# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Apr  4 11:10:16 2020
#   Inital geometry file: a 160 line input string
#   Ligand name: 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1ccc(cc1)N2C(=Nc3ccccc3C2=O)CCN4C(=O)c5cccc(OC(C)C)c5C4=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
 4Q0  4Q0  2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione  ligand  61  36  .  2021-08-04  2021-08-04  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_4Q0
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
 4Q0  C2   C  CR16  0  -0.312   4.2312   3.7311  -0.4565
 4Q0  C3   C  CR66  0   0.259   3.8440   2.3886  -0.3549
 4Q0  C5   C  CR16  0  -0.278   6.1361   1.7227  -0.8002
 4Q0  C9   C  CR6   0   0.237   2.5819  -1.5379  -0.0481
 4Q0  C11  C  CH2   0  -0.299  -0.1129   1.7803   0.5006
 4Q0  C12  C  CR16  0  -0.231   2.0839  -2.1883  -1.1615
 4Q0  C13  C  CR16  0  -0.391   1.6165  -3.4920  -1.0649
 4Q0  C15  C  CR16  0  -0.349   2.1719  -3.4919   1.2818
 4Q0  C18  C  CH3   0  -0.440   0.6639  -6.1126  -0.7308
 4Q0  N19  N  NR5   0  -0.606  -1.4818   1.4171   0.7953
 4Q0  C20  C  CR5   0   0.585  -1.9761   1.2268   2.0697
 4Q0  C21  C  CR56  0  -0.034  -3.3960   0.8302   1.9038
 4Q0  C22  C  CR56  0  -0.141  -3.6708   0.7895   0.5451
 4Q0  C    C  CR16  0  -0.259   6.5038   3.0468  -0.8970
 4Q0  N    N  N     0  -0.483   2.5297   2.0953  -0.0847
 4Q0  C1   C  CR16  0  -0.238   5.5443   4.0512  -0.7245
 4Q0  C4   C  CR66  0  -0.097   4.8058   1.3872  -0.5302
 4Q0  C6   C  CR6   0   0.506   2.1739   0.8670   0.0059
 4Q0  N7   N  NR6   0  -0.656   3.0461  -0.1890  -0.1557
 4Q0  C8   C  CR6   0   0.557   4.3989  -0.0063  -0.4268
 4Q0  C14  C  CR6   0   0.397   1.6587  -4.1527   0.1615
 4Q0  C16  C  CR16  0  -0.234   2.6309  -2.1943   1.1751
 4Q0  O17  O  O2    0  -0.466   1.2332  -5.4105   0.3585
 4Q0  C23  C  CR5   0   0.577  -2.4406   1.1603  -0.1819
 4Q0  C24  C  CR16  0  -0.338  -4.3334   0.5261   2.8618
 4Q0  C25  C  CR16  0  -0.233  -5.5971   0.1652   2.3947
 4Q0  C26  C  CR16  0  -0.381  -5.8952   0.1133   1.0410
 4Q0  C27  C  CR6   0   0.393  -4.9275   0.4263   0.0712
 4Q0  O28  O  O     0  -0.397  -2.2382   1.2418  -1.3672
 4Q0  O29  O  O     0  -0.407  -1.3524   1.3610   3.0935
 4Q0  O30  O  O2    0  -0.452  -5.1087   0.3910  -1.2440
 4Q0  C31  C  CH1   0  -0.016  -6.3724   0.0023  -1.8105
 4Q0  C32  C  CH3   0  -0.679  -7.3526   1.1611  -1.7788
 4Q0  C33  C  CH3   0  -0.661  -6.0734  -0.4555  -3.2230
 4Q0  H1   H  HCR6  0   0.266   3.4842   4.5024  -0.3220
