# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Mar 12 17:51:59 2022
#   Inital geometry file: a 155 line input string
#   Ligand name: [(3~{R})-3-azanylpiperidin-1-yl]-[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]methanone
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: N[C@@H]1CCCN(C1)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
 GC6  GC6  '[(3~{R})-3-azanylpiperidin-1-yl]-[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-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 PERFECT
;

data_comp_GC6
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
 GC6  C10  C  C     0   0.484  -33.3732  14.6499  -12.0330
 GC6  N12  N  NT    0  -0.459  -34.0954  14.4872  -10.9041
 GC6  C13  C  CH2   0  -0.315  -34.4339  13.2169  -10.2802
 GC6  C15  C  CH2   0  -0.449  -36.4016  14.3095   -9.2022
 GC6  C20  C  CR16  0  -0.344  -30.5942  13.6375  -13.3746
 GC6  C21  C  CR16  0  -0.305  -29.5619  13.0147  -14.0401
 GC6  C22  C  CR6   0  -0.150  -29.7924  11.8727  -14.8335
 GC6  C24  C  CSP   0   0.176  -27.7737  10.6479  -15.9958
 GC6  C28  C  CH2   0  -0.436  -26.0018   8.6531  -18.7264
 GC6  C2   C  CR6   0   0.567  -35.9769   9.3498  -14.9625
 GC6  C4   C  CR16  0  -0.015  -34.6118   9.3067  -16.7555
 GC6  C5   C  CR16  0  -0.428  -33.8054  10.2949  -16.2153
 GC6  C6   C  CR6   0   0.543  -34.1847  10.7361  -14.9529
 GC6  C8   C  CR15  0  -0.002  -34.0629  12.5927  -13.3797
 GC6  C9   C  CR5   0  -0.193  -33.1428  13.4692  -12.8971
 GC6  C14  C  CH2   0  -0.438  -35.9317  13.1245  -10.0391
 GC6  C16  C  CH1   0  -0.089  -35.9680  15.6408   -9.8163
 GC6  C18  C  CH2   0  -0.295  -34.4658  15.6381  -10.0985
 GC6  C19  C  CR56  0   0.071  -31.8889  13.1313  -13.5071
 GC6  C23  C  CSP   0   0.101  -28.6988  11.2168  -15.4711
 GC6  C25  C  CT    0   0.019  -26.6635   9.9147  -16.6256
 GC6  C27  C  CH2   0  -0.455  -27.1358   9.3378  -17.9708
 GC6  C29  C  CH2   0  -0.430  -24.8278   9.6027  -18.9365
 GC6  C30  C  CH2   0  -0.440  -24.3396  10.1772  -17.6113
 GC6  C31  C  CH2   0  -0.431  -25.4744  10.8573  -16.8512
 GC6  C32  C  CR16  0  -0.340  -31.0791  11.3634  -14.9858
 GC6  C33  C  CR56  0   0.371  -32.1184  12.0174  -14.3372
 GC6  N3   N  N     0  -0.457  -35.6819   8.8175  -16.1560
 GC6  N7   N  NR5   0  -0.654  -33.4720  11.7222  -14.2653
 GC6  N17  N  NH2   0  -0.789  -36.2789  16.8113   -9.0115
 GC6  N34  N  N     0  -0.494  -35.2542  10.2811  -14.3323
 GC6  O11  O  O     0  -0.487  -32.9086  15.7312  -12.3779
 GC6  O26  O  OH1   0  -0.658  -26.2120   8.8946  -15.7560
 GC6  H1   H  HCH2  0   0.272  -34.0735  12.3889  -10.8824
 GC6  H2   H  HCH2  0   0.243  -33.9078  13.1617   -9.3196
