# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Jul 31 09:49:52 2022
#   Inital geometry file: a 135 line input string
#   Ligand name: 3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN1NC(=C(C1=O)C(=O)c2ccc3N(C)C(=O)N(C(=O)c3c2C)c4cccc(Cl)c4)C
#
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
 GEU  GEU  "3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione"
  ligand  50  31  .  2022-08-10  2022-08-10
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_GEU
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
 GEU  C10  C   CR6   0   0.576  -1.7208  -2.8475  84.8468
 GEU  C13  C   CR6   0   0.319  -3.9421  -2.9685  85.7583
 GEU  C15  C   CH3   0  -0.563  -0.8668   0.1085  87.8026
 GEU  C17  C   CR5   0  -0.432   3.7846  -3.7668  83.6911
 GEU  C22  C   CR5   0   0.494   3.5621  -4.6681  84.7347
 GEU  C26  C   CR16  0  -0.211  -4.1713  -4.1611  86.4242
 GEU  C28  C   CR16  0  -0.204  -6.4704  -4.0989  85.6820
 GEU  C01  C   CR6   0  -0.126   1.9310  -2.1503  84.2693
 GEU  C02  C   CR16  0  -0.232   2.1424  -1.1710  85.2347
 GEU  C03  C   CR16  0  -0.361   1.1351  -0.7602  86.0747
 GEU  C04  C   CR66  0   0.446  -0.1366  -1.3225  85.9492
 GEU  C05  C   CR66  0  -0.143  -0.3732  -2.2847  84.9527
 GEU  C06  C   CR6   0   0.083   0.6674  -2.7029  84.0916
 GEU  C08  C   CR6   0   0.722  -2.4019  -1.4531  86.7814
 GEU  C11  C   CH3   0  -0.731   0.4631  -3.7171  83.0004
 GEU  C16  C   C     0   0.295   3.1153  -2.5187  83.4207
 GEU  C19  C   CR5   0   0.583   4.8858  -4.2936  82.8979
 GEU  C25  C   CH3   0  -0.765   2.5868  -4.7035  85.8549
 GEU  C27  C   CR6   0  -0.048  -5.4395  -4.7161  86.3739
 GEU  C29  C   CR16  0  -0.270  -6.2161  -2.9056  85.0215
 GEU  C30  C   CR16  0  -0.247  -4.9519  -2.3359  85.0532
 GEU  N07  N   NR6   0  -0.619  -1.1453  -0.9180  86.8082
 GEU  N09  N   NR6   0  -0.709  -2.6314  -2.3986  85.7966
 GEU  N20  N   NR5   0  -0.319   5.2113  -5.4838  83.5093
 GEU  N21  N   NR15  0  -0.465   4.4397  -5.6492  84.6125
 GEU  O12  O   O     0  -0.421  -2.0880  -3.6595  84.0262
 GEU  O14  O   O     0  -0.463  -3.2812  -1.1384  87.5534
 GEU  O18  O   O     0  -0.394   3.4935  -1.7273  82.5730
 GEU  O23  O   O     0  -0.496   5.4566  -3.8677  81.9019
 GEU  CL1  CL  CL    0  -0.119  -5.7363  -6.2113  87.1944
 GEU  H1   H   HCH3  0   0.290  -1.7708   0.3245  88.3572
 GEU  H2   H   HCH3  0   0.263  -0.1030  -0.2284  88.5021
 GEU  H3   H   HCH3  0   0.263  -0.5316   1.0240  87.3180
 GEU  H4   H   HCH3  0   0.263   6.0403  -7.3732  83.1868
 GEU  H5   H   HCH3  0   0.270   6.7764  -6.0275  82.3102
 GEU  H6   H   HCH3  0   0.259   7.1013  -6.2272  84.0399
