# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Mar 12 06:53:59 2022
#   Inital geometry file: a 155 line input string
#   Ligand name: [1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]-[(3~{S})-3-methylpiperazin-1-yl]methanone
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@H]1CN(CCN1)C(=O)c2cn(c3ccnc(N)n3)c4cc(ccc24)C#CC5(O)CCCCC5
#
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
 GCC  GCC  '[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]-[(3~{S})-3-methylpiperazin-1-yl]methanone'  ligand  64  34  .  2022-03-18  2022-03-18
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_GCC
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
 GCC  C10  C  CR6   0   0.566  -12.2365  16.0919   -6.0495
 GCC  C17  C  CR56  0   0.357  -14.0598  17.5676   -6.9221
 GCC  C21  C  CSP   0   0.206  -18.7148  16.4231   -6.2002
 GCC  C22  C  CR6   0   0.006  -19.9562  15.7486   -5.8085
 GCC  C24  C  C     0  -0.438  -19.8221  14.2409   -6.0961
 GCC  C26  C  C     0  -0.423  -21.2655  13.6852   -4.1079
 GCC  C28  C  C     0  -0.440  -20.2085  15.9644   -4.3043
 GCC  C1   C  CH3   0  -0.670  -10.9709  23.0995  -12.1305
 GCC  C2   C  CH1   0  -0.083  -11.3511  21.7841  -11.4770
 GCC  C3   C  CH2   0  -0.285  -12.2632  22.0211  -10.2783
 GCC  C5   C  C     0   0.474  -12.1268  20.3368   -8.5303
 GCC  C7   C  CR5   0  -0.163  -12.6934  19.1159   -7.9119
 GCC  C8   C  CR15  0  -0.009  -11.9330  18.1614   -7.3179
 GCC  C11  C  CR16  0  -0.437  -10.9348  15.6370   -6.2571
 GCC  C12  C  CR16  0  -0.018  -10.5718  14.5378   -5.5014
 GCC  C14  C  CR6   0   0.571  -12.6065  14.4394   -4.5419
 GCC  C18  C  CR16  0  -0.324  -15.2424  16.9486   -6.5360
 GCC  C19  C  CR6   0  -0.153  -16.4432  17.5581   -6.8900
 GCC  C25  C  C     0  -0.464  -21.0278  13.4499   -5.5954
 GCC  C27  C  C     0  -0.464  -21.4132  15.1719   -3.8027
 GCC  C29  C  CR16  0  -0.301  -16.4536  18.7705   -7.6068
 GCC  C30  C  CR16  0  -0.350  -15.2769  19.3702   -7.9962
 GCC  C31  C  CR56  0   0.048  -14.0636  18.7626   -7.6679
 GCC  C32  C  CH2   0  -0.322  -13.3476  19.8899  -10.6417
 GCC  C33  C  CH2   0  -0.281  -12.4325  19.6639  -11.8358
 GCC  N4   N  NT    0  -0.466  -12.6926  20.7672   -9.6827
 GCC  N9   N  NR5   0  -0.658  -12.7289  17.2070   -6.7290
 GCC  N13  N  N     0  -0.459  -11.3758  13.9275   -4.6464
 GCC  N15  N  NH2   0  -0.819  -13.4518  13.8570   -3.6787
 GCC  N16  N  N     0  -0.502  -13.0607  15.5068   -5.2082
 GCC  N34  N  NH1   0  -0.600  -12.0622  20.9369  -12.4229
 GCC  O6   O  O     0  -0.474  -11.2146  20.9317   -7.9704
 GCC  O23  O  OH1   0  -0.672  -20.9773  16.3394   -6.5933
