# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Apr 12 13:20:00 2020
#   Inital geometry file: a 142 line input string
#   Ligand name: 4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(=O)CCc1cccc(c1)c2nc(NCCc3ccccc3)c4ccc(N)cc4n2
#
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
 9O5  9O5  4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one  ligand  57  31  .  2021-08-06  2021-08-06  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as GRAND
;

data_comp_9O5
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
 9O5  C4   C  CR66  0   0.276  -0.5380  -2.7999  -0.1270
 9O5  C5   C  CR66  0  -0.055   0.8686  -2.7616  -0.0057
 9O5  C6   C  CR6   0   0.541   1.4605  -1.4563  -0.0131
 9O5  N1   N  N     0  -0.514   0.7109  -0.3743  -0.1271
 9O5  N3   N  N     0  -0.504  -1.2714  -1.6616  -0.2507
 9O5  CAB  C  CH3   0  -0.766  -7.9262   2.0957   1.7945
 9O5  CAC  C  C     0   0.397  -7.2329   1.9399   0.4685
 9O5  OAA  O  O     0  -0.408  -7.8439   1.7743  -0.5638
 9O5  CAD  C  CH2   0  -0.555  -5.7271   1.9915   0.5108
 9O5  CAO  C  CR6   0   0.153  -3.5466   1.8234  -0.6931
 9O5  CAP  C  CR16  0  -0.362  -2.7895   0.6680  -0.5474
 9O5  CAN  C  CR16  0  -0.310  -2.8951   3.0559  -0.6758
 9O5  CAM  C  CR16  0  -0.224  -1.5189   3.1224  -0.5166
 9O5  CAL  C  CR16  0  -0.309  -0.7727   1.9617  -0.3753
 9O5  CAQ  C  CR6   0   0.011  -1.4038   0.7190  -0.3897
 9O5  C2   C  CR6   0   0.365  -0.6162  -0.5304  -0.2477
 9O5  CBC  C  CR16  0  -0.425  -1.2039  -4.0333  -0.1174
 9O5  CBD  C  CR6   0   0.344  -0.5031  -5.2240   0.0032
 9O5  NAU  N  NH2   0  -0.860  -1.1315  -6.4342  -0.0366
 9O5  CBE  C  CR16  0  -0.322   0.9103  -5.1736   0.1235
 9O5  CAZ  C  CR16  0  -0.301   1.5687  -3.9756   0.1173
 9O5  NAT  N  NH1   0  -0.682   2.7856  -1.2887   0.0864
 9O5  CAS  C  CH2   0  -0.234   3.4195   0.0092   0.1775
 9O5  CAR  C  CH2   0  -0.558   4.9259  -0.1282  -0.0167
 9O5  CAK  C  CR6   0   0.125   5.6069   1.2055   0.1119
 9O5  CAF  C  CR16  0  -0.305   5.9775   1.6982   1.3614
 9O5  CAG  C  CR16  0  -0.240   6.5714   2.9469   1.4860
 9O5  CAH  C  CR16  0  -0.271   6.8050   3.7238   0.3583
 9O5  CAI  C  CR16  0  -0.240   6.4389   3.2433  -0.8921
 9O5  CAJ  C  CR16  0  -0.307   5.8435   1.9943  -1.0114
 9O5  H1   H  HCH3  0   0.268  -7.7550   1.2022   2.3994
 9O5  H2   H  HCH3  0   0.259  -7.5153   2.9361   2.3551
 9O5  H3   H  HCH3  0   0.259  -8.9986   2.2312   1.6703
 9O5  H4   H  HCH2  0   0.275  -5.4436   2.9688   0.9174
 9O5  H5   H  HCH2  0   0.274  -5.3829   1.2688   1.2586