 GC6  H3   H  HCH2  0   0.236  -37.4881  14.2929   -9.0836
 GC6  H4   H  HCH2  0   0.213  -35.9727  14.2324   -8.1957
 GC6  H5   H  HCR6  0   0.253  -30.4007  14.4999  -12.7515
 GC6  H6   H  HCR6  0   0.256  -28.5527  13.3927  -13.9456
 GC6  H7   H  HCH2  0   0.232  -26.3776   8.2955  -19.6876
 GC6  H8   H  HCH2  0   0.217  -25.6692   7.7684  -18.1770
 GC6  H9   H  HCR6  0   0.277  -34.3786   8.9005  -17.7338
 GC6  H10  H  HCR6  0   0.288  -32.9771  10.7032  -16.7706
 GC6  H11  H  HCR5  0   0.315  -35.1226  12.5339  -13.1908
 GC6  H12  H  HCH2  0   0.229  -36.4566  13.1044  -10.9990
 GC6  H13  H  HCH2  0   0.240  -36.1575  12.1839   -9.5328
 GC6  H14  H  HCH1  0   0.225  -36.4775  15.7605  -10.7792
 GC6  H15  H  HCH2  0   0.230  -33.9119  15.6059   -9.1506
 GC6  H16  H  HCH2  0   0.264  -34.1820  16.5528  -10.6112
 GC6  H17  H  HCH2  0   0.231  -27.5362  10.1562  -18.5758
 GC6  H18  H  HCH2  0   0.242  -27.9631   8.6429  -17.7976
 GC6  H19  H  HCH2  0   0.211  -25.1431  10.4236  -19.5899
 GC6  H20  H  HCH2  0   0.230  -24.0123   9.0894  -19.4507
 GC6  H21  H  HCH2  0   0.220  -23.9046   9.3818  -17.0012
 GC6  H22  H  HCH2  0   0.231  -23.5429  10.9043  -17.7840
 GC6  H23  H  HCH2  0   0.241  -25.1261  11.2358  -15.8871
 GC6  H24  H  HCH2  0   0.232  -25.8274  11.7216  -17.4203
 GC6  H25  H  HCR6  0   0.280  -31.2317  10.4714  -15.5752
 GC6  H26  H  HNH2  0   0.402  -37.6033   8.1461  -14.7295
 GC6  H27  H  HNH2  0   0.402  -37.2909   9.2142  -13.4109
 GC6  H28  H  HNH2  0   0.347  -37.2819  16.8755   -8.8865
 GC6  H29  H  HNH2  0   0.337  -35.8972  16.6881   -8.0797
 GC6  H31  H  HOH1  0   0.448  -26.9020   8.2257  -15.6796
 GC6  N1   N  NH2   0  -0.818  -37.0908   8.9234  -14.3516

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
 GC6  C30  C29  single    1.525  0.020  1.525
 GC6  C30  C31  single    1.526  0.020  1.526
 GC6  C29  C28  single    1.525  0.020  1.525
 GC6  C31  C25  single    1.534  0.020  1.534
 GC6  C4   N3   aromatic  1.321  0.020  1.321
 GC6  C4   C5   aromatic  1.385  0.020  1.385
 GC6  C28  C27  single    1.525  0.020  1.525
 GC6  N3   C2   aromatic  1.340  0.020  1.340
 GC6  C25  C27  single    1.538  0.020  1.538
 GC6  C25  C24  single    1.472  0.020  1.472
 GC6  C25  O26  single    1.414  0.020  1.414
 GC6  C5   C6   aromatic  1.390  0.020  1.390
 GC6  C2   N1   single    1.340  0.020  1.340
 GC6  C2   N34  aromatic  1.337  0.020  1.337
 GC6  C24  C23  triple    1.206  0.020  1.206
 GC6  C6   N34  aromatic  1.318  0.020  1.318
 GC6  C6   N7   single    1.398  0.020  1.398
 GC6  C23  C22  single    1.426  0.020  1.426
 GC6  C32  C22  aromatic  1.392  0.020  1.392