 GEU  H7   H   HCR6  0   0.287  -3.3719  -4.6450  86.9696
 GEU  H8   H   HCR6  0   0.284  -7.4565  -4.5420  85.6548
 GEU  H9   H   HCR6  0   0.275   3.1259  -0.7321  85.3487
 GEU  H10  H   HCR6  0   0.298   1.3516  -0.0105  86.8195
 GEU  H11  H   HCH3  0   0.256   0.1460  -4.6810  83.3958
 GEU  H12  H   HCH3  0   0.263  -0.2979  -3.3954  82.2922
 GEU  H13  H   HCH3  0   0.248   1.3804  -3.8800  82.4410
 GEU  H14  H   HCH3  0   0.280   2.8336  -5.5048  86.5502
 GEU  H15  H   HCH3  0   0.278   2.5794  -3.7653  86.4054
 GEU  H16  H   HCH3  0   0.280   1.5775  -4.8823  85.4867
 GEU  H17  H   HCR6  0   0.275  -7.0136  -2.4187  84.4767
 GEU  H18  H   HCR6  0   0.271  -4.7519  -1.4074  84.5350
 GEU  H19  H   HNR5  0   0.441   4.5005  -6.4934  85.1633
 GEU  C24  C   CH3   0  -0.522   6.3463  -6.3303  83.2599

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
 GEU  O23  C19  double    1.224  0.020  1.224
 GEU  O18  C16  double    1.220  0.020  1.220
 GEU  C11  C06  single    1.504  0.020  1.504
 GEU  C19  N20  single    1.377  0.020  1.377
 GEU  C19  C17  single    1.456  0.020  1.456
 GEU  C24  N20  single    1.438  0.020  1.438
 GEU  C16  C17  single    1.442  0.020  1.442
 GEU  C16  C01  single    1.503  0.020  1.503
 GEU  N20  N21  single    1.356  0.020  1.356
 GEU  C17  C22  double    1.397  0.020  1.397
 GEU  O12  C10  double    1.211  0.020  1.211
 GEU  C06  C01  aromatic  1.391  0.020  1.391
 GEU  C06  C05  aromatic  1.414  0.020  1.414
 GEU  C01  C02  aromatic  1.391  0.020  1.391
 GEU  N21  C22  single    1.322  0.020  1.322
 GEU  C10  C05  single    1.464  0.020  1.464
 GEU  C10  N09  single    1.390  0.020  1.390
 GEU  C22  C25  single    1.486  0.020  1.486
 GEU  C29  C30  aromatic  1.387  0.020  1.387
 GEU  C29  C28  aromatic  1.387  0.020  1.387
 GEU  C05  C04  aromatic  1.405  0.020  1.405
 GEU  C30  C13  aromatic  1.385  0.020  1.385
 GEU  C02  C03  aromatic  1.374  0.020  1.374
 GEU  C28  C27  aromatic  1.387  0.020  1.387
 GEU  C13  N09  single    1.430  0.020  1.430
 GEU  C13  C26  aromatic  1.385  0.020  1.385
 GEU  N09  C08  single    1.384  0.020  1.384
 GEU  C04  C03  aromatic  1.396  0.020  1.396
 GEU  C04  N07  single    1.385  0.020  1.385
 GEU  C27  C26  aromatic  1.385  0.020  1.385
 GEU  C27  CL1  single    1.731  0.020  1.731
 GEU  C08  N07  single    1.366  0.020  1.366
 GEU  C08  O14  double    1.212  0.020  1.212
 GEU  N07  C15  single    1.456  0.020  1.456
 GEU  C15  H1   single    0.970  0.020  1.090
 GEU  C15  H2   single    0.970  0.020  1.090
 GEU  C15  H3   single    0.970  0.020  1.090
 GEU  C24  H4   single    0.970  0.020  1.090
 GEU  C24  H5   single    0.970  0.020  1.090