 9O5  H6   H  HCH2  0   0.250  -5.3293   0.7715  -1.2193
 9O5  H7   H  HCH2  0   0.250  -5.3850   2.4913  -1.5542
 9O5  H8   H  HCR6  0   0.241  -3.2822  -0.2964  -0.5631
 9O5  H9   H  HCR6  0   0.249  -3.4697   3.9678  -0.7931
 9O5  H10  H  HCR6  0   0.253  -1.0227   4.0845  -0.5076
 9O5  H11  H  HCR6  0   0.257   0.3008   2.0161  -0.2589
 9O5  H12  H  HCR6  0   0.254  -2.2838  -4.0377  -0.2060
 9O5  H13  H  HNH2  0   0.388  -2.1242  -6.4480   0.1280
 9O5  H14  H  HNH2  0   0.389  -0.6469  -7.2230   0.3575
 9O5  H15  H  HCR6  0   0.268   1.4699  -6.0958   0.2204
 9O5  H16  H  HCR6  0   0.253   2.6479  -3.9921   0.2082
 9O5  H17  H  HNH1  0   0.409   3.3607  -2.0917   0.2766
 9O5  H18  H  HCH2  0   0.248   3.0035   0.6681  -0.5855
 9O5  H19  H  HCH2  0   0.236   3.2071   0.4740   1.1462
 9O5  H20  H  HCH2  0   0.255   5.3283  -0.8247   0.7245
 9O5  H21  H  HCH2  0   0.258   5.1251  -0.5563  -1.0016
 9O5  H22  H  HCR6  0   0.248   5.8040   1.0968   2.2466
 9O5  H23  H  HCR6  0   0.255   6.8541   3.3128   2.4647
 9O5  H24  H  HCR6  0   0.254   7.2725   4.6955   0.4538
 9O5  H25  H  HCR6  0   0.254   6.6191   3.8394  -1.7776
 9O5  H26  H  HCR6  0   0.249   5.5638   1.6251  -1.9913
 9O5  CAE  C  CH2   0  -0.508  -5.0424   1.7499  -0.8294

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
 9O5  CAH  CAG  aromatic  1.389  0.020  1.389
 9O5  CAH  CAI  aromatic  1.389  0.020  1.389
 9O5  CAG  CAF  aromatic  1.388  0.020  1.388
 9O5  CAI  CAJ  aromatic  1.389  0.020  1.389
 9O5  CAF  CAK  aromatic  1.393  0.020  1.393
 9O5  CAJ  CAK  aromatic  1.393  0.020  1.393
 9O5  CAK  CAR  single    1.503  0.020  1.503
 9O5  CAR  CAS  single    1.525  0.020  1.525
 9O5  CAS  NAT  single    1.447  0.020  1.447
 9O5  NAT  C6   single    1.339  0.020  1.339
 9O5  CAM  CAL  aromatic  1.387  0.020  1.387
 9O5  CAM  CAN  aromatic  1.387  0.020  1.387
 9O5  CAL  CAQ  aromatic  1.394  0.020  1.394
 9O5  N1   C6   aromatic  1.321  0.020  1.321
 9O5  N1   C2   aromatic  1.342  0.020  1.342
 9O5  CAN  CAO  aromatic  1.394  0.020  1.394
 9O5  C6   C5   aromatic  1.433  0.020  1.433
 9O5  CAQ  C2   single    1.484  0.020  1.484
 9O5  CAQ  CAP  aromatic  1.396  0.020  1.396
 9O5  C2   N3   aromatic  1.307  0.020  1.307
 9O5  CAO  CAP  aromatic  1.389  0.020  1.389
 9O5  CAO  CAE  single    1.504  0.020  1.504
 9O5  C5   CAZ  aromatic  1.407  0.020  1.407
 9O5  C5   C4   aromatic  1.412  0.020  1.412
 9O5  CAZ  CBE  aromatic  1.367  0.020  1.367
 9O5  CAE  CAD  single    1.524  0.020  1.524
 9O5  N3   C4   aromatic  1.360  0.020  1.360
