# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Jul 31 10:16:25 2022
#   Inital geometry file: a 138 line input string
#   Ligand name: 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(methanesulfonyl)propanamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCc1nc(N)nc(N)c1OCCCOc2ccccc2CCC(=O)N[S](C)(=O)=O
#
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
 GUU  GUU  "3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(methanesulfonyl)propanamide"
  ligand  57  30  .  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_GUU
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
 GUU  O24   O  OS    0  -0.634  27.5406   0.4829   9.3429
 GUU  C10   C  CR6   0   0.365  32.2521  -2.6025  13.8179
 GUU  C01   C  CR6   0   0.228  34.6450   1.5673  15.0983
 GUU  C02   C  CH2   0  -0.505  34.0483   0.3001  15.6347
 GUU  C03   C  CH3   0  -0.669  32.5397   0.4212  15.8327
 GUU  C04   C  CR6   0   0.127  35.1326   1.6672  13.8124
 GUU  O05   O  O2    0  -0.495  35.1511   0.6179  12.9386
 GUU  C06   C  CH2   0  -0.182  34.0297   0.5288  12.0592
 GUU  C07   C  CH2   0  -0.495  34.1181  -0.7883  11.3142
 GUU  C08   C  CH2   0  -0.190  33.9531  -2.0044  12.2049
 GUU  O09   O  O2    0  -0.479  32.6026  -2.0480  12.6410
 GUU  C11   C  CR16  0  -0.372  33.1451  -3.1963  14.7061
 GUU  C12   C  CR16  0  -0.255  32.6913  -3.6845  15.9261
 GUU  C13   C  CR16  0  -0.270  31.3512  -3.6039  16.2623
 GUU  C14   C  CR6   0   0.021  30.8820  -2.5537  14.1241
 GUU  C15   C  CR16  0  -0.296  30.4606  -3.0497  15.3497
 GUU  C16   C  CH2   0  -0.501  29.8822  -1.9990  13.1467
 GUU  C17   C  CH2   0  -0.581  29.8561  -0.4669  13.1043
 GUU  C18   C  C     0   0.601  28.7866   0.0216  12.1576
 GUU  O19   O  O     0  -0.438  27.6376  -0.3574  12.2047
 GUU  N20   N  NC1   0  -0.821  29.2051   0.9454  11.2298
 GUU  S21   S  S     0   1.354  28.2265   1.5710  10.0090
 GUU  O22   O  OS    0  -0.651  29.1091   2.4305   9.2420
 GUU  C23   C  CH3   0  -0.795  27.0485   2.5690  10.8790
 GUU  C25   C  CR6   0   0.431  35.6697   2.9148  13.4234
 GUU  N26   N  N     0  -0.500  35.6844   3.9449  14.2594
 GUU  C27   C  CR6   0   0.508  35.1780   3.7442  15.4771
 GUU  N28   N  N     0  -0.498  34.6678   2.6089  15.9392
 GUU  N29   N  NH2   0  -0.825  35.2359   4.7936  16.3376
 GUU  N30   N  NH2   0  -0.823  36.1613   3.0993  12.1805
 GUU  H021  H  HCH2  0   0.245  34.5233   0.0789  16.5937
 GUU  H022  H  HCH2  0   0.252  34.2647  -0.5391  14.9763
 GUU  H031  H  HCH3  0   0.237  32.1238  -0.5223  16.1863
 GUU  H033  H  HCH3  0   0.228  32.2979   1.1975  16.5583
 GUU  H032  H  HCH3  0   0.229  32.0414   0.6702  14.8953
 GUU  H062  H  HCH2  0   0.233  33.0966   0.5953  12.6291
 GUU  H061  H  HCH2  0   0.232  34.0366   1.3619  11.3485
 GUU  H072  H  HCH2  0   0.248  33.3617  -0.7974  10.5254