 GCC  H1   H  H     0   0.244  -19.6730  14.0908   -7.1678
 GCC  H2   H  H     0   0.229  -18.9218  13.8753   -5.5944
 GCC  H3   H  H     0   0.233  -22.1516  13.1403   -3.7755
 GCC  H4   H  H     0   0.215  -20.4191  13.2841   -3.5404
 GCC  H5   H  H     0   0.230  -19.3172  15.6455   -3.7569
 GCC  H6   H  H     0   0.244  -20.3360  17.0318   -4.1106
 GCC  H7   H  HCH3  0   0.230  -10.4312  23.7389  -11.4314
 GCC  H8   H  HCH3  0   0.235  -10.3239  22.9338  -12.9937
 GCC  H9   H  HCH3  0   0.223  -11.8579  23.6360  -12.4712
 GCC  H10  H  HCH1  0   0.204  -10.4352  21.2938  -11.1047
 GCC  H11  H  HCH2  0   0.258  -11.7639  22.6316   -9.5303
 GCC  H12  H  HCH2  0   0.241  -13.1569  22.5587  -10.6126
 GCC  H13  H  HCR5  0   0.314  -10.8584  18.1056   -7.2600
 GCC  H14  H  HCR6  0   0.283  -10.2485  16.0735   -6.9649
 GCC  H15  H  HCR6  0   0.275   -9.5744  14.1242   -5.6041
 GCC  H16  H  HCR6  0   0.283  -15.2447  16.0300   -5.9727
 GCC  H17  H  H     0   0.217  -21.9259  13.7221   -6.1606
 GCC  H18  H  H     0   0.243  -20.8650  12.3885   -5.7930
 GCC  H19  H  H     0   0.243  -21.5221  15.3316   -2.7280
 GCC  H20  H  H     0   0.218  -22.3369  15.5526   -4.2526
 GCC  H21  H  HCR6  0   0.256  -17.4016  19.2290   -7.8538
 GCC  H22  H  HCR6  0   0.257  -15.2968  20.3009   -8.5479
 GCC  H23  H  HCH2  0   0.244  -14.2813  20.3545  -10.9690
 GCC  H24  H  HCH2  0   0.273  -13.5926  18.9342  -10.1865
 GCC  H25  H  HCH2  0   0.242  -12.9609  19.0634  -12.5786
 GCC  H26  H  HCH2  0   0.198  -11.5632  19.0777  -11.4975
 GCC  H27  H  HNH2  0   0.402  -14.4190  14.1292   -3.6653
 GCC  H28  H  HNH2  0   0.401  -13.2007  12.9830   -3.2510
 GCC  H29  H  HNH1  0   0.352  -11.4804  20.7781  -13.2363
 GCC  H31  H  HOH1  0   0.449  -21.8193  15.9303   -6.3671
 GCC  C20  C  CSP   0   0.108  -17.6749  16.9455   -6.5139

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
 GCC  N34  C33  single    1.450  0.020  1.450
 GCC  N34  C2   single    1.455  0.020  1.455
 GCC  C1   C2   single    1.517  0.020  1.517
 GCC  C33  C32  single    1.521  0.020  1.521
 GCC  C2   C3   single    1.525  0.020  1.525
 GCC  C32  N4   single    1.455  0.020  1.455
 GCC  C3   N4   single    1.453  0.020  1.453
 GCC  N4   C5   single    1.354  0.020  1.354
 GCC  C5   O6   double    1.225  0.020  1.225
 GCC  C5   C7   single    1.481  0.020  1.481
 GCC  C30  C29  aromatic  1.377  0.020  1.377
 GCC  C30  C31  aromatic  1.396  0.020  1.396
 GCC  C7   C31  aromatic  1.436  0.020  1.436
 GCC  C7   C8   aromatic  1.357  0.020  1.357
 GCC  C29  C19  aromatic  1.408  0.020  1.408
 GCC  C31  C17  aromatic  1.409  0.020  1.409
 GCC  C8   N9   aromatic  1.375  0.020  1.375