 9O5  CAD  CAC  single    1.507  0.020  1.507
 9O5  C4   CBC  aromatic  1.402  0.020  1.402
 9O5  OAA  CAC  double    1.211  0.020  1.211
 9O5  CBE  CBD  aromatic  1.419  0.020  1.419
 9O5  CAC  CAB  single    1.504  0.020  1.504
 9O5  CBC  CBD  aromatic  1.387  0.020  1.387
 9O5  CBD  NAU  single    1.364  0.020  1.364
 9O5  CAB  H1   single    0.970  0.020  1.090
 9O5  CAB  H2   single    0.970  0.020  1.090
 9O5  CAB  H3   single    0.970  0.020  1.090
 9O5  CAD  H4   single    0.970  0.020  1.090
 9O5  CAD  H5   single    0.970  0.020  1.090
 9O5  CAE  H6   single    0.970  0.020  1.090
 9O5  CAE  H7   single    0.970  0.020  1.090
 9O5  CAP  H8   single    0.930  0.020  1.080
 9O5  CAN  H9   single    0.930  0.020  1.080
 9O5  CAM  H10  single    0.930  0.020  1.080
 9O5  CAL  H11  single    0.930  0.020  1.080
 9O5  CBC  H12  single    0.930  0.020  1.080
 9O5  NAU  H13  single    0.890  0.020  1.040
 9O5  NAU  H14  single    0.890  0.020  1.040
 9O5  CBE  H15  single    0.930  0.020  1.080
 9O5  CAZ  H16  single    0.930  0.020  1.080
 9O5  NAT  H17  single    0.860  0.020  1.020
 9O5  CAS  H18  single    0.970  0.020  1.090
 9O5  CAS  H19  single    0.970  0.020  1.090
 9O5  CAR  H20  single    0.970  0.020  1.090
 9O5  CAR  H21  single    0.970  0.020  1.090
 9O5  CAF  H22  single    0.930  0.020  1.080
 9O5  CAG  H23  single    0.930  0.020  1.080
 9O5  CAH  H24  single    0.930  0.020  1.080
 9O5  CAI  H25  single    0.930  0.020  1.080
 9O5  CAJ  H26  single    0.930  0.020  1.080

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
 9O5  CBC  C4   N3   118.75  3.000
 9O5  CBC  C4   C5   119.76  3.000
 9O5  N3   C4   C5   121.49  3.000
 9O5  CAZ  C5   C6   125.51  3.000
 9O5  CAZ  C5   C4   118.67  3.000
 9O5  C6   C5   C4   115.82  3.000
 9O5  NAT  C6   N1   117.73  3.000
 9O5  N1   C6   C5   120.79  3.000
 9O5  NAT  C6   C5   121.48  3.000
 9O5  C2   N1   C6   118.27  3.000
 9O5  C2   N3   C4   116.99  3.000
 9O5  H3   CAB  H2   109.52  3.000
 9O5  H3   CAB  H1   108.63  3.000
 9O5  H2   CAB  H1   106.65  3.000
 9O5  H3   CAB  CAC  111.50  3.000
 9O5  H2   CAB  CAC  111.05  3.000
 9O5  H1   CAB  CAC  109.34  3.000
 9O5  CAD  CAC  OAA  122.19  3.000
 9O5  OAA  CAC  CAB  122.21  3.000
 9O5  CAD  CAC  CAB  115.60  3.000
 9O5  H5   CAD  H4   104.70  3.000
 9O5  H5   CAD  CAE  110.76  3.000
 9O5  H4   CAD  CAE  110.57  3.000
 9O5  H5   CAD  CAC  108.09  3.000
 9O5  H4   CAD  CAC  107.42  3.000
 9O5  CAE  CAD  CAC  114.75  3.000
 9O5  CAN  CAO  CAP  118.64  3.000