 GUU  H071  H  HCH2  0   0.247  35.0857  -0.8572  10.8108
 GUU  H082  H  HCH2  0   0.241  34.1899  -2.9218  11.6573
 GUU  H081  H  HCH2  0   0.230  34.6471  -1.9380  13.0454
 GUU  H111  H  HCR6  0   0.274  34.1963  -3.2874  14.4701
 GUU  H121  H  HCR6  0   0.254  33.4011  -4.1334  16.6090
 GUU  H131  H  HCR6  0   0.247  30.9964  -3.9827  17.2116
 GUU  H151  H  HCR6  0   0.247  29.4045  -3.0072  15.5910
 GUU  H161  H  HCH2  0   0.255  30.0824  -2.3822  12.1433
 GUU  H162  H  HCH2  0   0.259  28.8910  -2.3585  13.4244
 GUU  H172  H  HCH2  0   0.286  29.6161  -0.0748  14.0966
 GUU  H171  H  HCH2  0   0.284  30.8350  -0.0716  12.8361
 GUU  H201  H  HNC1  0   0.444  30.1618   1.2795  11.2318
 GUU  H233  H  HCH3  0   0.311  26.4153   3.0420  10.1290
 GUU  H232  H  HCH3  0   0.300  26.4465   1.9420  11.5306
 GUU  H231  H  HCH3  0   0.300  27.5801   3.3253  11.4513
 GUU  H292  H  HNH2  0   0.384  35.3746   5.7096  15.9468
 GUU  H291  H  HNH2  0   0.384  34.6546   4.7521  17.1572
 GUU  H301  H  HNH2  0   0.391  36.6989   3.9331  12.0114
 GUU  H302  H  HNH2  0   0.399  36.4059   2.2977  11.6243

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
 GUU  C03  C02   single    1.526  0.020  1.526
 GUU  C02  C01   single    1.500  0.020  1.500
 GUU  C04  C01   aromatic  1.379  0.020  1.379
 GUU  C06  O05   single    1.428  0.020  1.428
 GUU  C07  C06   single    1.516  0.020  1.516
 GUU  C08  C07   single    1.516  0.020  1.516
 GUU  O09  C08   single    1.420  0.020  1.420
 GUU  C10  O09   single    1.347  0.020  1.347
 GUU  C12  C11   aromatic  1.390  0.020  1.390
 GUU  C13  C12   aromatic  1.384  0.020  1.384
 GUU  C11  C10   aromatic  1.392  0.020  1.392
 GUU  C14  C10   aromatic  1.405  0.020  1.405
 GUU  C15  C14   aromatic  1.388  0.020  1.388
 GUU  C16  C14   single    1.504  0.020  1.504
 GUU  C17  C16   single    1.533  0.020  1.533
 GUU  C18  C17   single    1.510  0.020  1.510
 GUU  O19  C18   double    1.211  0.020  1.211
 GUU  N20  C18   single    1.375  0.020  1.375
 GUU  S21  N20   single    1.685  0.020  1.685
 GUU  O22  S21   double    1.451  0.020  1.451
 GUU  C23  S21   single    1.772  0.020  1.772
 GUU  O24  S21   double    1.448  0.020  1.448
 GUU  O05  C04   single    1.366  0.020  1.366
 GUU  C25  C04   aromatic  1.413  0.020  1.413
 GUU  C27  N26   aromatic  1.334  0.020  1.334
 GUU  N28  C27   aromatic  1.328  0.020  1.328
 GUU  N29  C27   single    1.358  0.020  1.358
 GUU  N26  C25   aromatic  1.327  0.020  1.327
 GUU  N30  C25   single    1.349  0.020  1.349
 GUU  C01  N28   aromatic  1.339  0.020  1.339
 GUU  C13  C15   aromatic  1.390  0.020  1.390
 GUU  C02  H021  single    0.970  0.020  1.090
 GUU  C02  H022  single    0.970  0.020  1.090
 GUU  C03  H031  single    0.970  0.020  1.090
 GUU  C03  H033  single    0.970  0.020  1.090
