
 3ED  C06   C   CH2   0  -0.111  -15.5985  26.3016  33.4439
 3ED  C07   C   CT    0  -0.138  -14.2626  25.5529  33.4923
 3ED  C08   C   CH2   0  -0.431  -13.8301  25.1004  32.0870
 3ED  C09   C   CH2   0  -0.336  -14.6238  23.9025  31.5745
 3ED  C11   C   CR6   0   0.574  -13.7077  21.7734  32.3823
 3ED  C13   C   CR6   0   0.477  -12.4496  20.6026  30.8580
 3ED  C14   C   CH3   0  -0.757  -11.9395  20.4245  29.4664
 3ED  C16   C   CR6   0   0.356  -11.2017  18.6250  31.4870
 3ED  C17   C   CR6   0  -0.015   -9.8267  18.7947  31.6190
 3ED  C19   C   CR6   0  -0.022   -8.9721  17.7423  31.3104
 3ED  C21   C   CR16  0  -0.209   -9.4879  16.5280  30.8829
 3ED  C22   C   CR16  0  -0.265  -10.8577  16.3659  30.7598
 3ED  C23   C   CR16  0  -0.248  -11.7148  17.4112  31.0644
 3ED  C24   C   CR16  0  -0.564  -13.3413  20.9148  33.4041
 3ED  C25   C   CR6   0   0.547  -12.4865  19.8181  33.1536
 3ED  C27   C   CH2   0  -0.343  -15.1011  23.1919  33.8191
 3ED  C28   C   CH2   0  -0.446  -14.2981  24.3387  34.4229
 3ED  N01   N   NH2   0  -0.807  -13.4604  26.8705  35.4205
 3ED  N10   N   NT    0  -0.470  -14.5615  22.8087  32.5299
 3ED  N12   N   N     0  -0.500  -13.2267  21.5981  31.1144
 3ED  N15   N   NR6   0  -0.632  -12.0749  19.6982  31.8024
 3ED  O05   O   O2    0  -0.503  -15.2998  27.6283  33.0569
 3ED  O26   O   O     0  -0.494  -12.0792  18.9979  33.9655
 3ED  CL18  CL  CL    0  -0.067   -9.2103  20.3077  32.1412
 3ED  CL20  CL  CL    0  -0.087   -7.2691  17.9355  31.4575
 3ED  H1    H   HCH1  0   0.225  -12.3032  26.5007  33.6633
 3ED  H2    H   HCH1  0   0.206  -13.4343  27.9054  32.2269
 3ED  H3    H   HCH3  0   0.228  -12.6367  29.4557  33.9684
 3ED  H4    H   HCH3  0   0.240  -14.1191  30.0320  33.2212
 3ED  H5    H   HCH3  0   0.227  -14.1752  29.3159  34.8325
 3ED  H6    H   HCH2  0   0.201  -16.0806  26.2879  34.4299
 3ED  H7    H   HCH2  0   0.216  -16.3061  25.8706  32.7298
 3ED  H8    H   HCH2  0   0.238  -12.7695  24.8296  32.1088
 3ED  H9    H   HCH2  0   0.251  -13.9307  25.9125  31.3632
 3ED  H10   H   HCH2  0   0.244  -15.6755  24.1656  31.4299
 3ED  H11   H   HCH2  0   0.278  -14.2392  23.5759  30.6139
 3ED  H12   H   HCH3  0   0.278  -12.3354  21.2186  28.8406
 3ED  H13   H   HCH3  0   0.271  -10.8500  20.4646  29.4314
 3ED  H14   H   HCH3  0   0.277  -12.2432  19.4639  29.0495
 3ED  H15   H   HCR6  0   0.294   -8.8154  15.7146  30.6473
 3ED  H16   H   HCR6  0   0.282  -11.2559  15.4178  30.4263
 3ED  H17   H   HCR6  0   0.283  -12.7864  17.2940  30.9722
 3ED  H18   H   HCR6  0   0.266  -13.6657  21.0460  34.4246
 3ED  H19   H   HCH2  0   0.263  -16.1399  23.4989  33.6655
 3ED  H20   H   HCH2  0   0.270  -15.1364  22.3403  34.4934
 3ED  H21   H   HCH2  0   0.242  -13.2784  23.9903  34.6202
 3ED  H22   H   HCH2  0   0.245  -14.7387  24.6083  35.3845
 3ED  H23   H   HNH2  0   0.354  -13.0597  26.0726  35.8978
 3ED  H24   H   HNH2  0   0.354  -12.8934  27.6585  35.7083

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
 3ED  C14  C13   single    1.493  0.020  1.493
 3ED  C22  C23   aromatic  1.386  0.020  1.386
