# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Apr  9 06:16:15 2020
#   Inital geometry file: a 136 line input string
#   Ligand name: 3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)n1nc(c2cc(C)c3nc(OCc4ccccc4)ccc3c2)c5c(N)ncnc15
#
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
 2H1  2H1  3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine  ligand  56  32  .  2021-08-04  2021-08-04  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_2H1
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
 2H1  CAL  C  CH3   0  -0.648  -6.1194  -2.9352  -0.8219
 2H1  CAK  C  CH1   0  -0.121  -6.1527  -1.9719   0.3562
 2H1  CAM  C  CH3   0  -0.649  -5.9757  -2.6843   1.6890
 2H1  NAG  N  NR5   0  -0.361  -5.1470  -0.9319   0.1911
 2H1  NAH  N  N     0  -0.274  -3.8452  -1.2382   0.1693
 2H1  C4   C  CR56  0   0.580  -5.3414   0.3891   0.0305
 2H1  N3   N  N     0  -0.466  -6.5133   1.0315   0.0028
 2H1  C2   C  CR16  0   0.055  -6.3665   2.3237  -0.1988
 2H1  N1   N  N     0  -0.477  -5.2420   3.0078  -0.4031
 2H1  C6   C  CR6   0   0.430  -4.0766   2.3564  -0.3938
 2H1  NAJ  N  NH2   0  -0.816  -2.9711   3.0593  -0.6504
 2H1  C5   C  CR56  0  -0.266  -4.0767   0.9688  -0.1146
 2H1  CAI  C  CR5   0   0.269  -3.1717  -0.1238  -0.0034
 2H1  CAN  C  CR6   0   0.058  -1.7069  -0.1488  -0.0418
 2H1  CAS  C  CR16  0  -0.447  -0.9591   0.8193   0.5860
 2H1  CAO  C  CR16  0  -0.350  -1.0445  -1.2107  -0.6996
 2H1  CAP  C  CR6   0   0.085   0.3239  -1.3053  -0.7482
 2H1  CAX  C  CH3   0  -0.713   1.0084  -2.4337  -1.4543
 2H1  CAQ  C  CR66  0   0.167   1.0975  -0.2994  -0.1115
 2H1  NAT  N  N     0  -0.485   2.4479  -0.3932  -0.1626
 2H1  CAR  C  CR66  0   0.090   0.4462   0.7620   0.5543
 2H1  CAW  C  CR16  0  -0.180   1.2646   1.7380   1.1796
 2H1  CAV  C  CR16  0  -0.382   2.6170   1.6312   1.1193
 2H1  CAU  C  CR6   0   0.517   3.1627   0.5195   0.4191
 2H1  OAY  O  O2    0  -0.467   4.4930   0.4531   0.3853
 2H1  CAZ  C  CH2   0  -0.245   5.0871  -0.6592  -0.2909
 2H1  CBA  C  CR6   0   0.087   6.5718  -0.4988  -0.1728
 2H1  CBB  C  CR16  0  -0.294   7.2894   0.1768  -1.1554
 2H1  CBC  C  CR16  0  -0.242   8.6620   0.3479  -1.0359
 2H1  CBD  C  CR16  0  -0.262   9.3302  -0.1543   0.0732
 2H1  CBE  C  CR16  0  -0.243   8.6217  -0.8299   1.0589
 2H1  CBF  C  CR16  0  -0.291   7.2496  -0.9991   0.9354
 2H1  H1   H  HCH3  0   0.239  -6.9323  -3.6545  -0.7295
 2H1  H2   H  HCH3  0   0.240  -6.2393  -2.4083  -1.7685
 2H1  H3   H  HCH3  0   0.232  -5.1797  -3.4874  -0.8507
 2H1  H4   H  HCH1  0   0.264  -7.1064  -1.4423   0.3572
 2H1  H5   H  HCH3  0   0.233  -5.0255  -3.2177   1.7262
 2H1  H6   H  HCH3  0   0.240  -6.0130  -1.9831   2.5226
 2H1  H7   H  HCH3  0   0.238  -6.7753  -3.4125   1.8245
 2H1  H8   H  HCR6  0   0.254  -7.2772   2.9138  -0.2145
 2H1  H9   H  HNH2  0   0.405  -3.0617   4.0210  -0.9331
 2H1  H10  H  HNH2  0   0.414  -2.0914   2.6074  -0.8293
 2H1  H11  H  HCR6  0   0.275  -1.4362   1.6196   1.1404
 2H1  H12  H  HCR6  0   0.250  -1.6434  -1.9699  -1.1880
 2H1  H13  H  HCH3  0   0.245   1.6899  -2.0653  -2.2217
 2H1  H14  H  HCH3  0   0.245   1.6092  -3.0266  -0.7635
 2H1  H15  H  HCH3  0   0.242   0.2850  -3.0944  -1.9293