 GUU  C03  H032  single    0.970  0.020  1.090
 GUU  C06  H062  single    0.970  0.020  1.090
 GUU  C06  H061  single    0.970  0.020  1.090
 GUU  C07  H072  single    0.970  0.020  1.090
 GUU  C07  H071  single    0.970  0.020  1.090
 GUU  C08  H082  single    0.970  0.020  1.090
 GUU  C08  H081  single    0.970  0.020  1.090
 GUU  C11  H111  single    0.930  0.020  1.080
 GUU  C12  H121  single    0.930  0.020  1.080
 GUU  C13  H131  single    0.930  0.020  1.080
 GUU  C15  H151  single    0.930  0.020  1.080
 GUU  C16  H161  single    0.970  0.020  1.090
 GUU  C16  H162  single    0.970  0.020  1.090
 GUU  C17  H172  single    0.970  0.020  1.090
 GUU  C17  H171  single    0.970  0.020  1.090
 GUU  N20  H201  single    0.860  0.020  1.020
 GUU  C23  H233  single    0.970  0.020  1.090
 GUU  C23  H232  single    0.970  0.020  1.090
 GUU  C23  H231  single    0.970  0.020  1.090
 GUU  N29  H292  single    0.890  0.020  1.040
 GUU  N29  H291  single    0.890  0.020  1.040
 GUU  N30  H301  single    0.890  0.020  1.040
 GUU  N30  H302  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
 GUU  C14   C10  C11   120.09  3.000
 GUU  C14   C10  O09   115.46  3.000
 GUU  C11   C10  O09   124.46  3.000
 GUU  N28   C01  C04   121.55  3.000
 GUU  N28   C01  C02   116.07  3.000
 GUU  C04   C01  C02   122.38  3.000
 GUU  H022  C02  H021  106.76  3.000
 GUU  H022  C02  C03   109.64  3.000
 GUU  H021  C02  C03   109.38  3.000
 GUU  H022  C02  C01   110.85  3.000
 GUU  H021  C02  C01   108.18  3.000
 GUU  C03   C02  C01   111.87  3.000
 GUU  H032  C03  H033  107.96  3.000
 GUU  H032  C03  H031  107.58  3.000
 GUU  H033  C03  H031  108.42  3.000
 GUU  H032  C03  C02   111.00  3.000
 GUU  H033  C03  C02   111.24  3.000
 GUU  H031  C03  C02   110.52  3.000
 GUU  C25   C04  O05   119.81  3.000
 GUU  C25   C04  C01   117.08  3.000
 GUU  O05   C04  C01   123.08  3.000
 GUU  C06   O05  C04   115.55  3.000
 GUU  H061  C06  H062  107.27  3.000
 GUU  H061  C06  C07   109.98  3.000
 GUU  H062  C06  C07   110.98  3.000
 GUU  H061  C06  O05   110.32  3.000
 GUU  H062  C06  O05   110.17  3.000
 GUU  C07   C06  O05   108.13  3.000
 GUU  H071  C07  H072  106.25  3.000
 GUU  H071  C07  C08   108.44  3.000
 GUU  H072  C07  C08   110.00  3.000
 GUU  H071  C07  C06   109.43  3.000
 GUU  H072  C07  C06   108.76  3.000
 GUU  C08   C07  C06   113.69  3.000
 GUU  H081  C08  H082  107.37  3.000
 GUU  H081  C08  O09   111.71  3.000
 GUU  H082  C08  O09   109.50  3.000
 GUU  H081  C08  C07   109.53  3.000
 GUU  H082  C08  C07   110.78  3.000
 GUU  O09   C08  C07   107.97  3.000
 GUU  C08   O09  C10   121.89  3.000
 GUU  H111  C11  C12   118.64  3.000
 GUU  H111  C11  C10   121.35  3.000
 GUU  C12   C11  C10   120.01  3.000
 GUU  H121  C12  C13   120.39  3.000