 GEU  C24  H6   single    0.970  0.020  1.090
 GEU  C26  H7   single    0.930  0.020  1.080
 GEU  C28  H8   single    0.930  0.020  1.080
 GEU  C02  H9   single    0.930  0.020  1.080
 GEU  C03  H10  single    0.930  0.020  1.080
 GEU  C11  H11  single    0.970  0.020  1.090
 GEU  C11  H12  single    0.970  0.020  1.090
 GEU  C11  H13  single    0.970  0.020  1.090
 GEU  C25  H14  single    0.970  0.020  1.090
 GEU  C25  H15  single    0.970  0.020  1.090
 GEU  C25  H16  single    0.970  0.020  1.090
 GEU  C29  H17  single    0.930  0.020  1.080
 GEU  C30  H18  single    0.930  0.020  1.080
 GEU  N21  H19  single    0.860  0.020  1.020

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
 GEU  O12  C10  N09  118.73  3.000
 GEU  N09  C10  C05  115.42  3.000
 GEU  O12  C10  C05  125.84  3.000
 GEU  N09  C13  C30  120.01  3.000
 GEU  N09  C13  C26  118.81  3.000
 GEU  C30  C13  C26  121.18  3.000
 GEU  H3   C15  H2   109.28  3.000
 GEU  H3   C15  H1   108.50  3.000
 GEU  H2   C15  H1   108.57  3.000
 GEU  H3   C15  N07  110.35  3.000
 GEU  H2   C15  N07  110.78  3.000
 GEU  H1   C15  N07  109.32  3.000
 GEU  C19  C17  C16  124.20  3.000
 GEU  C16  C17  C22  128.67  3.000
 GEU  C19  C17  C22  107.10  3.000
 GEU  N21  C22  C25  119.20  3.000
 GEU  C25  C22  C17  133.10  3.000
 GEU  N21  C22  C17  107.70  3.000
 GEU  H7   C26  C27  121.03  3.000
 GEU  H7   C26  C13  120.35  3.000
 GEU  C27  C26  C13  118.62  3.000
 GEU  H8   C28  C29  120.51  3.000
 GEU  H8   C28  C27  120.54  3.000
 GEU  C29  C28  C27  118.95  3.000
 GEU  C16  C01  C06  123.13  3.000
 GEU  C06  C01  C02  120.43  3.000
 GEU  C16  C01  C02  116.40  3.000
 GEU  H9   C02  C03  118.69  3.000
 GEU  H9   C02  C01  119.75  3.000
 GEU  C03  C02  C01  121.54  3.000
 GEU  H10  C03  C04  121.66  3.000
 GEU  H10  C03  C02  118.86  3.000
 GEU  C04  C03  C02  119.49  3.000
 GEU  N07  C04  C05  121.13  3.000
 GEU  N07  C04  C03  119.33  3.000
 GEU  C05  C04  C03  119.53  3.000
 GEU  C06  C05  C04  120.69  3.000
 GEU  C04  C05  C10  118.00  3.000
 GEU  C06  C05  C10  121.31  3.000
 GEU  C11  C06  C05  122.78  3.000
 GEU  C05  C06  C01  118.25  3.000
 GEU  C11  C06  C01  118.97  3.000
 GEU  O14  C08  N09  120.69  3.000
 GEU  O14  C08  N07  123.59  3.000
 GEU  N09  C08  N07  115.72  3.000
 GEU  H13  C11  H12  107.43  3.000
 GEU  H13  C11  H11  107.45  3.000
 GEU  H12  C11  H11  107.12  3.000
 GEU  H13  C11  C06  111.10  3.000
 GEU  H12  C11  C06  111.59  3.000
 GEU  H11  C11  C06  111.90  3.000
 GEU  O18  C16  C01  118.53  3.000
 GEU  C01  C16  C17  118.17  3.000
 GEU  O18  C16  C17  123.24  3.000
 GEU  O23  C19  N20  123.48  3.000