 2H1  H16  H  HCR6  0   0.275   0.8016   2.5675   1.6996
 2H1  H17  H  HCR6  0   0.278   3.2692   2.3591   1.5822
 2H1  H18  H  HCH2  0   0.244   4.7528  -1.5937   0.1661
 2H1  H19  H  HCH2  0   0.244   4.7729  -0.6733  -1.3372
 2H1  H20  H  HCR6  0   0.255   6.7725   0.5678  -2.0237
 2H1  H21  H  HCR6  0   0.258   9.2091   0.8712  -1.8093
 2H1  H22  H  HCR6  0   0.258  10.4005  -0.0236   0.1674
 2H1  H23  H  HCR6  0   0.258   9.1381  -1.2276   1.9228
 2H1  H24  H  HCR6  0   0.254   6.7020  -1.5301   1.7052

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
 2H1  NAJ  C6   single    1.335  0.020  1.335
 2H1  N1   C6   aromatic  1.335  0.020  1.335
 2H1  N1   C2   aromatic  1.332  0.020  1.332
 2H1  C6   C5   aromatic  1.415  0.020  1.415
 2H1  C2   N3   aromatic  1.316  0.020  1.316
 2H1  CAZ  OAY  single    1.431  0.020  1.431
 2H1  CAZ  CBA  single    1.498  0.020  1.498
 2H1  OAY  CAU  single    1.332  0.020  1.332
 2H1  C5   C4   aromatic  1.399  0.020  1.399
 2H1  C5   CAI  aromatic  1.423  0.020  1.423
 2H1  CAU  NAT  aromatic  1.297  0.020  1.297
 2H1  CAU  CAV  aromatic  1.423  0.020  1.423
 2H1  NAT  CAQ  aromatic  1.355  0.020  1.355
 2H1  CAV  CAW  aromatic  1.358  0.020  1.358
 2H1  CAX  CAP  single    1.497  0.020  1.497
 2H1  CAQ  CAP  aromatic  1.420  0.020  1.420
 2H1  CAQ  CAR  aromatic  1.412  0.020  1.412
 2H1  CAP  CAO  aromatic  1.373  0.020  1.373
 2H1  N3   C4   aromatic  1.337  0.020  1.337
 2H1  CAW  CAR  aromatic  1.419  0.020  1.419
 2H1  CAR  CAS  aromatic  1.407  0.020  1.407
 2H1  CBB  CBA  aromatic  1.392  0.020  1.392
 2H1  CBB  CBC  aromatic  1.388  0.020  1.388
 2H1  CAO  CAN  aromatic  1.414  0.020  1.414
 2H1  CBA  CBF  aromatic  1.392  0.020  1.392
 2H1  CAS  CAN  aromatic  1.375  0.020  1.375
 2H1  CAN  CAI  single    1.466  0.020  1.466
 2H1  C4   NAG  aromatic  1.345  0.020  1.345
 2H1  CAI  NAH  aromatic  1.313  0.020  1.313
 2H1  CBC  CBD  aromatic  1.389  0.020  1.389
 2H1  CBF  CBE  aromatic  1.388  0.020  1.388
 2H1  NAG  NAH  aromatic  1.338  0.020  1.338
 2H1  NAG  CAK  single    1.456  0.020  1.456
 2H1  CAM  CAK  single    1.522  0.020  1.522
 2H1  CBD  CBE  aromatic  1.389  0.020  1.389
 2H1  CAK  CAL  single    1.522  0.020  1.522
 2H1  CAL  H1   single    0.970  0.020  1.090
 2H1  CAL  H2   single    0.970  0.020  1.090
 2H1  CAL  H3   single    0.970  0.020  1.090
 2H1  CAK  H4   single    0.970  0.020  1.090
 2H1  CAM  H5   single    0.970  0.020  1.090
 2H1  CAM  H6   single    0.970  0.020  1.090
 2H1  CAM  H7   single    0.970  0.020  1.090
 2H1  C2   H8   single    0.930  0.020  1.080
 2H1  NAJ  H9   single    0.860  0.020  1.020
 2H1  NAJ  H10  single    0.860  0.020  1.020
 2H1  CAS  H11  single    0.930  0.020  1.080
 2H1  CAO  H12  single    0.930  0.020  1.080
 2H1  CAX  H13  single    0.970  0.020  1.090
 2H1  CAX  H14  single    0.970  0.020  1.090
 2H1  CAX  H15  single    0.970  0.020  1.090
 2H1  CAW  H16  single    0.930  0.020  1.080
 2H1  CAV  H17  single    0.930  0.020  1.080
 2H1  CAZ  H18  single    0.970  0.020  1.090
 2H1  CAZ  H19  single    0.970  0.020  1.090
 2H1  CBB  H20  single    0.930  0.020  1.080
