# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Jul 31 15:19:41 2022
#   Inital geometry file: a 135 line input string
#   Ligand name: 2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cc1c(cccc1c2oc(Nc3cccc(CNCCO)c3)nn2)c4ccccc4
#
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
 HOU  HOU  "2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol"
  ligand  54  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_HOU
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
 HOU  C01  C  CR16  0  -0.263  146.4323   -5.4446  20.1453
 HOU  C02  C  CR16  0  -0.239  147.2038   -6.5311  20.5384
 HOU  C03  C  CR16  0  -0.277  146.8671   -7.8112  20.1232
 HOU  C04  C  CR6   0   0.018  145.7565   -8.0241  19.3074
 HOU  C05  C  CR16  0  -0.289  144.9942   -6.9273  18.9106
 HOU  C06  C  CR16  0  -0.239  145.3269   -5.6461  19.3303
 HOU  C07  C  CR6   0   0.048  145.4138   -9.3870  18.8315
 HOU  C08  C  CR16  0  -0.275  145.4602   -9.6278  17.4605
 HOU  C09  C  CR16  0  -0.243  145.1727  -10.8809  16.9473
 HOU  C10  C  CR16  0  -0.288  144.8417  -11.9081  17.8094
 HOU  C11  C  CR6   0  -0.015  144.7824  -11.6843  19.1872
 HOU  C12  C  CR6   0   0.062  145.0515  -10.4101  19.7209
 HOU  C13  C  CH3   0  -0.748  144.9121  -10.1253  21.1889
 HOU  C14  C  CR5   0   0.439  144.4379  -12.8146  20.0405
 HOU  C16  C  CR5   0   0.704  143.6309  -14.7192  20.4961
 HOU  C20  C  CR6   0   0.379  142.6606  -16.8971  21.1156
 HOU  C21  C  CR16  0  -0.359  141.8944  -17.9494  20.6143
 HOU  C22  C  CR16  0  -0.231  141.5429  -19.0032  21.4413
 HOU  C23  C  CR16  0  -0.309  141.9444  -19.0255  22.7680
 HOU  C24  C  CR6   0   0.115  142.7188  -17.9856  23.2734
 HOU  C25  C  CR16  0  -0.386  143.0719  -16.9225  22.4491
 HOU  C26  C  CH2   0  -0.340  143.1430  -17.9946  24.7175
 HOU  C28  C  CH2   0  -0.315  142.3017  -17.7604  27.0042
 HOU  C29  C  CH2   0  -0.140  142.1877  -19.1182  27.6660
 HOU  N17  N  N     0  -0.378  144.1740  -14.2805  21.5869
 HOU  N18  N  N     0  -0.291  144.6933  -13.0489  21.2762
 HOU  N19  N  NH1   0  -0.797  142.9744  -15.8622  20.2327
 HOU  N27  N  NH1   0  -0.595  141.9931  -17.7765  25.5819
 HOU  O15  O  O     0  -0.439  143.7601  -13.8536  19.4840
 HOU  O30  O  OH1   0  -0.664  143.1994  -19.9822  27.1952
 HOU  H31  H  HCR6  0   0.256  146.6926   -4.4460  20.4715
 HOU  H32  H  HCR6  0   0.255  148.0714   -6.3815  21.1681
 HOU  H33  H  HCR6  0   0.253  147.4757   -8.6533  20.4300
 HOU  H34  H  HCR6  0   0.251  144.1284   -7.0793  18.2776
 HOU  H35  H  HCR6  0   0.255  144.7202   -4.8052  19.0199
 HOU  H36  H  HCR6  0   0.258  145.7388   -8.8231  16.7916
 HOU  H37  H  HCR6  0   0.262  145.2189  -11.0599  15.8817
 HOU  H38  H  HCR6  0   0.263  144.6397  -12.8906  17.4049