 3ED  C22  C21   aromatic  1.385  0.020  1.385
 3ED  C23  C16   aromatic  1.384  0.020  1.384
 3ED  C21  C19   aromatic  1.387  0.020  1.387
 3ED  C13  N12   double    1.289  0.020  1.289
 3ED  C13  N15   single    1.360  0.020  1.360
 3ED  N12  C11   single    1.367  0.020  1.367
 3ED  C16  C17   aromatic  1.392  0.020  1.392
 3ED  C16  N15   single    1.419  0.020  1.419
 3ED  C19  C17   aromatic  1.390  0.020  1.390
 3ED  C19  CL20  single    1.720  0.020  1.720
 3ED  C09  C08   single    1.526  0.020  1.526
 3ED  C09  N10   single    1.454  0.020  1.454
 3ED  C17  CL18  single    1.715  0.020  1.715
 3ED  N15  C25   single    1.418  0.020  1.418
 3ED  C08  C07   single    1.538  0.020  1.538
 3ED  C11  N10   single    1.350  0.020  1.350
 3ED  C11  C24   double    1.384  0.020  1.384
 3ED  N10  C27   single    1.449  0.020  1.449
 3ED  O05  C03   single    1.425  0.020  1.425
 3ED  O05  C06   single    1.414  0.020  1.414
 3ED  C25  C24   single    1.413  0.020  1.413
 3ED  C25  O26   double    1.224  0.020  1.224
 3ED  C03  C02   single    1.534  0.020  1.534
 3ED  C03  C04   single    1.515  0.020  1.515
 3ED  C07  C06   single    1.532  0.020  1.532
 3ED  C07  C02   single    1.543  0.020  1.543
 3ED  C07  C28   single    1.530  0.020  1.530
 3ED  C02  N01   single    1.453  0.020  1.453
 3ED  C27  C28   single    1.525  0.020  1.525
 3ED  C02  H1    single    0.970  0.020  1.090
 3ED  C03  H2    single    0.970  0.020  1.090
 3ED  C04  H3    single    0.970  0.020  1.090
 3ED  C04  H4    single    0.970  0.020  1.090
 3ED  C04  H5    single    0.970  0.020  1.090
 3ED  C06  H6    single    0.970  0.020  1.090
 3ED  C06  H7    single    0.970  0.020  1.090
 3ED  C08  H8    single    0.970  0.020  1.090
 3ED  C08  H9    single    0.970  0.020  1.090
 3ED  C09  H10   single    0.970  0.020  1.090
 3ED  C09  H11   single    0.970  0.020  1.090
 3ED  C14  H12   single    0.970  0.020  1.090
 3ED  C14  H13   single    0.970  0.020  1.090
 3ED  C14  H14   single    0.970  0.020  1.090
 3ED  C21  H15   single    0.930  0.020  1.080
 3ED  C22  H16   single    0.930  0.020  1.080
 3ED  C23  H17   single    0.930  0.020  1.080
 3ED  C24  H18   single    0.930  0.020  1.080
 3ED  C27  H19   single    0.970  0.020  1.090
 3ED  C27  H20   single    0.970  0.020  1.090
 3ED  C28  H21   single    0.970  0.020  1.090
 3ED  C28  H22   single    0.970  0.020  1.090
 3ED  N01  H23   single    0.890  0.020  1.040
 3ED  N01  H24   single    0.890  0.020  1.040

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
 3ED  H1    C02  N01  112.86  3.000
 3ED  H1    C02  C07  110.31  3.000
 3ED  N01   C02  C07  110.98  3.000
 3ED  H1    C02  C03  109.60  3.000
 3ED  N01   C02  C03  111.30  3.000
 3ED  C07   C02  C03  101.18  3.000
 3ED  H2    C03  O05  108.79  3.000
 3ED  H2    C03  C04  107.76  3.000
 3ED  O05   C03  C04  110.07  3.000
 3ED  H2    C03  C02  107.68  3.000
 3ED  C04   C03  C02  116.30  3.000
 3ED  O05   C03  C02  106.03  3.000
 3ED  H5    C04  H4   108.01  3.000
 3ED  H5    C04  H3   108.48  3.000
 3ED  H4    C04  H3   107.31  3.000
 3ED  H5    C04  C03  111.97  3.000