 GC6  C32  C33  aromatic  1.389  0.020  1.389
 GC6  C22  C21  aromatic  1.410  0.020  1.410
 GC6  N7   C33  aromatic  1.387  0.020  1.387
 GC6  N7   C8   aromatic  1.375  0.020  1.375
 GC6  C33  C19  aromatic  1.408  0.020  1.408
 GC6  C8   C9   aromatic  1.359  0.020  1.359
 GC6  C21  C20  aromatic  1.377  0.020  1.377
 GC6  C19  C20  aromatic  1.396  0.020  1.396
 GC6  C19  C9   aromatic  1.435  0.020  1.435
 GC6  C9   C10  single    1.481  0.020  1.481
 GC6  O11  C10  double    1.226  0.020  1.226
 GC6  C10  N12  single    1.350  0.020  1.350
 GC6  N12  C13  single    1.455  0.020  1.455
 GC6  N12  C18  single    1.453  0.020  1.453
 GC6  C13  C14  single    1.520  0.020  1.520
 GC6  C18  C16  single    1.529  0.020  1.529
 GC6  C14  C15  single    1.525  0.020  1.525
 GC6  C16  C15  single    1.529  0.020  1.529
 GC6  C16  N17  single    1.454  0.020  1.454
 GC6  C13  H1   single    0.970  0.020  1.090
 GC6  C13  H2   single    0.970  0.020  1.090
 GC6  C15  H3   single    0.970  0.020  1.090
 GC6  C15  H4   single    0.970  0.020  1.090
 GC6  C20  H5   single    0.930  0.020  1.080
 GC6  C21  H6   single    0.930  0.020  1.080
 GC6  C28  H7   single    0.970  0.020  1.090
 GC6  C28  H8   single    0.970  0.020  1.090
 GC6  C4   H9   single    0.930  0.020  1.080
 GC6  C5   H10  single    0.930  0.020  1.080
 GC6  C8   H11  single    0.930  0.020  1.080
 GC6  C14  H12  single    0.970  0.020  1.090
 GC6  C14  H13  single    0.970  0.020  1.090
 GC6  C16  H14  single    0.970  0.020  1.090
 GC6  C18  H15  single    0.970  0.020  1.090
 GC6  C18  H16  single    0.970  0.020  1.090
 GC6  C27  H17  single    0.970  0.020  1.090
 GC6  C27  H18  single    0.970  0.020  1.090
 GC6  C29  H19  single    0.970  0.020  1.090
 GC6  C29  H20  single    0.970  0.020  1.090
 GC6  C30  H21  single    0.970  0.020  1.090
 GC6  C30  H22  single    0.970  0.020  1.090
 GC6  C31  H23  single    0.970  0.020  1.090
 GC6  C31  H24  single    0.970  0.020  1.090
 GC6  C32  H25  single    0.930  0.020  1.080
 GC6  N1   H26  single    0.860  0.020  1.020
 GC6  N1   H27  single    0.860  0.020  1.020
 GC6  N17  H28  single    0.890  0.020  1.040
 GC6  N17  H29  single    0.890  0.020  1.040
 GC6  O26  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
 GC6  O11  C10  C9   118.68  3.000
 GC6  O11  C10  N12  122.96  3.000
 GC6  C9   C10  N12  118.36  3.000
 GC6  C18  N12  C13  113.23  3.000
 GC6  C18  N12  C10  120.31  3.000
 GC6  C13  N12  C10  126.03  3.000
 GC6  H2   C13  H1   106.75  3.000
 GC6  H2   C13  C14  109.32  3.000
 GC6  H1   C13  C14  111.64  3.000
 GC6  H2   C13  N12  107.93  3.000
 GC6  H1   C13  N12  110.54  3.000