 4Q0  H2   H  HCR6  0   0.268   6.8704   0.9393  -0.9309
 4Q0  H3   H  HCH2  0   0.290   0.6941  -0.0978   1.1914
 4Q0  H4   H  HCH2  0   0.292   0.3352  -0.0660  -0.5155
 4Q0  H5   H  HCH2  0   0.277   0.2637   2.3852   1.3223
 4Q0  H6   H  HCH2  0   0.278  -0.1059   2.4053  -0.3898
 4Q0  H7   H  HCR6  0   0.276   2.0499  -1.6787  -2.1163
 4Q0  H8   H  HCR6  0   0.288   1.2271  -3.9688  -1.9532
 4Q0  H9   H  HCR6  0   0.273   2.2041  -4.0036   2.2352
 4Q0  H10  H  HCH3  0   0.232  -0.2286  -5.6116  -1.1135
 4Q0  H11  H  HCH3  0   0.232   1.3760  -6.2425  -1.5493
 4Q0  H12  H  HCH3  0   0.263   0.3827  -7.0920  -0.3528
 4Q0  H13  H  HCR6  0   0.267   7.5313   3.3112  -1.1063
 4Q0  H14  H  HCR6  0   0.270   5.8366   5.0902  -0.8035
 4Q0  H15  H  HCR6  0   0.273   3.0213  -1.6877   2.0485
 4Q0  H16  H  HCR6  0   0.271  -4.1096   0.5616   3.9189
 4Q0  H17  H  HCR6  0   0.281  -6.3769  -0.0842   3.1019
 4Q0  H18  H  HCR6  0   0.298  -6.8949  -0.1788   0.7531
 4Q0  H19  H  HCH1  0   0.241  -6.7720  -0.8455  -1.2451
 4Q0  H20  H  HCH3  0   0.244  -8.2997   0.8488  -2.2187
 4Q0  H21  H  HCH3  0   0.244  -7.5608   1.5089  -0.7669
 4Q0  H22  H  HCH3  0   0.237  -6.9738   2.0046  -2.3578
 4Q0  H23  H  HCH3  0   0.244  -5.3684  -1.2867  -3.2306
 4Q0  H24  H  HCH3  0   0.237  -6.9930  -0.7936  -3.6995
 4Q0  H25  H  HCH3  0   0.233  -5.6629   0.3578  -3.8232
 4Q0  C10  C  CH2   0  -0.562   0.7433   0.5352   0.3014
 4Q0  O    O  O     0  -0.445   5.1403  -0.9599  -0.5597

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
 4Q0  C32  C31  single    1.518  0.020  1.518
 4Q0  C33  C31  single    1.515  0.020  1.515
 4Q0  C31  O30  single    1.438  0.020  1.438
 4Q0  O30  C27  single    1.328  0.020  1.328
 4Q0  C27  C26  aromatic  1.405  0.020  1.405
 4Q0  C27  C22  aromatic  1.391  0.020  1.391
 4Q0  C26  C25  aromatic  1.387  0.020  1.387
 4Q0  O28  C23  double    1.205  0.020  1.205
 4Q0  C22  C23  single    1.476  0.020  1.476
 4Q0  C22  C21  aromatic  1.387  0.020  1.387
 4Q0  C25  C24  aromatic  1.395  0.020  1.395
 4Q0  C23  N19  single    1.393  0.020  1.393
 4Q0  C21  C24  aromatic  1.374  0.020  1.374
 4Q0  C21  C20  single    1.484  0.020  1.484
 4Q0  N19  C20  single    1.380  0.020  1.380
 4Q0  N19  C11  single    1.447  0.020  1.447
 4Q0  C20  O29  double    1.206  0.020  1.206
 4Q0  C10  C11  single    1.524  0.020  1.524
 4Q0  C10  C6   single    1.498  0.020  1.498
 4Q0  N    C6   double    1.282  0.020  1.282
 4Q0  N    C3   single    1.373  0.020  1.373
 4Q0  C6   N7   single    1.379  0.020  1.379