 9O5  CAP  CAO  CAE  120.73  3.000
 9O5  CAN  CAO  CAE  120.60  3.000
 9O5  H8   CAP  CAQ  119.07  3.000
 9O5  H8   CAP  CAO  119.42  3.000
 9O5  CAQ  CAP  CAO  121.51  3.000
 9O5  H9   CAN  CAM  119.87  3.000
 9O5  H9   CAN  CAO  119.64  3.000
 9O5  CAM  CAN  CAO  120.49  3.000
 9O5  H10  CAM  CAL  119.75  3.000
 9O5  H10  CAM  CAN  119.90  3.000
 9O5  CAL  CAM  CAN  120.36  3.000
 9O5  H11  CAL  CAQ  119.70  3.000
 9O5  H11  CAL  CAM  120.20  3.000
 9O5  CAQ  CAL  CAM  120.09  3.000
 9O5  C2   CAQ  CAL  120.63  3.000
 9O5  C2   CAQ  CAP  120.47  3.000
 9O5  CAL  CAQ  CAP  118.90  3.000
 9O5  CAQ  C2   N3   117.54  3.000
 9O5  N3   C2   N1   126.63  3.000
 9O5  CAQ  C2   N1   115.83  3.000
 9O5  H12  CBC  CBD  120.48  3.000
 9O5  H12  CBC  C4   118.46  3.000
 9O5  CBD  CBC  C4   121.06  3.000
 9O5  CBE  CBD  NAU  119.52  3.000
 9O5  NAU  CBD  CBC  121.76  3.000
 9O5  CBE  CBD  CBC  118.69  3.000
 9O5  H14  NAU  H13  113.59  3.000
 9O5  H14  NAU  CBD  117.53  3.000
 9O5  H13  NAU  CBD  117.50  3.000
 9O5  H15  CBE  CAZ  119.85  3.000
 9O5  H15  CBE  CBD  119.46  3.000
 9O5  CAZ  CBE  CBD  120.69  3.000
 9O5  H16  CAZ  CBE  117.79  3.000
 9O5  H16  CAZ  C5   121.09  3.000
 9O5  CBE  CAZ  C5   121.13  3.000
 9O5  H17  NAT  CAS  116.97  3.000
 9O5  H17  NAT  C6   118.68  3.000
 9O5  CAS  NAT  C6   123.38  3.000
 9O5  H19  CAS  H18  106.76  3.000
 9O5  H19  CAS  CAR  110.02  3.000
 9O5  H18  CAS  CAR  110.01  3.000
 9O5  H19  CAS  NAT  110.57  3.000
 9O5  H18  CAS  NAT  109.31  3.000
 9O5  CAR  CAS  NAT  110.11  3.000
 9O5  H21  CAR  H20  107.12  3.000
 9O5  H21  CAR  CAK  110.02  3.000
 9O5  H20  CAR  CAK  109.90  3.000
 9O5  H21  CAR  CAS  109.29  3.000
 9O5  H20  CAR  CAS  109.55  3.000
 9O5  CAK  CAR  CAS  110.90  3.000
 9O5  CAJ  CAK  CAF  118.54  3.000
 9O5  CAJ  CAK  CAR  120.70  3.000
 9O5  CAF  CAK  CAR  120.73  3.000
 9O5  H22  CAF  CAG  119.61  3.000
 9O5  H22  CAF  CAK  119.57  3.000
 9O5  CAG  CAF  CAK  120.82  3.000
 9O5  H23  CAG  CAH  120.06  3.000
 9O5  H23  CAG  CAF  119.80  3.000
 9O5  CAH  CAG  CAF  120.14  3.000
 9O5  H24  CAH  CAI  120.25  3.000
 9O5  H24  CAH  CAG  120.20  3.000
 9O5  CAI  CAH  CAG  119.54  3.000
 9O5  H25  CAI  CAJ  119.76  3.000
 9O5  H25  CAI  CAH  120.14  3.000
 9O5  CAJ  CAI  CAH  120.11  3.000
 9O5  H26  CAJ  CAI  119.65  3.000
 9O5  H26  CAJ  CAK  119.50  3.000
 9O5  CAI  CAJ  CAK  120.86  3.000
 9O5  H7   CAE  H6   106.80  3.000
 9O5  H7   CAE  CAO  109.82  3.000
 9O5  H6   CAE  CAO  109.73  3.000
 9O5  H7   CAE  CAD  109.58  3.000
 9O5  H6   CAE  CAD  109.76  3.000