 GUU  H121  C12  C11   119.03  3.000
 GUU  C13   C12  C11   120.59  3.000
 GUU  H131  C13  C15   120.36  3.000
 GUU  H131  C13  C12   120.68  3.000
 GUU  C15   C13  C12   118.95  3.000
 GUU  C16   C14  C15   120.26  3.000
 GUU  C16   C14  C10   121.30  3.000
 GUU  C15   C14  C10   118.44  3.000
 GUU  H151  C15  C14   118.58  3.000
 GUU  H151  C15  C13   119.57  3.000
 GUU  C14   C15  C13   121.85  3.000
 GUU  H162  C16  H161  106.55  3.000
 GUU  H162  C16  C17   108.73  3.000
 GUU  H161  C16  C17   109.17  3.000
 GUU  H162  C16  C14   108.49  3.000
 GUU  H161  C16  C14   110.22  3.000
 GUU  C17   C16  C14   113.44  3.000
 GUU  H171  C17  H172  106.89  3.000
 GUU  H171  C17  C18   111.40  3.000
 GUU  H172  C17  C18   107.31  3.000
 GUU  H171  C17  C16   110.75  3.000
 GUU  H172  C17  C16   109.69  3.000
 GUU  C18   C17  C16   110.66  3.000
 GUU  N20   C18  O19   121.71  3.000
 GUU  N20   C18  C17   115.16  3.000
 GUU  O19   C18  C17   123.14  3.000
 GUU  H201  N20  S21   115.30  3.000
 GUU  H201  N20  C18   120.51  3.000
 GUU  S21   N20  C18   124.18  3.000
 GUU  C23   S21  O22   109.28  3.000
 GUU  C23   S21  N20   103.86  3.000
 GUU  O22   S21  N20   104.46  3.000
 GUU  C23   S21  O24   109.51  3.000
 GUU  O22   S21  O24   119.33  3.000
 GUU  N20   S21  O24   109.23  3.000
 GUU  H231  C23  H232  110.90  3.000
 GUU  H231  C23  H233  110.15  3.000
 GUU  H232  C23  H233  109.97  3.000
 GUU  H231  C23  S21   108.97  3.000
 GUU  H232  C23  S21   109.74  3.000
 GUU  H233  C23  S21   107.03  3.000
 GUU  N30   C25  N26   118.05  3.000
 GUU  N30   C25  C04   120.86  3.000
 GUU  N26   C25  C04   121.08  3.000
 GUU  C27   N26  C25   117.01  3.000
 GUU  N29   C27  N28   117.16  3.000
 GUU  N29   C27  N26   116.48  3.000
 GUU  N28   C27  N26   126.32  3.000
 GUU  C27   N28  C01   116.95  3.000
 GUU  H291  N29  H292  115.72  3.000
 GUU  H291  N29  C27   117.38  3.000
 GUU  H292  N29  C27   117.61  3.000
 GUU  H302  N30  H301  115.94  3.000
 GUU  H302  N30  C25   119.27  3.000
 GUU  H301  N30  C25   117.56  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
 GUU  CONST_01  C13   C12  C11  C10     0.00   0.0  0
 GUU  CONST_02  C13   C15  C14  C10     0.00   0.0  0
 GUU  CONST_03  N26   C25  C04  C01     0.00   0.0  0
 GUU  CONST_04  N26   C27  N28  C01     0.00   0.0  0
 GUU  CONST_05  C27   N28  C01  C04     0.00   0.0  0
 GUU  CONST_06  C27   N26  C25  C04     0.00   0.0  0
 GUU  CONST_07  C15   C13  C12  C11     0.00   0.0  0
 GUU  CONST_08  C15   C14  C10  C11     0.00   0.0  0
 GUU  CONST_09  C14   C10  C11  C12     0.00   0.0  0
 GUU  CONST_10  C14   C15  C13  C12     0.00   0.0  0
 GUU  CONST_11  N28   C01  C04  C25     0.00   0.0  0
 GUU  CONST_12  N28   C27  N26  C25     0.00   0.0  0
 GUU  CONST_13  N30   C25  C04  C01   180.00   0.0  0
 GUU  CONST_14  N29   C27  N28  C01   180.00   0.0  0