 HOU  H41  H  HCH3  0   0.253  144.0351  -10.6167  21.6063
 HOU  H39  H  HCH3  0   0.252  145.7727  -10.4838  21.7550
 HOU  H40  H  HCH3  0   0.255  144.8180   -9.0584  21.3726
 HOU  H43  H  HCR6  0   0.268  141.5732  -17.9421  19.5792
 HOU  H44  H  HCR6  0   0.256  140.9482  -19.8136  21.0400
 HOU  H45  H  HCR6  0   0.244  141.6636  -19.8524  23.4084
 HOU  H46  H  HCR6  0   0.282  143.6683  -16.1165  22.8521
 HOU  H47  H  HCH2  0   0.244  143.5808  -18.9634  24.9579
 HOU  H48  H  HCH2  0   0.209  143.9355  -17.2466  24.8721
 HOU  H51  H  HCH2  0   0.199  143.2920  -17.3293  27.2174
 HOU  H50  H  HCH2  0   0.237  141.5748  -17.1122  27.4982
 HOU  H53  H  HCH2  0   0.189  142.2605  -18.9749  28.7526
 HOU  H52  H  HCH2  0   0.188  141.1876  -19.5205  27.4606
 HOU  H42  H  HNH1  0   0.430  142.6357  -15.9641  19.2867
 HOU  H5   H  HNH1  0   0.347  141.5769  -16.8892  25.3302
 HOU  H54  H  HOH1  0   0.451  143.0524  -20.8534  27.5743

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
 HOU  C09  C08  aromatic  1.384  0.020  1.384
 HOU  C09  C10  aromatic  1.381  0.020  1.381
 HOU  C08  C07  aromatic  1.393  0.020  1.393
 HOU  C10  C11  aromatic  1.397  0.020  1.397
 HOU  C07  C04  single    1.484  0.020  1.484
 HOU  C07  C12  aromatic  1.403  0.020  1.403
 HOU  C11  C14  single    1.457  0.020  1.457
 HOU  C11  C12  aromatic  1.407  0.020  1.407
 HOU  O15  C14  aromatic  1.360  0.020  1.360
 HOU  O15  C16  aromatic  1.338  0.020  1.338
 HOU  N19  C16  single    1.344  0.020  1.344
 HOU  N19  C20  single    1.396  0.020  1.396
 HOU  C05  C04  aromatic  1.393  0.020  1.393
 HOU  C05  C06  aromatic  1.389  0.020  1.389
 HOU  C14  N18  aromatic  1.283  0.020  1.283
 HOU  C04  C03  aromatic  1.394  0.020  1.394
 HOU  C12  C13  single    1.502  0.020  1.502
 HOU  C16  N17  aromatic  1.295  0.020  1.295
 HOU  C03  C02  aromatic  1.387  0.020  1.387
 HOU  C06  C01  aromatic  1.388  0.020  1.388
 HOU  C21  C20  aromatic  1.395  0.020  1.395
 HOU  C21  C22  aromatic  1.385  0.020  1.385
 HOU  C20  C25  aromatic  1.396  0.020  1.396
 HOU  N17  N18  aromatic  1.372  0.020  1.372
 HOU  C02  C01  aromatic  1.389  0.020  1.389
 HOU  C22  C23  aromatic  1.386  0.020  1.386
 HOU  C25  C24  aromatic  1.391  0.020  1.391
 HOU  C23  C24  aromatic  1.392  0.020  1.392
 HOU  C24  C26  single    1.505  0.020  1.505
 HOU  C26  N27  single    1.455  0.020  1.455
 HOU  N27  C28  single    1.456  0.020  1.456
 HOU  C28  C29  single    1.515  0.020  1.515
 HOU  O30  C29  single    1.411  0.020  1.411
 HOU  C01  H31  single    0.930  0.020  1.080
 HOU  C02  H32  single    0.930  0.020  1.080
 HOU  C03  H33  single    0.930  0.020  1.080
 HOU  C05  H34  single    0.930  0.020  1.080