 GCC  C19  C20  single    1.426  0.020  1.426
 GCC  C19  C18  aromatic  1.392  0.020  1.392
 GCC  C17  N9   aromatic  1.392  0.020  1.392
 GCC  C17  C18  aromatic  1.390  0.020  1.390
 GCC  O23  C22  single    1.417  0.020  1.417
 GCC  C20  C21  triple    1.205  0.020  1.205
 GCC  N9   C10  single    1.396  0.020  1.396
 GCC  C21  C22  single    1.466  0.020  1.466
 GCC  C24  C22  single    1.541  0.020  1.541
 GCC  C24  C25  single    1.526  0.020  1.526
 GCC  C11  C10  aromatic  1.394  0.020  1.394
 GCC  C11  C12  aromatic  1.382  0.020  1.382
 GCC  C10  N16  aromatic  1.315  0.020  1.315
 GCC  C22  C28  single    1.540  0.020  1.540
 GCC  C25  C26  single    1.525  0.020  1.525
 GCC  C12  N13  aromatic  1.323  0.020  1.323
 GCC  N16  C14  aromatic  1.338  0.020  1.338
 GCC  N13  C14  aromatic  1.337  0.020  1.337
 GCC  C14  N15  single    1.341  0.020  1.341
 GCC  C28  C27  single    1.527  0.020  1.527
 GCC  C26  C27  single    1.525  0.020  1.525
 GCC  C24  H1   single    0.970  0.020  1.090
 GCC  C24  H2   single    0.970  0.020  1.090
 GCC  C26  H3   single    0.970  0.020  1.090
 GCC  C26  H4   single    0.970  0.020  1.090
 GCC  C28  H5   single    0.970  0.020  1.090
 GCC  C28  H6   single    0.970  0.020  1.090
 GCC  C1   H7   single    0.970  0.020  1.090
 GCC  C1   H8   single    0.970  0.020  1.090
 GCC  C1   H9   single    0.970  0.020  1.090
 GCC  C2   H10  single    0.970  0.020  1.090
 GCC  C3   H11  single    0.970  0.020  1.090
 GCC  C3   H12  single    0.970  0.020  1.090
 GCC  C8   H13  single    0.930  0.020  1.080
 GCC  C11  H14  single    0.930  0.020  1.080
 GCC  C12  H15  single    0.930  0.020  1.080
 GCC  C18  H16  single    0.930  0.020  1.080
 GCC  C25  H17  single    0.970  0.020  1.090
 GCC  C25  H18  single    0.970  0.020  1.090
 GCC  C27  H19  single    0.970  0.020  1.090
 GCC  C27  H20  single    0.970  0.020  1.090
 GCC  C29  H21  single    0.930  0.020  1.080
 GCC  C30  H22  single    0.930  0.020  1.080
 GCC  C32  H23  single    0.970  0.020  1.090
 GCC  C32  H24  single    0.970  0.020  1.090
 GCC  C33  H25  single    0.970  0.020  1.090
 GCC  C33  H26  single    0.970  0.020  1.090
 GCC  N15  H27  single    0.860  0.020  1.020
 GCC  N15  H28  single    0.860  0.020  1.020
 GCC  N34  H29  single    0.890  0.020  1.040
 GCC  O23  H31  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
 GCC  N16  C10  N9   116.47  3.000
 GCC  N16  C10  C11  122.36  3.000
 GCC  N9   C10  C11  121.17  3.000
 GCC  N9   C17  C31  107.20  3.000
 GCC  N9   C17  C18  131.27  3.000
 GCC  C31  C17  C18  121.52  3.000
 GCC  C22  C21  C20  180.00  3.000
 GCC  O23  C22  C28  111.37  3.000