 GEU  N20  C19  C17  104.45  3.000
 GEU  O23  C19  C17  132.07  3.000
 GEU  H16  C25  H15  107.84  3.000
 GEU  H16  C25  H14  107.75  3.000
 GEU  H15  C25  H14  108.23  3.000
 GEU  H16  C25  C22  110.94  3.000
 GEU  H15  C25  C22  111.44  3.000
 GEU  H14  C25  C22  110.49  3.000
 GEU  CL1  C27  C28  119.57  3.000
 GEU  CL1  C27  C26  119.06  3.000
 GEU  C28  C27  C26  121.37  3.000
 GEU  H17  C29  C30  119.91  3.000
 GEU  H17  C29  C28  119.46  3.000
 GEU  C30  C29  C28  120.63  3.000
 GEU  H18  C30  C29  120.67  3.000
 GEU  H18  C30  C13  120.08  3.000
 GEU  C29  C30  C13  119.25  3.000
 GEU  C08  N07  C04  122.91  3.000
 GEU  C08  N07  C15  117.75  3.000
 GEU  C04  N07  C15  119.34  3.000
 GEU  C08  N09  C13  116.31  3.000
 GEU  C08  N09  C10  126.72  3.000
 GEU  C13  N09  C10  116.96  3.000
 GEU  N21  N20  C19  109.39  3.000
 GEU  N21  N20  C24  121.23  3.000
 GEU  C19  N20  C24  128.20  3.000
 GEU  H19  N21  N20  120.75  3.000
 GEU  H19  N21  C22  127.59  3.000
 GEU  N20  N21  C22  111.25  3.000
 GEU  H6   C24  H5   108.97  3.000
 GEU  H6   C24  H4   109.46  3.000
 GEU  H5   C24  H4   108.64  3.000
 GEU  H6   C24  N20  111.52  3.000
 GEU  H5   C24  N20  107.47  3.000
 GEU  H4   C24  N20  110.71  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
 GEU  CONST_01  C28  C29  C30  C13     0.00   0.0  0
 GEU  CONST_02  C05  C10  N09  C13   180.00   0.0  0
 GEU  CONST_03  C28  C27  C26  C13     0.00   0.0  0
 GEU  CONST_04  C29  C30  C13  C26     0.00   0.0  0
 GEU  CONST_05  C29  C28  C27  C26     0.00   0.0  0
 GEU  CONST_06  C04  C05  C06  C01     0.00   0.0  0
 GEU  CONST_07  C04  C03  C02  C01     0.00   0.0  0
 GEU  CONST_08  C05  C06  C01  C02     0.00   0.0  0
 GEU  CONST_09  C05  C04  C03  C02     0.00   0.0  0
 GEU  CONST_10  C06  C01  C02  C03     0.00   0.0  0
 GEU  CONST_11  C06  C05  C04  C03     0.00   0.0  0
 GEU  CONST_12  C30  C29  C28  C27     0.00   0.0  0
 GEU  CONST_13  C30  C13  C26  C27     0.00   0.0  0
 GEU  CONST_14  N09  C13  C26  C27   180.00   0.0  0
 GEU  CONST_15  N09  C13  C30  C29   180.00   0.0  0
 GEU  CONST_16  N07  C08  N09  C10     0.00   0.0  0
 GEU  CONST_17  N07  C08  N09  C13   180.00   0.0  0
 GEU  CONST_18  N21  N20  C19  C17     0.00   0.0  0
 GEU  CONST_19  N09  C08  N07  C04     0.00   0.0  0
 GEU  CONST_20  C08  N09  C10  C05     0.00   0.0  0
 GEU  CONST_21  C11  C06  C05  C10     0.00   0.0  0
 GEU  CONST_22  O12  C10  N09  C13     0.00   0.0  0
 GEU  CONST_23  CL1  C27  C26  C13   180.00   0.0  0
 GEU  CONST_24  C11  C06  C01  C02   180.00   0.0  0
 GEU  CONST_25  C16  C01  C02  C03   180.00   0.0  0
 GEU  CONST_26  C11  C06  C05  C04   180.00   0.0  0