 HOU  C06  H35  single    0.930  0.020  1.080
 HOU  C08  H36  single    0.930  0.020  1.080
 HOU  C09  H37  single    0.930  0.020  1.080
 HOU  C10  H38  single    0.930  0.020  1.080
 HOU  C13  H41  single    0.970  0.020  1.090
 HOU  C13  H39  single    0.970  0.020  1.090
 HOU  C13  H40  single    0.970  0.020  1.090
 HOU  C21  H43  single    0.930  0.020  1.080
 HOU  C22  H44  single    0.930  0.020  1.080
 HOU  C23  H45  single    0.930  0.020  1.080
 HOU  C25  H46  single    0.930  0.020  1.080
 HOU  C26  H47  single    0.970  0.020  1.090
 HOU  C26  H48  single    0.970  0.020  1.090
 HOU  C28  H51  single    0.970  0.020  1.090
 HOU  C28  H50  single    0.970  0.020  1.090
 HOU  C29  H53  single    0.970  0.020  1.090
 HOU  C29  H52  single    0.970  0.020  1.090
 HOU  N19  H42  single    0.860  0.020  1.020
 HOU  N27  H5   single    0.890  0.020  1.040
 HOU  O30  H54  single    0.850  0.020  0.980

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
 HOU  H31  C01  C06  120.16  3.000
 HOU  H31  C01  C02  120.18  3.000
 HOU  C06  C01  C02  119.66  3.000
 HOU  H32  C02  C03  119.75  3.000
 HOU  H32  C02  C01  120.11  3.000
 HOU  C03  C02  C01  120.14  3.000
 HOU  H33  C03  C04  119.63  3.000
 HOU  H33  C03  C02  119.75  3.000
 HOU  C04  C03  C02  120.62  3.000
 HOU  C07  C04  C05  120.35  3.000
 HOU  C05  C04  C03  118.83  3.000
 HOU  C07  C04  C03  120.79  3.000
 HOU  H34  C05  C06  119.84  3.000
 HOU  H34  C05  C04  119.56  3.000
 HOU  C06  C05  C04  120.60  3.000
 HOU  H35  C06  C05  119.73  3.000
 HOU  H35  C06  C01  120.13  3.000
 HOU  C05  C06  C01  120.15  3.000
 HOU  C12  C07  C08  120.43  3.000
 HOU  C12  C07  C04  121.74  3.000
 HOU  C08  C07  C04  117.83  3.000
 HOU  H36  C08  C09  119.81  3.000
 HOU  H36  C08  C07  119.22  3.000
 HOU  C09  C08  C07  120.97  3.000
 HOU  H37  C09  C10  120.14  3.000
 HOU  H37  C09  C08  120.41  3.000
 HOU  C10  C09  C08  119.44  3.000
 HOU  H38  C10  C11  120.42  3.000
 HOU  H38  C10  C09  119.14  3.000
 HOU  C11  C10  C09  120.44  3.000
 HOU  C14  C11  C12  121.69  3.000
 HOU  C12  C11  C10  120.72  3.000
 HOU  C14  C11  C10  117.60  3.000
 HOU  C13  C12  C11  121.64  3.000
 HOU  C13  C12  C07  120.35  3.000
 HOU  C11  C12  C07  117.98  3.000
 HOU  H40  C13  H39  107.66  3.000
 HOU  H40  C13  H41  107.97  3.000
 HOU  H39  C13  H41  106.76  3.000
 HOU  H40  C13  C12  111.07  3.000
 HOU  H39  C13  C12  111.82  3.000
 HOU  H41  C13  C12  111.35  3.000
 HOU  O15  C14  N18  110.72  3.000
 HOU  N18  C14  C11  131.17  3.000
 HOU  O15  C14  C11  118.08  3.000
 HOU  O15  C16  N19  116.68  3.000
 HOU  N19  C16  N17  131.14  3.000
 HOU  O15  C16  N17  112.18  3.000
 HOU  N19  C20  C25  123.47  3.000