 4Q0  C2   C3   aromatic  1.401  0.020  1.401
 4Q0  C2   C1   aromatic  1.378  0.020  1.378
 4Q0  C3   C4   aromatic  1.400  0.020  1.400
 4Q0  C16  C15  aromatic  1.380  0.020  1.380
 4Q0  C16  C9   aromatic  1.389  0.020  1.389
 4Q0  N7   C9   single    1.431  0.020  1.431
 4Q0  N7   C8   single    1.392  0.020  1.392
 4Q0  C15  C14  aromatic  1.398  0.020  1.398
 4Q0  C1   C    aromatic  1.400  0.020  1.400
 4Q0  C9   C12  aromatic  1.382  0.020  1.382
 4Q0  C14  O17  single    1.342  0.020  1.342
 4Q0  C14  C13  aromatic  1.394  0.020  1.394
 4Q0  C12  C13  aromatic  1.388  0.020  1.388
 4Q0  C4   C8   single    1.455  0.020  1.455
 4Q0  C4   C5   aromatic  1.398  0.020  1.398
 4Q0  O17  C18  single    1.415  0.020  1.415
 4Q0  C8   O    double    1.215  0.020  1.215
 4Q0  C    C5   aromatic  1.378  0.020  1.378
 4Q0  C2   H1   single    0.930  0.020  1.080
 4Q0  C5   H2   single    0.930  0.020  1.080
 4Q0  C10  H3   single    0.970  0.020  1.090
 4Q0  C10  H4   single    0.970  0.020  1.090
 4Q0  C11  H5   single    0.970  0.020  1.090
 4Q0  C11  H6   single    0.970  0.020  1.090
 4Q0  C12  H7   single    0.930  0.020  1.080
 4Q0  C13  H8   single    0.930  0.020  1.080
 4Q0  C15  H9   single    0.930  0.020  1.080
 4Q0  C18  H10  single    0.970  0.020  1.090
 4Q0  C18  H11  single    0.970  0.020  1.090
 4Q0  C18  H12  single    0.970  0.020  1.090
 4Q0  C    H13  single    0.930  0.020  1.080
 4Q0  C1   H14  single    0.930  0.020  1.080
 4Q0  C16  H15  single    0.930  0.020  1.080
 4Q0  C24  H16  single    0.930  0.020  1.080
 4Q0  C25  H17  single    0.930  0.020  1.080
 4Q0  C26  H18  single    0.930  0.020  1.080
 4Q0  C31  H19  single    0.970  0.020  1.090
 4Q0  C32  H20  single    0.970  0.020  1.090
 4Q0  C32  H21  single    0.970  0.020  1.090
 4Q0  C32  H22  single    0.970  0.020  1.090
 4Q0  C33  H23  single    0.970  0.020  1.090
 4Q0  C33  H24  single    0.970  0.020  1.090
 4Q0  C33  H25  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
 4Q0  H1   C2   C1   121.10  3.000
 4Q0  H1   C2   C3   118.89  3.000
 4Q0  C1   C2   C3   120.01  3.000
 4Q0  C4   C3   N    121.97  3.000
 4Q0  C4   C3   C2   119.12  3.000
 4Q0  N    C3   C2   118.91  3.000
 4Q0  H2   C5   C4   119.69  3.000
 4Q0  H2   C5   C    120.43  3.000
 4Q0  C4   C5   C    119.87  3.000
 4Q0  C16  C9   N7   120.02  3.000
 4Q0  N7   C9   C12  120.00  3.000
 4Q0  C16  C9   C12  119.98  3.000
 4Q0  H6   C11  H5   107.25  3.000
 4Q0  H6   C11  N19  108.48  3.000
 4Q0  H5   C11  N19  108.26  3.000
 4Q0  H6   C11  C10  111.03  3.000