 GUU  CONST_15  C25   C04  C01  C02   180.00   0.0  0
 GUU  CONST_16  C27   N28  C01  C02   180.00   0.0  0
 GUU  CONST_17  N28   C01  C04  O05   180.00   0.0  0
 GUU  CONST_18  N26   C25  C04  O05   180.00   0.0  0
 GUU  CONST_19  C12   C11  C10  O09   180.00   0.0  0
 GUU  CONST_20  C15   C14  C10  O09   180.00   0.0  0
 GUU  CONST_21  C16   C14  C10  C11   180.00   0.0  0
 GUU  CONST_22  C16   C14  C15  C13   180.00   0.0  0
 GUU  CONST_23  N29   C27  N26  C25   180.00   0.0  0
 GUU  CONST_24  N30   C25  N26  C27   180.00   0.0  0
 GUU  CONST_25  H121  C12  C11  C10   180.00   0.0  0
 GUU  CONST_26  H151  C15  C14  C10   180.00   0.0  0
 GUU  CONST_27  H131  C13  C12  C11   180.00   0.0  0
 GUU  CONST_28  H151  C15  C13  C12   180.00   0.0  0
 GUU  CONST_29  H111  C11  C12  C13   180.00   0.0  0
 GUU  CONST_30  H111  C11  C10  C14   180.00   0.0  0
 GUU  CONST_31  H131  C13  C15  C14   180.00   0.0  0
 GUU  CONST_32  H121  C12  C13  C15   180.00   0.0  0
 GUU  CONST_33  H301  N30  C25  C04   180.00   0.0  0
 GUU  CONST_37  H301  N30  C25  N26     0.00   0.0  0
 GUU  CONST_41  S21   N20  C18  C17   180.00   0.0  0
 GUU  CONST_42  S21   N20  C18  O19     0.00   0.0  0
 GUU  CONST_43  H201  N20  C18  C17     0.00   0.0  0
 GUU  CONST_44  H201  N20  C18  O19   180.00   0.0  0
 GUU  Var_01    C17   C16  C14  C10   -78.12  30.0  2
 GUU  Var_02    C06   O05  C04  C01    94.30  30.0  2
 GUU  Var_03    C04   C01  C02  C03  -109.78  30.0  2
 GUU  Var_04    N28   C01  C02  C03    69.63  30.0  2
 GUU  Var_05    C25   C04  O05  C06   -87.77  30.0  2
 GUU  Var_06    C11   C10  O09  C08    -0.97  30.0  1
 GUU  Var_07    C14   C10  O09  C08   179.06  30.0  1
 GUU  Var_08    C17   C16  C14  C15   102.84  30.0  2
 GUU  Var_09    H161  C16  C14  C10    44.63  30.0  2
 GUU  Var_10    H162  C16  C14  C10   160.95  30.0  2
 GUU  Var_11    H021  C02  C01  C04   129.68  30.0  2
 GUU  Var_12    H022  C02  C01  C04    12.94  30.0  2
 GUU  Var_13    H161  C16  C14  C15  -134.41  30.0  2
 GUU  Var_14    H162  C16  C14  C15   -18.10  30.0  2
 GUU  Var_15    H021  C02  C01  N28   -50.91  30.0  2
 GUU  Var_16    H022  C02  C01  N28  -167.65  30.0  2
 GUU  Var_17    C07   C08  O09  C10  -151.30  30.0  3
 GUU  Var_18    C07   C06  O05  C04  -171.84  30.0  1
 GUU  Var_19    C18   C17  C16  C14  -177.16  30.0  2
 GUU  Var_20    H082  C08  O09  C10    88.00  30.0  3
 GUU  Var_21    H081  C08  O09  C10   -30.81  30.0  3
 GUU  Var_22    H031  C03  C02  C01   177.83  30.0  3
 GUU  Var_23    H033  C03  C02  C01   -61.68  30.0  3
 GUU  Var_24    H032  C03  C02  C01    58.55  30.0  3
 GUU  Var_25    H062  C06  O05  C04   -50.40  30.0  1
 GUU  Var_26    H061  C06  O05  C04    67.85  30.0  1
 GUU  Var_27    H172  C17  C16  C14   -58.94  30.0  2