 9O5  CAO  CAE  CAD  111.06  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
 9O5  CONST_01  N1   C6   C5   C4      0.00   0.0  0
 9O5  CONST_02  CBE  CAZ  C5   C4      0.00   0.0  0
 9O5  CONST_03  N1   C2   N3   C4      0.00   0.0  0
 9O5  CONST_04  CAQ  C2   N3   C4    180.00   0.0  0
 9O5  CONST_05  CBE  CBD  CBC  C4      0.00   0.0  0
 9O5  CONST_06  C2   N1   C6   C5      0.00   0.0  0
 9O5  CONST_07  CBD  CBE  CAZ  C5      0.00   0.0  0
 9O5  CONST_08  C2   N3   C4   C5      0.00   0.0  0
 9O5  CONST_09  CBD  CBC  C4   C5      0.00   0.0  0
 9O5  CONST_10  CAQ  C2   N1   C6    180.00   0.0  0
 9O5  CONST_11  N3   C2   N1   C6      0.00   0.0  0
 9O5  CONST_12  CBE  CAZ  C5   C6    180.00   0.0  0
 9O5  CONST_13  N3   C4   C5   C6      0.00   0.0  0
 9O5  CONST_14  CBC  C4   C5   C6    180.00   0.0  0
 9O5  CONST_15  CAZ  C5   C6   N1    180.00   0.0  0
 9O5  CONST_16  CAL  CAQ  C2   N1      0.00   0.0  0
 9O5  CONST_17  CAP  CAQ  C2   N1    180.00   0.0  0
 9O5  CONST_18  CAL  CAQ  C2   N3    180.00   0.0  0
 9O5  CONST_19  CAP  CAQ  C2   N3      0.00   0.0  0
 9O5  CONST_20  CAZ  C5   C4   N3    180.00   0.0  0
 9O5  CONST_21  CBD  CBC  C4   N3    180.00   0.0  0
 9O5  CONST_22  CAL  CAM  CAN  CAO     0.00   0.0  0
 9O5  CONST_23  CAL  CAQ  CAP  CAO     0.00   0.0  0
 9O5  CONST_24  C2   CAQ  CAP  CAO   180.00   0.0  0
 9O5  CONST_25  CAM  CAL  CAQ  CAP     0.00   0.0  0
 9O5  CONST_26  CAM  CAN  CAO  CAP     0.00   0.0  0
 9O5  CONST_27  CAQ  CAL  CAM  CAN     0.00   0.0  0
 9O5  CONST_28  CAQ  CAP  CAO  CAN     0.00   0.0  0
 9O5  CONST_29  C2   CAQ  CAL  CAM   180.00   0.0  0
 9O5  CONST_30  CBC  C4   N3   C2    180.00   0.0  0
 9O5  CONST_31  CAZ  C5   C4   CBC     0.00   0.0  0
 9O5  CONST_32  CAZ  CBE  CBD  CBC     0.00   0.0  0
 9O5  CONST_33  CAH  CAG  CAF  CAK     0.00   0.0  0
 9O5  CONST_34  CAH  CAI  CAJ  CAK     0.00   0.0  0
 9O5  CONST_35  CAI  CAH  CAG  CAF     0.00   0.0  0
 9O5  CONST_36  CAI  CAJ  CAK  CAF     0.00   0.0  0
 9O5  CONST_37  CAJ  CAI  CAH  CAG     0.00   0.0  0
 9O5  CONST_38  CAJ  CAK  CAF  CAG     0.00   0.0  0
 9O5  CONST_39  NAT  C6   C5   C4    180.00   0.0  0
 9O5  CONST_40  NAU  CBD  CBC  C4    180.00   0.0  0
 9O5  CONST_41  CAM  CAN  CAO  CAE   180.00   0.0  0
 9O5  CONST_42  CAQ  CAP  CAO  CAE   180.00   0.0  0
 9O5  CONST_43  NAT  C6   N1   C2    180.00   0.0  0
 9O5  CONST_44  CAZ  CBE  CBD  NAU   180.00   0.0  0
 9O5  CONST_45  NAT  C6   C5   CAZ     0.00   0.0  0
 9O5  CONST_46  CAG  CAF  CAK  CAR   180.00   0.0  0