 GC6  C14  C13  N12  110.51  3.000
 GC6  H4   C15  H3   106.75  3.000
 GC6  H4   C15  C16  108.59  3.000
 GC6  H3   C15  C16  109.80  3.000
 GC6  H4   C15  C14  109.18  3.000
 GC6  H3   C15  C14  110.74  3.000
 GC6  C16  C15  C14  111.64  3.000
 GC6  H5   C20  C19  120.65  3.000
 GC6  H5   C20  C21  120.33  3.000
 GC6  C19  C20  C21  119.03  3.000
 GC6  H6   C21  C22  119.01  3.000
 GC6  H6   C21  C20  119.94  3.000
 GC6  C22  C21  C20  121.05  3.000
 GC6  C32  C22  C23  119.46  3.000
 GC6  C32  C22  C21  120.61  3.000
 GC6  C23  C22  C21  119.93  3.000
 GC6  C25  C24  C23  180.00  3.000
 GC6  H8   C28  H7   106.38  3.000
 GC6  H8   C28  C29  109.82  3.000
 GC6  H7   C28  C29  110.34  3.000
 GC6  H8   C28  C27  109.91  3.000
 GC6  H7   C28  C27  109.10  3.000
 GC6  C29  C28  C27  111.17  3.000
 GC6  N34  C2   N3   125.30  3.000
 GC6  N34  C2   N1   117.14  3.000
 GC6  N3   C2   N1   117.56  3.000
 GC6  H9   C4   N3   116.42  3.000
 GC6  H9   C4   C5   119.59  3.000
 GC6  N3   C4   C5   123.99  3.000
 GC6  H10  C5   C6   123.88  3.000
 GC6  H10  C5   C4   121.12  3.000
 GC6  C6   C5   C4   114.95  3.000
 GC6  N34  C6   N7   115.20  3.000
 GC6  N7   C6   C5   122.12  3.000
 GC6  N34  C6   C5   122.66  3.000
 GC6  H11  C8   N7   120.04  3.000
 GC6  H11  C8   C9   129.67  3.000
 GC6  N7   C8   C9   110.24  3.000
 GC6  C19  C9   C8   106.78  3.000
 GC6  C19  C9   C10  124.87  3.000
 GC6  C8   C9   C10  128.01  3.000
 GC6  H13  C14  H12  106.97  3.000
 GC6  H13  C14  C15  110.56  3.000
 GC6  H12  C14  C15  110.36  3.000
 GC6  H13  C14  C13  109.25  3.000
 GC6  H12  C14  C13  109.55  3.000
 GC6  C15  C14  C13  110.09  3.000
 GC6  H14  C16  N17  107.39  3.000
 GC6  H14  C16  C18  107.15  3.000
 GC6  N17  C16  C18  108.29  3.000
 GC6  H14  C16  C15  108.43  3.000
 GC6  N17  C16  C15  114.71  3.000
 GC6  C18  C16  C15  110.57  3.000
 GC6  H16  C18  H15  107.47  3.000
 GC6  H16  C18  C16  110.02  3.000
 GC6  H15  C18  C16  109.66  3.000
 GC6  H16  C18  N12  109.80  3.000
 GC6  H15  C18  N12  109.07  3.000
 GC6  C16  C18  N12  110.75  3.000
 GC6  C33  C19  C9   107.13  3.000
 GC6  C9   C19  C20  133.20  3.000
 GC6  C33  C19  C20  119.60  3.000
 GC6  C24  C23  C22  180.00  3.000
 GC6  O26  C25  C31  106.63  3.000
 GC6  O26  C25  C27  111.43  3.000
 GC6  C31  C25  C27  109.87  3.000
 GC6  O26  C25  C24  109.69  3.000
 GC6  C27  C25  C24  109.23  3.000
 GC6  C31  C25  C24  109.96  3.000
 GC6  H18  C27  H17  106.62  3.000
 GC6  H18  C27  C25  109.39  3.000
 GC6  H17  C27  C25  108.40  3.000
 GC6  H18  C27  C28  110.82  3.000
 GC6  H17  C27  C28  109.52  3.000
 GC6  C25  C27  C28  111.93  3.000
 GC6  H20  C29  H19  106.63  3.000