 4Q0  H5   C11  C10  111.01  3.000
 4Q0  N19  C11  C10  110.68  3.000
 4Q0  H7   C12  C13  119.52  3.000
 4Q0  H7   C12  C9   120.01  3.000
 4Q0  C13  C12  C9   120.47  3.000
 4Q0  H8   C13  C14  121.67  3.000
 4Q0  H8   C13  C12  118.58  3.000
 4Q0  C14  C13  C12  119.75  3.000
 4Q0  H9   C15  C16  120.16  3.000
 4Q0  H9   C15  C14  119.55  3.000
 4Q0  C16  C15  C14  120.29  3.000
 4Q0  H12  C18  H11  108.79  3.000
 4Q0  H12  C18  H10  108.88  3.000
 4Q0  H11  C18  H10  108.93  3.000
 4Q0  H12  C18  O17  106.46  3.000
 4Q0  H11  C18  O17  111.93  3.000
 4Q0  H10  C18  O17  111.75  3.000
 4Q0  C23  N19  C20  112.08  3.000
 4Q0  C20  N19  C11  124.17  3.000
 4Q0  C23  N19  C11  123.69  3.000
 4Q0  O29  C20  C21  128.28  3.000
 4Q0  O29  C20  N19  125.67  3.000
 4Q0  C21  C20  N19  106.04  3.000
 4Q0  C24  C21  C22  122.77  3.000
 4Q0  C24  C21  C20  129.35  3.000
 4Q0  C22  C21  C20  107.88  3.000
 4Q0  C27  C22  C23  130.58  3.000
 4Q0  C23  C22  C21  108.06  3.000
 4Q0  C27  C22  C21  121.36  3.000
 4Q0  H13  C    C1   119.98  3.000
 4Q0  H13  C    C5   120.14  3.000
 4Q0  C1   C    C5   119.88  3.000
 4Q0  C6   N    C3   118.95  3.000
 4Q0  H14  C1   C    119.66  3.000
 4Q0  H14  C1   C2   119.64  3.000
 4Q0  C    C1   C2   120.70  3.000
 4Q0  C8   C4   C5   120.63  3.000
 4Q0  C5   C4   C3   120.42  3.000
 4Q0  C8   C4   C3   118.95  3.000
 4Q0  N7   C6   N    123.36  3.000
 4Q0  N7   C6   C10  117.23  3.000
 4Q0  N    C6   C10  119.42  3.000
 4Q0  C8   N7   C6   122.48  3.000
 4Q0  C8   N7   C9   116.99  3.000
 4Q0  C6   N7   C9   120.53  3.000
 4Q0  N7   C8   C4   114.29  3.000
 4Q0  C4   C8   O    124.96  3.000
 4Q0  N7   C8   O    120.75  3.000
 4Q0  O17  C14  C15  116.21  3.000
 4Q0  O17  C14  C13  124.31  3.000
 4Q0  C15  C14  C13  119.48  3.000
 4Q0  H15  C16  C15  119.83  3.000
 4Q0  H15  C16  C9   120.14  3.000
 4Q0  C15  C16  C9   120.03  3.000
 4Q0  C14  O17  C18  118.64  3.000
 4Q0  O28  C23  C22  129.89  3.000
 4Q0  C22  C23  N19  105.93  3.000
 4Q0  O28  C23  N19  124.19  3.000
 4Q0  H16  C24  C25  121.57  3.000
 4Q0  H16  C24  C21  122.21  3.000
 4Q0  C25  C24  C21  116.22  3.000
 4Q0  H17  C25  C26  118.32  3.000
 4Q0  H17  C25  C24  119.59  3.000
 4Q0  C26  C25  C24  122.09  3.000
 4Q0  H18  C26  C27  120.89  3.000
 4Q0  H18  C26  C25  117.97  3.000
 4Q0  C27  C26  C25  121.14  3.000
 4Q0  O30  C27  C26  125.70  3.000
 4Q0  C26  C27  C22  116.43  3.000
 4Q0  O30  C27  C22  117.87  3.000
 4Q0  C31  O30  C27  121.13  3.000
 4Q0  H19  C31  C33  108.64  3.000