 9O5  CONST_47  CAI  CAJ  CAK  CAR   180.00   0.0  0
 9O5  CONST_48  H16  CAZ  C5   C4    180.00   0.0  0
 9O5  CONST_49  H15  CBE  CAZ  C5    180.00   0.0  0
 9O5  CONST_50  H12  CBC  C4   C5    180.00   0.0  0
 9O5  CONST_51  H10  CAM  CAN  CAO   180.00   0.0  0
 9O5  CONST_52  H11  CAL  CAQ  CAP   180.00   0.0  0
 9O5  CONST_53  H9   CAN  CAO  CAP   180.00   0.0  0
 9O5  CONST_54  H8   CAP  CAO  CAN   180.00   0.0  0
 9O5  CONST_55  H23  CAG  CAF  CAK   180.00   0.0  0
 9O5  CONST_56  H25  CAI  CAJ  CAK   180.00   0.0  0
 9O5  CONST_57  H24  CAH  CAG  CAF   180.00   0.0  0
 9O5  CONST_58  H26  CAJ  CAK  CAF   180.00   0.0  0
 9O5  CONST_59  H22  CAF  CAG  CAH   180.00   0.0  0
 9O5  CONST_60  CAS  NAT  C6   C5    180.00   0.0  0
 9O5  CONST_61  CAS  NAT  C6   N1      0.00   0.0  0
 9O5  CONST_62  H17  NAT  C6   C5      0.00   0.0  0
 9O5  Var_01    CAN  CAO  CAE  CAD   -81.11  30.0  2
 9O5  Var_02    CAF  CAK  CAR  CAS    85.31  30.0  2
 9O5  Var_03    CAR  CAS  NAT  C6   -168.13  30.0  1
 9O5  Var_04    CAO  CAE  CAD  CAC   179.85  30.0  2
 9O5  Var_05    CAK  CAR  CAS  NAT  -178.45  30.0  1
 9O5  Var_06    CAE  CAD  CAC  CAB   176.57  30.0  1
 9O5  Var_07    H1   CAB  CAC  OAA   109.22  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
 9O5  plan-1  CAO  0.020
 9O5  plan-1  CAP  0.020
 9O5  plan-1  CAN  0.020
 9O5  plan-1  CAM  0.020
 9O5  plan-1  CAL  0.020
 9O5  plan-1  CAQ  0.020
 9O5  plan-1  C2   0.020
 9O5  plan-1  H8   0.020
 9O5  plan-1  H9   0.020
 9O5  plan-1  H10  0.020
 9O5  plan-1  H11  0.020
 9O5  plan-1  CAE  0.020
 9O5  plan-2  CAR  0.020
 9O5  plan-2  CAK  0.020
 9O5  plan-2  CAF  0.020
 9O5  plan-2  CAG  0.020
 9O5  plan-2  CAH  0.020
 9O5  plan-2  CAI  0.020
 9O5  plan-2  CAJ  0.020
 9O5  plan-2  H22  0.020
 9O5  plan-2  H23  0.020
 9O5  plan-2  H24  0.020
 9O5  plan-2  H25  0.020
 9O5  plan-2  H26  0.020
 9O5  plan-3  C4   0.020
 9O5  plan-3  C5   0.020
 9O5  plan-3  C6   0.020
 9O5  plan-3  N1   0.020
 9O5  plan-3  N3   0.020
 9O5  plan-3  CAQ  0.020
 9O5  plan-3  C2   0.020
 9O5  plan-3  CBC  0.020
 9O5  plan-3  CBD  0.020
 9O5  plan-3  NAU  0.020
 9O5  plan-3  CBE  0.020
 9O5  plan-3  CAZ  0.020
 9O5  plan-3  NAT  0.020
 9O5  plan-3  H12  0.020
 9O5  plan-3  H15  0.020
 9O5  plan-3  H16  0.020
 9O5  plan-4  CBD  0.020
 9O5  plan-4  NAU  0.020
 9O5  plan-4  H13  0.020
 9O5  plan-4  H14  0.020
 9O5  plan-5  C6   0.020
 9O5  plan-5  NAT  0.020
 9O5  plan-5  CAS  0.020
 9O5  plan-5  H17  0.020
 9O5  plan-6  CAB  0.020
 9O5  plan-6  CAC  0.020
 9O5  plan-6  OAA  0.020
 9O5  plan-6  CAD  0.020