 GC6  H20  C29  C30  110.32  3.000
 GC6  H19  C29  C30  109.16  3.000
 GC6  H20  C29  C28  110.31  3.000
 GC6  H19  C29  C28  109.10  3.000
 GC6  C30  C29  C28  111.20  3.000
 GC6  H22  C30  H21  106.41  3.000
 GC6  H22  C30  C31  108.93  3.000
 GC6  H21  C30  C31  110.03  3.000
 GC6  H22  C30  C29  110.30  3.000
 GC6  H21  C30  C29  109.79  3.000
 GC6  C31  C30  C29  111.27  3.000
 GC6  H24  C31  H23  106.76  3.000
 GC6  H24  C31  C30  109.46  3.000
 GC6  H23  C31  C30  110.90  3.000
 GC6  H24  C31  C25  108.18  3.000
 GC6  H23  C31  C25  109.28  3.000
 GC6  C30  C31  C25  112.07  3.000
 GC6  H25  C32  C33  122.56  3.000
 GC6  H25  C32  C22  119.50  3.000
 GC6  C33  C32  C22  117.93  3.000
 GC6  N7   C33  C32  130.86  3.000
 GC6  N7   C33  C19  107.26  3.000
 GC6  C32  C33  C19  121.73  3.000
 GC6  C4   N3   C2   115.83  3.000
 GC6  C33  N7   C8   108.54  3.000
 GC6  C8   N7   C6   122.98  3.000
 GC6  C33  N7   C6   128.48  3.000
 GC6  H29  N17  H28  105.49  3.000
 GC6  H29  N17  C16  109.28  3.000
 GC6  H28  N17  C16  109.33  3.000
 GC6  C6   N34  C2   117.22  3.000
 GC6  H31  O26  C25  108.70  3.000
 GC6  H27  N1   H26  118.32  3.000
 GC6  H27  N1   C2   120.02  3.000
 GC6  H26  N1   C2   119.91  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
 GC6  CONST_01  C32  C22  C21  C20    0.00   0.0  0
 GC6  CONST_02  C32  C33  C19  C20    0.00   0.0  0
 GC6  CONST_03  N7   C33  C19  C20  180.00   0.0  0
 GC6  CONST_04  C8   C9   C19  C20  180.00   0.0  0
 GC6  CONST_05  C33  C32  C22  C21    0.00   0.0  0
 GC6  CONST_06  C33  C19  C20  C21    0.00   0.0  0
 GC6  CONST_07  C9   C19  C20  C21  180.00   0.0  0
 GC6  CONST_08  N7   C33  C32  C22  180.00   0.0  0
 GC6  CONST_09  C19  C33  C32  C22    0.00   0.0  0
 GC6  CONST_10  C19  C20  C21  C22    0.00   0.0  0
 GC6  CONST_11  C5   C4   N3   C2     0.00   0.0  0
 GC6  CONST_12  C5   C6   N34  C2     0.00   0.0  0
 GC6  CONST_13  N7   C6   N34  C2   180.00   0.0  0
 GC6  CONST_14  N34  C2   N3   C4     0.00   0.0  0
 GC6  CONST_15  N34  C6   C5   C4     0.00   0.0  0
 GC6  CONST_16  N7   C6   C5   C4   180.00   0.0  0
 GC6  CONST_19  N3   C4   C5   C6     0.00   0.0  0
 GC6  CONST_20  N3   C2   N34  C6     0.00   0.0  0
 GC6  CONST_21  C32  C33  N7   C6     0.00   0.0  0
 GC6  CONST_22  C19  C33  N7   C6   180.00   0.0  0
 GC6  CONST_23  C9   C8   N7   C6   180.00   0.0  0
 GC6  CONST_25  C32  C33  N7   C8   180.00   0.0  0
 GC6  CONST_26  C19  C33  N7   C8     0.00   0.0  0
 GC6  CONST_27  C33  C19  C9   C8     0.00   0.0  0
 GC6  CONST_28  C33  N7   C8   C9     0.00   0.0  0
 GC6  CONST_29  C32  C33  C19  C9   180.00   0.0  0