 GUU  Var_28    H171  C17  C16  C14    58.80  30.0  2
 GUU  Var_29    C18   N20  S21  O24   -47.91  30.0  3
 GUU  Var_30    C08   C07  C06  O05    66.19  30.0  1
 GUU  Var_31    O09   C08  C07  C06    69.60  30.0  2
 GUU  Var_32    O19   C18  C17  C16    51.23  30.0  1
 GUU  Var_33    N20   C18  C17  C16  -129.19  30.0  1
 GUU  Var_34    O22   S21  N20  C18  -176.64  30.0  1
 GUU  Var_35    C23   S21  N20  C18    68.85  30.0  1
 GUU  Var_36    H201  N20  S21  O24   130.54  30.0  3
 GUU  Var_37    H233  C23  S21  O24   -66.22  30.0  3
 GUU  Var_38    H232  C23  S21  O24    53.08  30.0  3
 GUU  Var_39    H231  C23  S21  O24   174.69  30.0  3
 GUU  Var_40    H072  C07  C06  O05  -170.89  30.0  1
 GUU  Var_41    H071  C07  C06  O05   -55.22  30.0  1
 GUU  Var_42    H082  C08  C07  C06  -170.51  30.0  2
 GUU  Var_43    H081  C08  C07  C06   -52.25  30.0  2
 GUU  Var_44    H062  C06  C07  C08   -54.75  30.0  3
 GUU  Var_45    H061  C06  C07  C08  -173.29  30.0  3
 GUU  Var_46    H072  C07  C08  O09   -52.64  30.0  3
 GUU  Var_47    H071  C07  C08  O09  -168.44  30.0  3
 GUU  Var_48    H161  C16  C17  C18    59.51  30.0  3
 GUU  Var_49    H162  C16  C17  C18   -56.36  30.0  3
 GUU  Var_50    H172  C17  C18  O19   -68.43  30.0  3
 GUU  Var_51    H171  C17  C18  O19   174.89  30.0  3
 GUU  Var_52    H172  C17  C18  N20   111.15  30.0  3
 GUU  Var_53    H171  C17  C18  N20    -5.53  30.0  3
 GUU  Var_54    H233  C23  S21  N20   177.21  30.0  3
 GUU  Var_55    H232  C23  S21  N20   -63.48  30.0  3
 GUU  Var_56    H231  C23  S21  N20    58.12  30.0  3
 GUU  Var_57    H201  N20  S21  O22     1.81  30.0  3
 GUU  Var_58    H233  C23  S21  O22    66.19  30.0  3
 GUU  Var_59    H232  C23  S21  O22  -174.50  30.0  3
 GUU  Var_60    H231  C23  S21  O22   -52.90  30.0  3
 GUU  Var_61    H201  N20  S21  C23  -112.70  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
 GUU  plan-1  C01   0.020
 GUU  plan-1  C02   0.020
 GUU  plan-1  C04   0.020
 GUU  plan-1  O05   0.020
 GUU  plan-1  C25   0.020
 GUU  plan-1  N26   0.020
 GUU  plan-1  C27   0.020
 GUU  plan-1  N28   0.020
 GUU  plan-1  N29   0.020
 GUU  plan-1  N30   0.020
 GUU  plan-2  C10   0.020
 GUU  plan-2  O09   0.020
 GUU  plan-2  C11   0.020
 GUU  plan-2  C12   0.020
 GUU  plan-2  C13   0.020
 GUU  plan-2  C14   0.020
 GUU  plan-2  C15   0.020
 GUU  plan-2  C16   0.020
 GUU  plan-2  H111  0.020
 GUU  plan-2  H121  0.020
 GUU  plan-2  H131  0.020
 GUU  plan-2  H151  0.020
 GUU  plan-3  C17   0.020
 GUU  plan-3  C18   0.020
 GUU  plan-3  O19   0.020
 GUU  plan-3  N20   0.020
 GUU  plan-3  S21   0.020
 GUU  plan-3  H201  0.020
 GUU  plan-4  C27   0.020
 GUU  plan-4  N29   0.020
 GUU  plan-4  H292  0.020
 GUU  plan-4  H291  0.020
 GUU  plan-5  C25   0.020
 GUU  plan-5  N30   0.020
 GUU  plan-5  H301  0.020
 GUU  plan-5  H302  0.020