 3ED  H4    C04  C03  110.54  3.000
 3ED  H3    C04  C03  110.38  3.000
 3ED  H7    C06  H6   107.30  3.000
 3ED  H7    C06  O05  109.13  3.000
 3ED  H6    C06  O05  110.52  3.000
 3ED  H7    C06  C07  113.08  3.000
 3ED  H6    C06  C07  110.40  3.000
 3ED  O05   C06  C07  106.44  3.000
 3ED  C28   C07  C08  109.19  3.000
 3ED  C28   C07  C06  112.75  3.000
 3ED  C08   C07  C06  111.10  3.000
 3ED  C28   C07  C02  113.77  3.000
 3ED  C06   C07  C02   99.98  3.000
 3ED  C08   C07  C02  109.81  3.000
 3ED  H9    C08  H8   106.64  3.000
 3ED  H9    C08  C09  108.25  3.000
 3ED  H8    C08  C09  108.45  3.000
 3ED  H9    C08  C07  111.14  3.000
 3ED  H8    C08  C07  109.08  3.000
 3ED  C09   C08  C07  113.05  3.000
 3ED  H11   C09  H10  107.23  3.000
 3ED  H11   C09  N10  109.89  3.000
 3ED  H10   C09  N10  108.00  3.000
 3ED  H11   C09  C08  110.45  3.000
 3ED  H10   C09  C08  110.84  3.000
 3ED  N10   C09  C08  110.35  3.000
 3ED  N12   C11  N10  114.97  3.000
 3ED  N10   C11  C24  124.22  3.000
 3ED  N12   C11  C24  120.79  3.000
 3ED  N15   C13  N12  122.79  3.000
 3ED  N15   C13  C14  118.28  3.000
 3ED  N12   C13  C14  118.93  3.000
 3ED  H14   C14  H13  107.36  3.000
 3ED  H14   C14  H12  108.81  3.000
 3ED  H13   C14  H12  108.59  3.000
 3ED  H14   C14  C13  111.49  3.000
 3ED  H13   C14  C13  111.52  3.000
 3ED  H12   C14  C13  108.99  3.000
 3ED  N15   C16  C23  120.21  3.000
 3ED  N15   C16  C17  119.64  3.000
 3ED  C23   C16  C17  120.15  3.000
 3ED  CL18  C17  C19  120.96  3.000
 3ED  CL18  C17  C16  119.44  3.000
 3ED  C19   C17  C16  119.60  3.000
 3ED  CL20  C19  C21  119.53  3.000
 3ED  CL20  C19  C17  120.30  3.000
 3ED  C21   C19  C17  120.17  3.000
 3ED  H15   C21  C22  120.51  3.000
 3ED  H15   C21  C19  119.63  3.000
 3ED  C22   C21  C19  119.85  3.000
 3ED  H16   C22  C23  120.10  3.000
 3ED  H16   C22  C21  119.63  3.000
 3ED  C23   C22  C21  120.27  3.000
 3ED  H17   C23  C22  120.81  3.000
 3ED  H17   C23  C16  119.23  3.000
 3ED  C22   C23  C16  119.96  3.000
 3ED  H18   C24  C25  116.36  3.000
 3ED  H18   C24  C11  122.91  3.000
 3ED  C25   C24  C11  120.72  3.000
 3ED  O26   C25  N15  118.62  3.000
 3ED  O26   C25  C24  127.15  3.000
 3ED  N15   C25  C24  114.22  3.000
 3ED  H20   C27  H19  106.02  3.000
 3ED  H20   C27  N10  110.90  3.000
 3ED  H19   C27  N10  107.63  3.000
 3ED  H20   C27  C28  111.15  3.000
 3ED  H19   C27  C28  110.16  3.000
 3ED  N10   C27  C28  110.80  3.000
 3ED  H22   C28  H21  107.20  3.000
 3ED  H22   C28  C27  108.79  3.000
 3ED  H21   C28  C27  108.80  3.000
 3ED  H22   C28  C07  110.43  3.000
 3ED  H21   C28  C07  109.89  3.000
 3ED  C27   C28  C07  111.61  3.000
 3ED  H24   N01  H23  104.93  3.000
 3ED  H24   N01  C02  109.44  3.000
 3ED  H23   N01  C02  109.44  3.000
 3ED  C27   N10  C11  122.38  3.000
 3ED  C27   N10  C09  111.70  3.000
 3ED  C11   N10  C09  122.15  3.000
 3ED  C13   N12  C11  119.71  3.000
 3ED  C25   N15  C16  117.03  3.000
 3ED  C25   N15  C13  121.71  3.000
 3ED  C16   N15  C13  121.20  3.000
 3ED  C06   O05  C03  110.24  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