 HOU  C25  C20  C21  119.44  3.000
 HOU  N19  C20  C21  117.10  3.000
 HOU  H43  C21  C22  120.01  3.000
 HOU  H43  C21  C20  120.06  3.000
 HOU  C22  C21  C20  119.93  3.000
 HOU  H44  C22  C23  120.13  3.000
 HOU  H44  C22  C21  119.19  3.000
 HOU  C23  C22  C21  120.68  3.000
 HOU  H45  C23  C24  120.01  3.000
 HOU  H45  C23  C22  120.20  3.000
 HOU  C24  C23  C22  119.79  3.000
 HOU  C26  C24  C25  120.11  3.000
 HOU  C26  C24  C23  120.06  3.000
 HOU  C25  C24  C23  119.81  3.000
 HOU  H46  C25  C24  119.29  3.000
 HOU  H46  C25  C20  120.35  3.000
 HOU  C24  C25  C20  120.36  3.000
 HOU  H48  C26  H47  106.49  3.000
 HOU  H48  C26  N27  112.57  3.000
 HOU  H47  C26  N27  108.64  3.000
 HOU  H48  C26  C24  109.49  3.000
 HOU  H47  C26  C24  109.27  3.000
 HOU  N27  C26  C24  110.27  3.000
 HOU  H50  C28  H51  106.18  3.000
 HOU  H50  C28  N27  107.90  3.000
 HOU  H51  C28  N27  112.60  3.000
 HOU  H50  C28  C29  106.52  3.000
 HOU  H51  C28  C29  109.52  3.000
 HOU  N27  C28  C29  113.64  3.000
 HOU  H52  C29  H53  107.06  3.000
 HOU  H52  C29  O30  111.50  3.000
 HOU  H53  C29  O30  111.25  3.000
 HOU  H52  C29  C28  108.39  3.000
 HOU  H53  C29  C28  108.07  3.000
 HOU  O30  C29  C28  110.43  3.000
 HOU  N18  N17  C16  105.79  3.000
 HOU  N17  N18  C14  107.85  3.000
 HOU  H42  N19  C20  116.24  3.000
 HOU  H42  N19  C16  115.67  3.000
 HOU  C20  N19  C16  128.04  3.000
 HOU  H5   N27  C28  108.70  3.000
 HOU  H5   N27  C26  107.98  3.000
 HOU  C28  N27  C26  114.49  3.000
 HOU  C16  O15  C14  103.47  3.000
 HOU  H54  O30  C29  108.28  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
 HOU  CONST_01  C04  C05  C06  C01     0.00   0.0  0
 HOU  CONST_02  C04  C03  C02  C01     0.00   0.0  0
 HOU  CONST_03  C07  C04  C03  C02   180.00   0.0  0
 HOU  CONST_04  C05  C04  C03  C02     0.00   0.0  0
 HOU  CONST_05  C05  C06  C01  C02     0.00   0.0  0
 HOU  CONST_08  C06  C05  C04  C03     0.00   0.0  0
 HOU  CONST_09  C06  C01  C02  C03     0.00   0.0  0
 HOU  CONST_10  C09  C08  C07  C04   180.00   0.0  0
 HOU  CONST_11  C11  C12  C07  C04   180.00   0.0  0
 HOU  CONST_14  C07  C04  C05  C06   180.00   0.0  0
 HOU  CONST_15  C10  C09  C08  C07     0.00   0.0  0
 HOU  CONST_16  C10  C11  C12  C07     0.00   0.0  0
 HOU  CONST_17  C14  C11  C12  C07   180.00   0.0  0
 HOU  CONST_18  C11  C10  C09  C08     0.00   0.0  0
 HOU  CONST_19  C11  C12  C07  C08     0.00   0.0  0
 HOU  CONST_20  C12  C07  C08  C09     0.00   0.0  0
 HOU  CONST_21  C14  C11  C10  C09   180.00   0.0  0
 HOU  CONST_22  C12  C11  C10  C09     0.00   0.0  0
 HOU  CONST_25  C16  O15  C14  C11   180.00   0.0  0
 HOU  CONST_26  N17  N18  C14  C11   180.00   0.0  0
 HOU  CONST_29  N17  C16  O15  C14     0.00   0.0  0