 GEU  CONST_27  C16  C01  C06  C05   180.00   0.0  0
 GEU  CONST_28  O12  C10  N09  C08   180.00   0.0  0
 GEU  CONST_29  CL1  C27  C28  C29   180.00   0.0  0
 GEU  CONST_30  O14  C08  N09  C10   180.00   0.0  0
 GEU  CONST_31  O14  C08  N09  C13     0.00   0.0  0
 GEU  CONST_32  N09  C08  N07  C15   180.00   0.0  0
 GEU  CONST_33  C24  N20  C19  C17   180.00   0.0  0
 GEU  CONST_34  O14  C08  N07  C04   180.00   0.0  0
 GEU  CONST_35  O23  C19  N20  N21   180.00   0.0  0
 GEU  CONST_36  H17  C29  C30  C13   180.00   0.0  0
 GEU  CONST_37  H18  C30  C13  C26   180.00   0.0  0
 GEU  CONST_38  H8   C28  C27  C26   180.00   0.0  0
 GEU  CONST_39  H18  C30  C29  C28   180.00   0.0  0
 GEU  CONST_40  H7   C26  C27  C28   180.00   0.0  0
 GEU  CONST_41  H10  C03  C02  C01   180.00   0.0  0
 GEU  CONST_42  H9   C02  C03  C04   180.00   0.0  0
 GEU  CONST_43  H10  C03  C04  C05   180.00   0.0  0
 GEU  CONST_44  H9   C02  C01  C06   180.00   0.0  0
 GEU  CONST_45  H17  C29  C28  C27   180.00   0.0  0
 GEU  CONST_46  H8   C28  C29  C30   180.00   0.0  0
 GEU  CONST_47  H7   C26  C13  C30   180.00   0.0  0
 GEU  CONST_48  H10  C03  C04  N07     0.00   0.0  0
 GEU  CONST_49  H18  C30  C13  N09     0.00   0.0  0
 GEU  CONST_50  H7   C26  C13  N09     0.00   0.0  0
 GEU  CONST_51  O14  C08  N07  C15     0.00   0.0  0
 GEU  CONST_52  O23  C19  N20  C24     0.00   0.0  0
 GEU  Var_01    C30  C13  N09  C10   -93.75  30.0  2
 GEU  Var_02    C26  C13  N09  C10    85.62  30.0  2
 GEU  Var_03    N20  N21  C22  C17    -2.35  30.0  1
 GEU  Var_04    N20  C19  C17  C22     1.49  30.0  1
 GEU  Var_05    C19  N20  N21  C22     3.42  30.0  1
 GEU  Var_06    C08  N09  C13  C26   -94.37  30.0  2
 GEU  Var_07    C30  C13  N09  C08    86.26  30.0  2
 GEU  Var_08    N21  C22  C17  C19     0.47  30.0  1
 GEU  Var_09    C06  C01  C16  C17   -77.78  30.0  2
 GEU  Var_10    C02  C01  C16  C17   104.58  30.0  2
 GEU  Var_11    O23  C19  C17  C22  -179.00  30.0  1
 GEU  Var_12    C01  C16  C17  C22    -6.25  30.0  2
 GEU  Var_13    C24  N20  N21  C22   171.98  30.0  1
 GEU  Var_14    C19  C17  C16  C01   175.79  30.0  2
 GEU  Var_15    N20  C19  C17  C16   179.83  30.0  1
 GEU  Var_16    N21  C22  C17  C16  -177.77  30.0  1
 GEU  Var_17    C25  C22  C17  C19  -179.32  30.0  1
 GEU  Var_18    N20  N21  C22  C25   177.47  30.0  1
 GEU  Var_19    H19  N21  C22  C17  -174.89  30.0  1
 GEU  Var_20    H19  N21  N20  C19   176.54  30.0  1
 GEU  Var_21    O18  C16  C17  C22   170.89  30.0  2
 GEU  Var_22    O18  C16  C01  C02   -72.70  30.0  2
 GEU  Var_23    O18  C16  C01  C06   104.94  30.0  2
 GEU  Var_24    O23  C19  C17  C16    -0.66  30.0  1