 GC6  CONST_30  N7   C33  C19  C9     0.00   0.0  0
 GC6  CONST_31  N7   C8   C9   C19    0.00   0.0  0
 GC6  CONST_33  N7   C8   C9   C10  180.00   0.0  0
 GC6  CONST_34  C33  C19  C9   C10  180.00   0.0  0
 GC6  CONST_35  C20  C19  C9   C10    0.00   0.0  0
 GC6  CONST_36  C23  C22  C21  C20  180.00   0.0  0
 GC6  CONST_37  N1   C2   N3   C4   180.00   0.0  0
 GC6  CONST_38  N1   C2   N34  C6   180.00   0.0  0
 GC6  CONST_39  C33  C32  C22  C23  180.00   0.0  0
 GC6  CONST_40  C9   C10  N12  C13    0.00   0.0  0
 GC6  CONST_41  C18  N12  C10  C9   180.00   0.0  0
 GC6  CONST_42  H25  C32  C22  C21  180.00   0.0  0
 GC6  CONST_43  H5   C20  C21  C22  180.00   0.0  0
 GC6  CONST_44  H9   C4   N3   C2   180.00   0.0  0
 GC6  CONST_45  H11  C8   N7   C6     0.00   0.0  0
 GC6  CONST_46  H6   C21  C20  C19  180.00   0.0  0
 GC6  CONST_47  H10  C5   C4   N3   180.00   0.0  0
 GC6  CONST_48  O11  C10  N12  C13  180.00   0.0  0
 GC6  CONST_49  O11  C10  N12  C18    0.00   0.0  0
 GC6  CONST_50  H26  N1   C2   N3     0.00   0.0  0
 GC6  CONST_51  H27  N1   C2   N3   180.00   0.0  0
 GC6  Var_01    C15  C14  C13  N12  -56.02  30.0  1
 GC6  Var_02    C16  C18  N12  C13  -58.73  30.0  1
 GC6  Var_03    C16  C15  C14  C13   53.21  30.0  1
 GC6  Var_04    C31  C30  C29  C28  -55.28  30.0  1
 GC6  Var_05    C18  N12  C13  C14   60.08  30.0  1
 GC6  Var_06    C29  C30  C31  C25   55.57  30.0  1
 GC6  Var_07    C29  C28  C27  C25  -55.94  30.0  1
 GC6  Var_08    C30  C29  C28  C27   55.51  30.0  1
 GC6  Var_09    C8   C9   C10  N12   51.09  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
 GC6  chir_01  C16  C18  C15  N17  negativ
 GC6  chir_02  C25  C27  C31  O26  positiv

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
 GC6  plan-1  C2   0.020
 GC6  plan-1  C4   0.020
 GC6  plan-1  C5   0.020
 GC6  plan-1  C6   0.020
 GC6  plan-1  N3   0.020
 GC6  plan-1  N7   0.020
 GC6  plan-1  N34  0.020
 GC6  plan-1  H9   0.020
 GC6  plan-1  H10  0.020
 GC6  plan-1  N1   0.020
 GC6  plan-2  C2   0.020
 GC6  plan-2  H26  0.020
 GC6  plan-2  H27  0.020
 GC6  plan-2  N1   0.020
 GC6  plan-3  C10  0.020
 GC6  plan-3  N12  0.020
 GC6  plan-3  C13  0.020
 GC6  plan-3  C9   0.020
 GC6  plan-3  C18  0.020
 GC6  plan-3  O11  0.020
 GC6  plan-4  C10  0.020
 GC6  plan-4  C20  0.020
 GC6  plan-4  C21  0.020
 GC6  plan-4  C22  0.020
 GC6  plan-4  C24  0.020
 GC6  plan-4  C6   0.020
 GC6  plan-4  C8   0.020
 GC6  plan-4  C9   0.020
 GC6  plan-4  C19  0.020
 GC6  plan-4  C23  0.020
 GC6  plan-4  C32  0.020
 GC6  plan-4  C33  0.020
 GC6  plan-4  N7   0.020
 GC6  plan-4  H5   0.020
 GC6  plan-4  H6   0.020
 GC6  plan-4  H11  0.020
 GC6  plan-4  H25  0.020