 GCC  C28  C22  C24  109.49  3.000
 GCC  O23  C22  C24  111.55  3.000
 GCC  C28  C22  C21  109.57  3.000
 GCC  C24  C22  C21  109.07  3.000
 GCC  O23  C22  C21  105.69  3.000
 GCC  H2   C24  H1   106.97  3.000
 GCC  H2   C24  C25  109.06  3.000
 GCC  H1   C24  C25  111.00  3.000
 GCC  H2   C24  C22  108.25  3.000
 GCC  H1   C24  C22  109.23  3.000
 GCC  C25  C24  C22  112.15  3.000
 GCC  H4   C26  H3   106.66  3.000
 GCC  H4   C26  C27  109.16  3.000
 GCC  H3   C26  C27  110.30  3.000
 GCC  H4   C26  C25  109.18  3.000
 GCC  H3   C26  C25  110.27  3.000
 GCC  C27  C26  C25  111.15  3.000
 GCC  H6   C28  H5   106.94  3.000
 GCC  H6   C28  C27  110.91  3.000
 GCC  H5   C28  C27  109.10  3.000
 GCC  H6   C28  C22  109.22  3.000
 GCC  H5   C28  C22  108.33  3.000
 GCC  C27  C28  C22  112.17  3.000
 GCC  H9   C1   H8   108.04  3.000
 GCC  H9   C1   H7   108.31  3.000
 GCC  H8   C1   H7   107.63  3.000
 GCC  H9   C1   C2   110.92  3.000
 GCC  H8   C1   C2   110.95  3.000
 GCC  H7   C1   C2   110.87  3.000
 GCC  H10  C2   N34  111.48  3.000
 GCC  H10  C2   C3   107.47  3.000
 GCC  N34  C2   C3   108.01  3.000
 GCC  H10  C2   C1   108.81  3.000
 GCC  C3   C2   C1   110.72  3.000
 GCC  N34  C2   C1   110.32  3.000
 GCC  H12  C3   H11  108.01  3.000
 GCC  H12  C3   N4   107.92  3.000
 GCC  H11  C3   N4   109.78  3.000
 GCC  H12  C3   C2   108.93  3.000
 GCC  H11  C3   C2   110.70  3.000
 GCC  N4   C3   C2   111.40  3.000
 GCC  O6   C5   N4   123.09  3.000
 GCC  O6   C5   C7   119.64  3.000
 GCC  N4   C5   C7   117.23  3.000
 GCC  C31  C7   C8   106.69  3.000
 GCC  C8   C7   C5   123.24  3.000
 GCC  C31  C7   C5   129.70  3.000
 GCC  H13  C8   N9   121.21  3.000
 GCC  H13  C8   C7   128.21  3.000
 GCC  N9   C8   C7   110.56  3.000
 GCC  H14  C11  C12  120.90  3.000
 GCC  H14  C11  C10  124.04  3.000
 GCC  C12  C11  C10  115.04  3.000
 GCC  H15  C12  N13  116.37  3.000
 GCC  H15  C12  C11  119.53  3.000
 GCC  N13  C12  C11  124.09  3.000
 GCC  N16  C14  N15  116.93  3.000
 GCC  N15  C14  N13  117.66  3.000
 GCC  N16  C14  N13  125.39  3.000
 GCC  H16  C18  C19  120.28  3.000
 GCC  H16  C18  C17  121.79  3.000
 GCC  C19  C18  C17  117.93  3.000
 GCC  C29  C19  C18  120.83  3.000
 GCC  C18  C19  C20  119.33  3.000
 GCC  C29  C19  C20  119.84  3.000
 GCC  H18  C25  H17  105.69  3.000
 GCC  H18  C25  C26  110.48  3.000
 GCC  H17  C25  C26  109.70  3.000
 GCC  H18  C25  C24  109.06  3.000
 GCC  H17  C25  C24  110.46  3.000
 GCC  C26  C25  C24  111.30  3.000
 GCC  H20  C27  H19  105.63  3.000
 GCC  H20  C27  C28  110.48  3.000
 GCC  H19  C27  C28  109.03  3.000
 GCC  H20  C27  C26  109.77  3.000
 GCC  H19  C27  C26  110.44  3.000