 HOU  CONST_30  C16  N17  N18  C14     0.00   0.0  0
 HOU  CONST_31  N18  C14  O15  C16     0.00   0.0  0
 HOU  CONST_32  C23  C22  C21  C20     0.00   0.0  0
 HOU  CONST_33  C23  C24  C25  C20     0.00   0.0  0
 HOU  CONST_34  C24  C25  C20  C21     0.00   0.0  0
 HOU  CONST_35  C24  C23  C22  C21     0.00   0.0  0
 HOU  CONST_36  C25  C20  C21  C22     0.00   0.0  0
 HOU  CONST_37  C25  C24  C23  C22     0.00   0.0  0
 HOU  CONST_38  O15  C14  N18  N17     0.00   0.0  0
 HOU  CONST_39  O15  C16  N17  N18     0.00   0.0  0
 HOU  CONST_40  C13  C12  C07  C04     0.00   0.0  0
 HOU  CONST_41  C13  C12  C07  C08   180.00   0.0  0
 HOU  CONST_42  C13  C12  C11  C10   180.00   0.0  0
 HOU  CONST_43  C14  C11  C12  C13     0.00   0.0  0
 HOU  CONST_44  N19  C16  O15  C14   180.00   0.0  0
 HOU  CONST_45  C26  C24  C25  C20   180.00   0.0  0
 HOU  CONST_46  N19  C20  C21  C22   180.00   0.0  0
 HOU  CONST_47  C26  C24  C23  C22   180.00   0.0  0
 HOU  CONST_48  N19  C20  C25  C24   180.00   0.0  0
 HOU  CONST_49  N19  C16  N17  N18   180.00   0.0  0
 HOU  CONST_50  H34  C05  C06  C01   180.00   0.0  0
 HOU  CONST_51  H33  C03  C02  C01   180.00   0.0  0
 HOU  CONST_52  H35  C06  C01  C02   180.00   0.0  0
 HOU  CONST_53  H34  C05  C04  C03   180.00   0.0  0
 HOU  CONST_54  H31  C01  C02  C03   180.00   0.0  0
 HOU  CONST_55  H36  C08  C07  C04     0.00   0.0  0
 HOU  CONST_56  H35  C06  C05  C04   180.00   0.0  0
 HOU  CONST_57  H32  C02  C03  C04   180.00   0.0  0
 HOU  CONST_58  H33  C03  C04  C05   180.00   0.0  0
 HOU  CONST_59  H31  C01  C06  C05   180.00   0.0  0
 HOU  CONST_60  H32  C02  C01  C06   180.00   0.0  0
 HOU  CONST_61  H37  C09  C08  C07   180.00   0.0  0
 HOU  CONST_62  H34  C05  C04  C07     0.00   0.0  0
 HOU  CONST_63  H33  C03  C04  C07     0.00   0.0  0
 HOU  CONST_64  H38  C10  C09  C08   180.00   0.0  0
 HOU  CONST_65  H36  C08  C09  C10   180.00   0.0  0
 HOU  CONST_66  H37  C09  C10  C11   180.00   0.0  0
 HOU  CONST_67  H36  C08  C07  C12   180.00   0.0  0
 HOU  CONST_68  H38  C10  C11  C12   180.00   0.0  0
 HOU  CONST_69  H38  C10  C11  C14     0.00   0.0  0
 HOU  CONST_70  H44  C22  C21  C20   180.00   0.0  0
 HOU  CONST_71  H46  C25  C20  C21   180.00   0.0  0
 HOU  CONST_72  H45  C23  C22  C21   180.00   0.0  0
 HOU  CONST_73  H43  C21  C22  C23   180.00   0.0  0
 HOU  CONST_74  H46  C25  C24  C23   180.00   0.0  0
 HOU  CONST_75  H44  C22  C23  C24   180.00   0.0  0
 HOU  CONST_76  H43  C21  C20  C25   180.00   0.0  0
 HOU  CONST_77  H45  C23  C24  C25   180.00   0.0  0
 HOU  Var_01    C21  C20  N19  C16   176.12  30.0  2
 HOU  Var_02    C25  C20  N19  C16    -3.87  30.0  2
 HOU  Var_03    O15  C16  N19  C20  -177.31  30.0  2