 GEU  Var_25    C25  C22  C17  C16     2.44  30.0  1
 GEU  Var_26    O18  C16  C17  C19    -7.07  30.0  2
 GEU  Var_27    H14  C25  C22  C17  -171.45  30.0  3
 GEU  Var_28    H15  C25  C22  C17   -51.08  30.0  3
 GEU  Var_29    H16  C25  C22  C17    69.11  30.0  3
 GEU  Var_30    H19  N21  N20  C24   -14.90  30.0  1
 GEU  Var_31    H11  C11  C06  C01   118.66  30.0  2
 GEU  Var_32    H12  C11  C06  C01  -121.32  30.0  2
 GEU  Var_33    H13  C11  C06  C01    -1.45  30.0  2
 GEU  Var_34    H1   C15  N07  C04   177.92  30.0  3
 GEU  Var_35    H2   C15  N07  C04   -62.48  30.0  3
 GEU  Var_36    H3   C15  N07  C04    58.67  30.0  3
 GEU  Var_37    H11  C11  C06  C05   -61.22  30.0  2
 GEU  Var_38    H12  C11  C06  C05    58.80  30.0  2
 GEU  Var_39    H13  C11  C06  C05   178.67  30.0  2
 GEU  Var_40    H1   C15  N07  C08    -2.93  30.0  3
 GEU  Var_41    H2   C15  N07  C08   116.67  30.0  3
 GEU  Var_42    H3   C15  N07  C08  -122.18  30.0  3
 GEU  Var_43    H4   C24  N20  C19  -134.21  30.0  3
 GEU  Var_44    H5   C24  N20  C19   -15.71  30.0  3
 GEU  Var_45    H6   C24  N20  C19   103.66  30.0  3
 GEU  Var_46    H19  N21  C22  C25     4.93  30.0  1
 GEU  Var_47    H4   C24  N20  N21    59.56  30.0  3
 GEU  Var_48    H5   C24  N20  N21   178.06  30.0  3
 GEU  Var_49    H6   C24  N20  N21   -62.57  30.0  3
 GEU  Var_50    H14  C25  C22  N21     8.78  30.0  3
 GEU  Var_51    H15  C25  C22  N21   129.15  30.0  3
 GEU  Var_52    H16  C25  C22  N21  -110.66  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
 GEU  plan-1  C13  0.020
 GEU  plan-1  C26  0.020
 GEU  plan-1  C28  0.020
 GEU  plan-1  C27  0.020
 GEU  plan-1  C29  0.020
 GEU  plan-1  C30  0.020
 GEU  plan-1  N09  0.020
 GEU  plan-1  CL1  0.020
 GEU  plan-1  H7   0.020
 GEU  plan-1  H8   0.020
 GEU  plan-1  H17  0.020
 GEU  plan-1  H18  0.020
 GEU  plan-2  C17  0.020
 GEU  plan-2  C01  0.020
 GEU  plan-2  C16  0.020
 GEU  plan-2  O18  0.020
 GEU  plan-3  C10  0.020
 GEU  plan-3  C13  0.020
 GEU  plan-3  C15  0.020
 GEU  plan-3  C01  0.020
 GEU  plan-3  C02  0.020
 GEU  plan-3  C03  0.020
 GEU  plan-3  C04  0.020
 GEU  plan-3  C05  0.020
 GEU  plan-3  C06  0.020
 GEU  plan-3  C08  0.020
 GEU  plan-3  C11  0.020
 GEU  plan-3  C16  0.020
 GEU  plan-3  N07  0.020
 GEU  plan-3  N09  0.020
 GEU  plan-3  O12  0.020
 GEU  plan-3  O14  0.020
 GEU  plan-3  H9   0.020
 GEU  plan-3  H10  0.020
 GEU  plan-4  C17  0.020
 GEU  plan-4  C19  0.020
 GEU  plan-4  N20  0.020
 GEU  plan-4  N21  0.020
 GEU  plan-4  O23  0.020
 GEU  plan-4  C24  0.020
 GEU  plan-5  C22  0.020
 GEU  plan-5  N20  0.020
 GEU  plan-5  N21  0.020
 GEU  plan-5  H19  0.020