 GCC  C28  C27  C26  111.34  3.000
 GCC  H21  C29  C30  119.99  3.000
 GCC  H21  C29  C19  119.18  3.000
 GCC  C30  C29  C19  120.83  3.000
 GCC  H22  C30  C31  120.67  3.000
 GCC  H22  C30  C29  120.20  3.000
 GCC  C31  C30  C29  119.12  3.000
 GCC  C30  C31  C7   133.02  3.000
 GCC  C7   C31  C17  107.23  3.000
 GCC  C30  C31  C17  119.74  3.000
 GCC  H24  C32  H23  107.87  3.000
 GCC  H24  C32  N4   110.83  3.000
 GCC  H23  C32  N4   109.00  3.000
 GCC  H24  C32  C33  109.50  3.000
 GCC  H23  C32  C33  109.99  3.000
 GCC  N4   C32  C33  109.63  3.000
 GCC  H26  C33  H25  107.35  3.000
 GCC  H26  C33  N34  112.96  3.000
 GCC  H25  C33  N34  109.34  3.000
 GCC  H26  C33  C32  108.22  3.000
 GCC  H25  C33  C32  108.94  3.000
 GCC  N34  C33  C32  109.94  3.000
 GCC  C32  N4   C5   123.87  3.000
 GCC  C5   N4   C3   119.98  3.000
 GCC  C32  N4   C3   112.52  3.000
 GCC  C8   N9   C17  108.31  3.000
 GCC  C17  N9   C10  127.72  3.000
 GCC  C8   N9   C10  123.97  3.000
 GCC  C14  N13  C12  115.68  3.000
 GCC  H28  N15  H27  118.07  3.000
 GCC  H28  N15  C14  119.61  3.000
 GCC  H27  N15  C14  119.84  3.000
 GCC  C14  N16  C10  117.44  3.000
 GCC  H29  N34  C33  109.53  3.000
 GCC  H29  N34  C2   109.43  3.000
 GCC  C33  N34  C2   111.88  3.000
 GCC  H31  O23  C22  108.84  3.000
 GCC  C19  C20  C21  180.00  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
 GCC  CONST_01  C7   C8   N9   C10  180.00   0.0  0
 GCC  CONST_02  C31  C17  N9   C10  180.00   0.0  0
 GCC  CONST_03  C18  C17  N9   C10    0.00   0.0  0
 GCC  CONST_04  N13  C12  C11  C10    0.00   0.0  0
 GCC  CONST_05  N13  C14  N16  C10    0.00   0.0  0
 GCC  CONST_06  C29  C30  C31  C17    0.00   0.0  0
 GCC  CONST_07  C8   C7   C31  C17    0.00   0.0  0
 GCC  CONST_08  C7   C8   N9   C17    0.00   0.0  0
 GCC  CONST_11  C29  C19  C18  C17    0.00   0.0  0
 GCC  CONST_12  C29  C30  C31  C7   180.00   0.0  0
 GCC  CONST_13  N9   C17  C31  C7     0.00   0.0  0
 GCC  CONST_14  C18  C17  C31  C7   180.00   0.0  0
 GCC  CONST_15  C30  C31  C7   C8   180.00   0.0  0
 GCC  CONST_16  C31  C17  N9   C8     0.00   0.0  0
 GCC  CONST_17  C18  C17  N9   C8   180.00   0.0  0
 GCC  CONST_20  C14  N16  C10  C11    0.00   0.0  0
 GCC  CONST_21  C14  N13  C12  C11    0.00   0.0  0
 GCC  CONST_22  N9   C10  C11  C12  180.00   0.0  0
 GCC  CONST_23  N16  C10  C11  C12    0.00   0.0  0
 GCC  CONST_24  N16  C14  N13  C12    0.00   0.0  0
 GCC  CONST_25  N9   C10  N16  C14  180.00   0.0  0
 GCC  CONST_26  C30  C29  C19  C18    0.00   0.0  0
 GCC  CONST_27  C30  C31  C17  C18    0.00   0.0  0
 GCC  CONST_28  C31  C30  C29  C19    0.00   0.0  0