 3ED  CONST_01  C21   C22  C23  C16     0.00   0.0  0
 3ED  CONST_02  C21   C19  C17  C16     0.00   0.0  0
 3ED  CONST_03  C22   C23  C16  C17     0.00   0.0  0
 3ED  CONST_04  C22   C21  C19  C17     0.00   0.0  0
 3ED  CONST_05  C23   C22  C21  C19     0.00   0.0  0
 3ED  CONST_06  C23   C16  C17  C19     0.00   0.0  0
 3ED  CONST_07  N15   C16  C17  C19   180.00   0.0  0
 3ED  CONST_08  N15   C16  C23  C22   180.00   0.0  0
 3ED  CONST_11  N15   C13  N12  C11     0.00   0.0  0
 3ED  CONST_12  N10   C11  N12  C13   180.00   0.0  0
 3ED  CONST_13  C24   C11  N12  C13     0.00   0.0  0
 3ED  CONST_14  C24   C25  N15  C13     0.00   0.0  0
 3ED  CONST_15  N12   C13  N15  C16   180.00   0.0  0
 3ED  CONST_16  C24   C25  N15  C16   180.00   0.0  0
 3ED  CONST_17  C27   N10  C11  C24     0.00   0.0  0
 3ED  CONST_18  N12   C13  N15  C25     0.00   0.0  0
 3ED  CONST_19  N12   C11  N10  C27   180.00   0.0  0
 3ED  CONST_20  CL20  C19  C17  C16   180.00   0.0  0
 3ED  CONST_21  CL18  C17  C19  C21   180.00   0.0  0
 3ED  CONST_22  CL20  C19  C21  C22   180.00   0.0  0
 3ED  CONST_23  CL18  C17  C16  C23   180.00   0.0  0
 3ED  CONST_24  CL18  C17  C16  N15     0.00   0.0  0
 3ED  CONST_25  C14   C13  N12  C11   180.00   0.0  0
 3ED  CONST_26  O26   C25  N15  C13   180.00   0.0  0
 3ED  CONST_27  C16   N15  C13  C14     0.00   0.0  0
 3ED  CONST_28  C25   N15  C13  C14   180.00   0.0  0
 3ED  CONST_29  O26   C25  N15  C16     0.00   0.0  0
 3ED  CONST_30  H16   C22  C23  C16   180.00   0.0  0
 3ED  CONST_31  H17   C23  C16  C17   180.00   0.0  0
 3ED  CONST_32  H15   C21  C19  C17   180.00   0.0  0
 3ED  CONST_33  H16   C22  C21  C19   180.00   0.0  0
 3ED  CONST_34  H17   C23  C22  C21   180.00   0.0  0
 3ED  CONST_35  H15   C21  C22  C23   180.00   0.0  0
 3ED  CONST_36  H17   C23  C16  N15     0.00   0.0  0
 3ED  Var_01    C09   C08  C07  C02   175.29  30.0  1
 3ED  Var_02    O05   C06  C07  C02    34.59  30.0  3
 3ED  Var_03    C27   C28  C07  C02  -173.76  30.0  1
 3ED  Var_04    C07   C06  O05  C03   -16.15  30.0  1
 3ED  Var_05    C09   C08  C07  C06   -75.05  30.0  1
 3ED  Var_06    C27   C28  C07  C06    73.29  30.0  1
 3ED  Var_07    N10   C09  C08  C07   -54.32  30.0  1
 3ED  Var_08    N10   C27  C28  C07    57.22  30.0  1
 3ED  Var_09    C11   N10  C09  C08   -99.04  30.0  1
 3ED  Var_10    C27   N10  C09  C08    59.56  30.0  1
 3ED  Var_11    O05   C06  C07  C08   -81.30  30.0  3
 3ED  Var_12    C27   C28  C07  C08   -50.71  30.0  1
 3ED  Var_13    C28   C07  C08  C09    49.92  30.0  1
 3ED  Var_14    C28   C27  N10  C09   -61.50  30.0  1
 3ED  Var_15    C28   C27  N10  C11    97.04  30.0  1
 3ED  Var_16    C23   C16  N15  C13   -90.65  30.0  2
 3ED  Var_17    C17   C16  N15  C13    90.06  30.0  2
 3ED  Var_18    C25   N15  C16  C17   -87.15  30.0  2
 3ED  Var_19    C25   N15  C16  C23    92.15  30.0  2
 3ED  Var_20    O05   C06  C07  C28   155.76  30.0  3
 3ED  Var_21    H8    C08  C07  C02    54.56  30.0  1
 3ED  Var_22    H9    C08  C07  C02   -62.74  30.0  1
 3ED  Var_23    H6    C06  C07  C02   -85.38  30.0  3
 3ED  Var_24    H7    C06  C07  C02   154.40  30.0  3