 4Q0  H19  C31  C32  110.16  3.000
 4Q0  C33  C31  C32  112.19  3.000
 4Q0  H19  C31  O30  109.06  3.000
 4Q0  C33  C31  O30  105.99  3.000
 4Q0  C32  C31  O30  110.66  3.000
 4Q0  H22  C32  H21  108.20  3.000
 4Q0  H22  C32  H20  108.00  3.000
 4Q0  H21  C32  H20  107.46  3.000
 4Q0  H22  C32  C31  110.79  3.000
 4Q0  H21  C32  C31  112.72  3.000
 4Q0  H20  C32  C31  109.50  3.000
 4Q0  H25  C33  H24  107.96  3.000
 4Q0  H25  C33  H23  108.74  3.000
 4Q0  H24  C33  H23  107.84  3.000
 4Q0  H25  C33  C31  111.22  3.000
 4Q0  H24  C33  C31  109.57  3.000
 4Q0  H23  C33  C31  111.39  3.000
 4Q0  H4   C10  H3   105.85  3.000
 4Q0  H4   C10  C6   109.32  3.000
 4Q0  H3   C10  C6   109.38  3.000
 4Q0  H4   C10  C11  109.71  3.000
 4Q0  H3   C10  C11  109.96  3.000
 4Q0  C6   C10  C11  112.42  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
 4Q0  CONST_01  C5   C4   C3   C2      0.00   0.0  0
 4Q0  CONST_02  C5   C    C1   C2      0.00   0.0  0
 4Q0  CONST_03  C    C1   C2   C3      0.00   0.0  0
 4Q0  CONST_04  C    C5   C4   C3      0.00   0.0  0
 4Q0  CONST_05  C14  C15  C16  C9      0.00   0.0  0
 4Q0  CONST_06  C14  C13  C12  C9      0.00   0.0  0
 4Q0  CONST_07  C15  C16  C9   C12     0.00   0.0  0
 4Q0  CONST_08  C15  C14  C13  C12     0.00   0.0  0
 4Q0  CONST_09  C16  C15  C14  C13     0.00   0.0  0
 4Q0  CONST_10  C16  C9   C12  C13     0.00   0.0  0
 4Q0  CONST_11  C26  C27  C22  C21     0.00   0.0  0
 4Q0  CONST_12  C26  C25  C24  C21     0.00   0.0  0
 4Q0  CONST_13  C25  C26  C27  C22     0.00   0.0  0
 4Q0  CONST_14  C25  C24  C21  C22     0.00   0.0  0
 4Q0  CONST_15  C4   C3   C2   C1      0.00   0.0  0
 4Q0  CONST_16  C4   C5   C    C1      0.00   0.0  0
 4Q0  CONST_17  C27  C26  C25  C24     0.00   0.0  0
 4Q0  CONST_18  C27  C22  C21  C24     0.00   0.0  0
 4Q0  CONST_19  N7   C9   C12  C13   180.00   0.0  0
 4Q0  CONST_20  N7   C9   C16  C15   180.00   0.0  0
 4Q0  CONST_21  N7   C6   N    C3      0.00   0.0  0
 4Q0  CONST_22  N    C6   N7   C9    180.00   0.0  0
 4Q0  CONST_23  C4   C8   N7   C9    180.00   0.0  0
 4Q0  CONST_24  C23  N19  C20  C21     0.00   0.0  0
 4Q0  CONST_25  C8   N7   C6   N       0.00   0.0  0
 4Q0  CONST_26  C6   N7   C8   C4      0.00   0.0  0
 4Q0  CONST_27  O17  C14  C13  C12   180.00   0.0  0
 4Q0  CONST_28  O30  C27  C22  C21   180.00   0.0  0
 4Q0  CONST_29  O17  C14  C15  C16   180.00   0.0  0
 4Q0  CONST_30  O30  C27  C22  C23     0.00   0.0  0
 4Q0  CONST_31  O30  C27  C26  C25   180.00   0.0  0
 4Q0  CONST_32  C10  C6   N    C3    180.00   0.0  0