 GCC  CONST_29  C31  C17  C18  C19    0.00   0.0  0
 GCC  CONST_30  N9   C17  C18  C19  180.00   0.0  0
 GCC  CONST_31  N9   C17  C31  C30  180.00   0.0  0
 GCC  CONST_32  N9   C8   C7   C31    0.00   0.0  0
 GCC  CONST_33  N15  C14  N16  C10  180.00   0.0  0
 GCC  CONST_34  C5   C7   C31  C17  180.00   0.0  0
 GCC  CONST_35  C20  C19  C18  C17  180.00   0.0  0
 GCC  CONST_36  C30  C29  C19  C20  180.00   0.0  0
 GCC  CONST_37  C30  C31  C7   C5     0.00   0.0  0
 GCC  CONST_38  N9   C8   C7   C5   180.00   0.0  0
 GCC  CONST_39  N15  C14  N13  C12  180.00   0.0  0
 GCC  CONST_40  C7   C5   N4   C3   180.00   0.0  0
 GCC  CONST_42  H13  C8   N9   C10    0.00   0.0  0
 GCC  CONST_43  H15  C12  C11  C10  180.00   0.0  0
 GCC  CONST_44  H22  C30  C31  C17  180.00   0.0  0
 GCC  CONST_45  H21  C29  C19  C18  180.00   0.0  0
 GCC  CONST_46  H16  C18  C19  C29  180.00   0.0  0
 GCC  CONST_47  H14  C11  C10  N9     0.00   0.0  0
 GCC  CONST_48  O6   C5   N4   C3     0.00   0.0  0
 GCC  CONST_50  H27  N15  C14  N13  180.00   0.0  0
 GCC  CONST_51  H28  N15  C14  N13    0.00   0.0  0
 GCC  Var_01    C26  C25  C24  C22  -55.91  30.0  1
 GCC  Var_02    C26  C27  C28  C22   55.77  30.0  1
 GCC  Var_03    C27  C26  C25  C24   55.35  30.0  1
 GCC  Var_04    C25  C26  C27  C28  -55.28  30.0  1
 GCC  Var_05    C32  C33  N34  C2    60.49  30.0  1
 GCC  Var_06    C32  N4   C3   C2   -55.90  30.0  1
 GCC  Var_07    C33  C32  N4   C3    54.93  30.0  1
 GCC  Var_08    N34  C33  C32  N4   -56.25  30.0  1
 GCC  Var_09    N4   C5   C7   C8   141.17  30.0  2

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
 GCC  chir_01  C22  C21  C24  C28  negativ
 GCC  chir_02  C2   N34  C1   C3   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
 GCC  plan-1  C10  0.020
 GCC  plan-1  C11  0.020
 GCC  plan-1  C12  0.020
 GCC  plan-1  C14  0.020
 GCC  plan-1  N9   0.020
 GCC  plan-1  N13  0.020
 GCC  plan-1  N15  0.020
 GCC  plan-1  N16  0.020
 GCC  plan-1  H14  0.020
 GCC  plan-1  H15  0.020
 GCC  plan-2  C14  0.020
 GCC  plan-2  N15  0.020
 GCC  plan-2  H27  0.020
 GCC  plan-2  H28  0.020
 GCC  plan-3  C3   0.020
 GCC  plan-3  C5   0.020
 GCC  plan-3  C7   0.020
 GCC  plan-3  C32  0.020
 GCC  plan-3  N4   0.020
 GCC  plan-3  O6   0.020
 GCC  plan-4  C10  0.020
 GCC  plan-4  C17  0.020
 GCC  plan-4  C21  0.020
 GCC  plan-4  C5   0.020
 GCC  plan-4  C7   0.020
 GCC  plan-4  C8   0.020
 GCC  plan-4  C18  0.020
 GCC  plan-4  C19  0.020
 GCC  plan-4  C29  0.020
 GCC  plan-4  C30  0.020
 GCC  plan-4  C31  0.020
 GCC  plan-4  N9   0.020
 GCC  plan-4  H13  0.020
 GCC  plan-4  H16  0.020
 GCC  plan-4  H21  0.020
 GCC  plan-4  H22  0.020
 GCC  plan-4  C20  0.020