 HOU  Var_04    N17  C16  N19  C20     2.21  30.0  2
 HOU  Var_05    N27  C26  C24  C23   -69.41  30.0  2
 HOU  Var_06    N27  C26  C24  C25   109.01  30.0  2
 HOU  Var_07    H41  C13  C12  C07   137.89  30.0  2
 HOU  Var_08    H39  C13  C12  C07  -102.77  30.0  2
 HOU  Var_09    H40  C13  C12  C07    17.52  30.0  2
 HOU  Var_10    H41  C13  C12  C11   -39.90  30.0  2
 HOU  Var_11    H39  C13  C12  C11    79.43  30.0  2
 HOU  Var_12    H40  C13  C12  C11  -160.27  30.0  2
 HOU  Var_13    H42  N19  C20  C21    -1.19  30.0  2
 HOU  Var_14    H47  C26  C24  C23    49.94  30.0  2
 HOU  Var_15    H48  C26  C24  C23   166.21  30.0  2
 HOU  Var_16    H42  N19  C20  C25   178.83  30.0  2
 HOU  Var_17    H47  C26  C24  C25  -131.64  30.0  2
 HOU  Var_18    H48  C26  C24  C25   -15.36  30.0  2
 HOU  Var_19    H42  N19  C16  N17   179.53  30.0  1
 HOU  Var_20    H42  N19  C16  O15     0.01  30.0  1
 HOU  Var_21    C28  N27  C26  C24  -179.68  30.0  3
 HOU  Var_22    H5   N27  C26  C24   -58.46  30.0  3
 HOU  Var_23    C29  C28  N27  C26   -91.27  30.0  3
 HOU  Var_24    O30  C29  C28  N27    68.06  30.0  3
 HOU  Var_25    H51  C28  N27  C26    34.00  30.0  3
 HOU  Var_26    H50  C28  N27  C26   150.85  30.0  3
 HOU  Var_27    H47  C26  N27  C28    60.59  30.0  1
 HOU  Var_28    H48  C26  N27  C28   -57.09  30.0  1
 HOU  Var_29    H5   N27  C28  C29   147.91  30.0  1
 HOU  Var_30    H53  C29  C28  N27  -170.04  30.0  3
 HOU  Var_31    H52  C29  C28  N27   -54.34  30.0  3
 HOU  Var_32    H51  C28  C29  O30   -58.83  30.0  1
 HOU  Var_33    H50  C28  C29  O30  -173.26  30.0  1

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
 HOU  plan-1  C11  0.020
 HOU  plan-1  C14  0.020
 HOU  plan-1  C16  0.020
 HOU  plan-1  N17  0.020
 HOU  plan-1  N18  0.020
 HOU  plan-1  N19  0.020
 HOU  plan-1  O15  0.020
 HOU  plan-2  C01  0.020
 HOU  plan-2  C02  0.020
 HOU  plan-2  C03  0.020
 HOU  plan-2  C04  0.020
 HOU  plan-2  C05  0.020
 HOU  plan-2  C06  0.020
 HOU  plan-2  C07  0.020
 HOU  plan-2  H31  0.020
 HOU  plan-2  H32  0.020
 HOU  plan-2  H33  0.020
 HOU  plan-2  H34  0.020
 HOU  plan-2  H35  0.020
 HOU  plan-3  C04  0.020
 HOU  plan-3  C07  0.020
 HOU  plan-3  C08  0.020
 HOU  plan-3  C09  0.020
 HOU  plan-3  C10  0.020
 HOU  plan-3  C11  0.020
 HOU  plan-3  C12  0.020
 HOU  plan-3  C13  0.020
 HOU  plan-3  C14  0.020
 HOU  plan-3  H36  0.020
 HOU  plan-3  H37  0.020
 HOU  plan-3  H38  0.020
 HOU  plan-4  C20  0.020
 HOU  plan-4  C21  0.020
 HOU  plan-4  C22  0.020
 HOU  plan-4  C23  0.020
 HOU  plan-4  C24  0.020
 HOU  plan-4  C25  0.020
 HOU  plan-4  C26  0.020
 HOU  plan-4  N19  0.020
 HOU  plan-4  H43  0.020
 HOU  plan-4  H44  0.020
 HOU  plan-4  H45  0.020
 HOU  plan-4  H46  0.020