 4Q0  CONST_33  C10  C6   N7   C9      0.00   0.0  0
 4Q0  CONST_34  O    C8   N7   C9      0.00   0.0  0
 4Q0  CONST_35  C8   N7   C6   C10   180.00   0.0  0
 4Q0  CONST_36  C21  C20  N19  C11   180.00   0.0  0
 4Q0  CONST_37  C6   N7   C8   O     180.00   0.0  0
 4Q0  CONST_38  O29  C20  N19  C23   180.00   0.0  0
 4Q0  CONST_39  H13  C    C1   C2    180.00   0.0  0
 4Q0  CONST_40  H14  C1   C2   C3    180.00   0.0  0
 4Q0  CONST_41  H2   C5   C4   C3    180.00   0.0  0
 4Q0  CONST_42  H9   C15  C16  C9    180.00   0.0  0
 4Q0  CONST_43  H8   C13  C12  C9    180.00   0.0  0
 4Q0  CONST_44  H15  C16  C9   C12   180.00   0.0  0
 4Q0  CONST_45  H16  C24  C21  C20     0.00   0.0  0
 4Q0  CONST_46  H17  C25  C24  C21   180.00   0.0  0
 4Q0  CONST_47  H18  C26  C27  C22   180.00   0.0  0
 4Q0  CONST_48  H1   C2   C1   C     180.00   0.0  0
 4Q0  CONST_49  H7   C12  C9   N7      0.00   0.0  0
 4Q0  CONST_50  O29  C20  N19  C11     0.00   0.0  0
 4Q0  Var_01    C6   N7   C9   C12    87.91  30.0  3
 4Q0  Var_02    C23  N19  C11  C10   -86.21  30.0  1
 4Q0  Var_03    N    C6   C10  C11    -1.74  30.0  3
 4Q0  Var_04    C6   C10  C11  N19  -179.48  30.0  1
 4Q0  Var_05    C32  C31  O30  C27    80.27  30.0  2
 4Q0  Var_06    H10  C18  O17  C14   -60.64  30.0  3
 4Q0  Var_07    H20  C32  C31  O30   179.57  30.0  3
 4Q0  Var_08    H23  C33  C31  O30    59.08  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
 4Q0  plan-1  C9   0.020
 4Q0  plan-1  C12  0.020
 4Q0  plan-1  C13  0.020
 4Q0  plan-1  C15  0.020
 4Q0  plan-1  N7   0.020
 4Q0  plan-1  C14  0.020
 4Q0  plan-1  C16  0.020
 4Q0  plan-1  O17  0.020
 4Q0  plan-1  H7   0.020
 4Q0  plan-1  H8   0.020
 4Q0  plan-1  H9   0.020
 4Q0  plan-1  H15  0.020
 4Q0  plan-2  C11  0.020
 4Q0  plan-2  N19  0.020
 4Q0  plan-2  C20  0.020
 4Q0  plan-2  C21  0.020
 4Q0  plan-2  C22  0.020
 4Q0  plan-2  C23  0.020
 4Q0  plan-2  C24  0.020
 4Q0  plan-2  C25  0.020
 4Q0  plan-2  C26  0.020
 4Q0  plan-2  C27  0.020
 4Q0  plan-2  O28  0.020
 4Q0  plan-2  O29  0.020
 4Q0  plan-2  O30  0.020
 4Q0  plan-2  H16  0.020
 4Q0  plan-2  H17  0.020
 4Q0  plan-2  H18  0.020
 4Q0  plan-3  C2   0.020
 4Q0  plan-3  C3   0.020
 4Q0  plan-3  C5   0.020
 4Q0  plan-3  C9   0.020
 4Q0  plan-3  C    0.020
 4Q0  plan-3  N    0.020
 4Q0  plan-3  C1   0.020
 4Q0  plan-3  C4   0.020
 4Q0  plan-3  C6   0.020
 4Q0  plan-3  N7   0.020
 4Q0  plan-3  C8   0.020
 4Q0  plan-3  H1   0.020
 4Q0  plan-3  H2   0.020
 4Q0  plan-3  H13  0.020
 4Q0  plan-3  H14  0.020
 4Q0  plan-3  C10  0.020
 4Q0  plan-3  O    0.020