 3ED  Var_25    H21   C28  C07  C02   -52.96  30.0  1
 3ED  Var_26    H22   C28  C07  C02    65.09  30.0  1
 3ED  Var_27    H6    C06  O05  C03   103.75  30.0  1
 3ED  Var_28    H7    C06  O05  C03  -138.49  30.0  1
 3ED  Var_29    H8    C08  C07  C06   164.22  30.0  1
 3ED  Var_30    H9    C08  C07  C06    46.92  30.0  1
 3ED  Var_31    H21   C28  C07  C06  -165.91  30.0  1
 3ED  Var_32    H22   C28  C07  C06   -47.86  30.0  1
 3ED  Var_33    H10   C09  C08  C07    65.27  30.0  1
 3ED  Var_34    H11   C09  C08  C07  -176.02  30.0  1
 3ED  Var_35    H19   C27  C28  C07   -61.77  30.0  1
 3ED  Var_36    H20   C27  C28  C07  -178.98  30.0  1
 3ED  Var_37    H6    C06  C07  C08   158.73  30.0  3
 3ED  Var_38    H7    C06  C07  C08    38.51  30.0  3
 3ED  Var_39    H21   C28  C07  C08    70.08  30.0  1
 3ED  Var_40    H22   C28  C07  C08  -171.86  30.0  1
 3ED  Var_41    H19   C27  N10  C09    59.00  30.0  1
 3ED  Var_42    H20   C27  N10  C09   174.56  30.0  1
 3ED  Var_43    H10   C09  N10  C11   139.66  30.0  1
 3ED  Var_44    H11   C09  N10  C11    22.99  30.0  1
 3ED  Var_45    H19   C27  N10  C11  -142.45  30.0  1
 3ED  Var_46    H20   C27  N10  C11   -26.89  30.0  1
 3ED  Var_47    H10   C09  N10  C27   -61.74  30.0  1
 3ED  Var_48    H11   C09  N10  C27  -178.41  30.0  1
 3ED  Var_49    H8    C08  C07  C28   -70.81  30.0  1
 3ED  Var_50    H9    C08  C07  C28   171.89  30.0  1
 3ED  Var_51    H6    C06  C07  C28    35.79  30.0  3
 3ED  Var_52    H7    C06  C07  C28   -84.43  30.0  3
 3ED  Var_53    H8    C08  C09  N10    66.78  30.0  1
 3ED  Var_54    H9    C08  C09  N10  -177.90  30.0  1
 3ED  Var_55    H18   C24  C11  N10    -4.03  30.0  1
 3ED  Var_56    H21   C28  C27  N10   -64.21  30.0  1
 3ED  Var_57    H22   C28  C27  N10   179.31  30.0  1
 3ED  Var_58    H18   C24  C11  N12   177.27  30.0  1
 3ED  Var_59    H18   C24  C25  N15  -179.25  30.0  1
 3ED  Var_60    H12   C14  C13  N12    -0.22  30.0  3
 3ED  Var_61    H13   C14  C13  N12   119.65  30.0  3
 3ED  Var_62    H14   C14  C13  N12  -120.35  30.0  3
 3ED  Var_63    H12   C14  C13  N15   179.53  30.0  3
 3ED  Var_64    H13   C14  C13  N15   -60.60  30.0  3
 3ED  Var_65    H14   C14  C13  N15    59.40  30.0  3
 3ED  Var_66    H18   C24  C25  O26     0.36  30.0  1

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
 3ED  chir_01  C02  C03  C07  N01  positiv
 3ED  chir_02  C03  O05  C04  C02  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
 3ED  plan-1  C09   0.020
 3ED  plan-1  C11   0.020
 3ED  plan-1  C13   0.020
 3ED  plan-1  C14   0.020
 3ED  plan-1  C16   0.020
 3ED  plan-1  C24   0.020
 3ED  plan-1  C25   0.020
 3ED  plan-1  C27   0.020
 3ED  plan-1  N10   0.020
 3ED  plan-1  N12   0.020
 3ED  plan-1  N15   0.020
 3ED  plan-1  O26   0.020
 3ED  plan-2  C16   0.020
 3ED  plan-2  C17   0.020
 3ED  plan-2  C19   0.020
 3ED  plan-2  C21   0.020
 3ED  plan-2  C22   0.020
 3ED  plan-2  C23   0.020
 3ED  plan-2  N15   0.020
 3ED  plan-2  CL18  0.020
 3ED  plan-2  CL20  0.020
 3ED  plan-2  H15   0.020
 3ED  plan-2  H16   0.020
 3ED  plan-2  H17   0.020