 2H1  CBC  H21  single    0.930  0.020  1.080
 2H1  CBD  H22  single    0.930  0.020  1.080
 2H1  CBE  H23  single    0.930  0.020  1.080
 2H1  CBF  H24  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
 2H1  H3   CAL  H2   108.46  3.000
 2H1  H3   CAL  H1   108.11  3.000
 2H1  H2   CAL  H1   108.11  3.000
 2H1  H3   CAL  CAK  111.09  3.000
 2H1  H2   CAL  CAK  111.34  3.000
 2H1  H1   CAL  CAK  109.63  3.000
 2H1  H4   CAK  NAG  104.90  3.000
 2H1  H4   CAK  CAM  109.16  3.000
 2H1  NAG  CAK  CAM  110.69  3.000
 2H1  H4   CAK  CAL  109.09  3.000
 2H1  CAM  CAK  CAL  112.28  3.000
 2H1  NAG  CAK  CAL  110.43  3.000
 2H1  H7   CAM  H6   108.04  3.000
 2H1  H7   CAM  H5   107.95  3.000
 2H1  H6   CAM  H5   108.57  3.000
 2H1  H7   CAM  CAK  109.66  3.000
 2H1  H6   CAM  CAK  111.39  3.000
 2H1  H5   CAM  CAK  111.12  3.000
 2H1  C4   NAG  NAH  111.33  3.000
 2H1  NAH  NAG  CAK  120.70  3.000
 2H1  C4   NAG  CAK  127.97  3.000
 2H1  CAI  NAH  NAG  107.87  3.000
 2H1  C5   C4   N3   126.25  3.000
 2H1  N3   C4   NAG  126.96  3.000
 2H1  C5   C4   NAG  106.78  3.000
 2H1  C2   N3   C4   112.17  3.000
 2H1  H8   C2   N1   115.27  3.000
 2H1  H8   C2   N3   116.27  3.000
 2H1  N1   C2   N3   128.46  3.000
 2H1  C6   N1   C2   119.03  3.000
 2H1  C5   C6   NAJ  123.65  3.000
 2H1  C5   C6   N1   118.66  3.000
 2H1  NAJ  C6   N1   117.68  3.000
 2H1  H10  NAJ  H9   117.28  3.000
 2H1  H10  NAJ  C6   121.49  3.000
 2H1  H9   NAJ  C6   118.86  3.000
 2H1  CAI  C5   C6   140.18  3.000
 2H1  CAI  C5   C4   104.40  3.000
 2H1  C6   C5   C4   115.27  3.000
 2H1  CAN  CAI  C5   130.29  3.000
 2H1  CAN  CAI  NAH  120.09  3.000
 2H1  C5   CAI  NAH  109.61  3.000
 2H1  CAO  CAN  CAS  119.10  3.000
 2H1  CAS  CAN  CAI  121.31  3.000
 2H1  CAO  CAN  CAI  119.56  3.000
 2H1  H11  CAS  CAR  118.76  3.000
 2H1  H11  CAS  CAN  120.92  3.000
 2H1  CAR  CAS  CAN  120.29  3.000
 2H1  H12  CAO  CAP  119.14  3.000
 2H1  H12  CAO  CAN  118.50  3.000
 2H1  CAP  CAO  CAN  122.37  3.000
 2H1  CAQ  CAP  CAX  119.77  3.000
 2H1  CAQ  CAP  CAO  118.59  3.000
 2H1  CAX  CAP  CAO  121.64  3.000
 2H1  H15  CAX  H14  108.21  3.000
 2H1  H15  CAX  H13  108.25  3.000
 2H1  H14  CAX  H13  106.56  3.000
 2H1  H15  CAX  CAP  111.07  3.000
 2H1  H14  CAX  CAP  111.28  3.000
 2H1  H13  CAX  CAP  111.29  3.000
 2H1  CAR  CAQ  NAT  121.98  3.000
 2H1  CAR  CAQ  CAP  119.52  3.000
 2H1  NAT  CAQ  CAP  118.50  3.000
 2H1  CAU  NAT  CAQ  118.93  3.000
 2H1  CAW  CAR  CAQ  117.31  3.000
 2H1  CAW  CAR  CAS  122.56  3.000
 2H1  CAQ  CAR  CAS  120.13  3.000
 2H1  H16  CAW  CAV  120.49  3.000
 2H1  H16  CAW  CAR  119.47  3.000
 2H1  CAV  CAW  CAR  120.05  3.000
 2H1  H17  CAV  CAU  120.35  3.000
 2H1  H17  CAV  CAW  121.92  3.000
 2H1  CAU  CAV  CAW  117.73  3.000
 2H1  OAY  CAU  CAV  115.75  3.000
 2H1  CAV  CAU  NAT  124.00  3.000
 2H1  OAY  CAU  NAT  120.25  3.000
 2H1  CAZ  OAY  CAU  117.73  3.000
 2H1  H19  CAZ  H18  107.55  3.000
 2H1  H19  CAZ  CBA  111.22  3.000
 2H1  H18  CAZ  CBA  111.22  3.000
 2H1  H19  CAZ  OAY  110.07  3.000
 2H1  H18  CAZ  OAY  109.89  3.000
 2H1  CBA  CAZ  OAY  106.92  3.000
 2H1  CBF  CBA  CBB  119.05  3.000
 2H1  CBF  CBA  CAZ  120.45  3.000
 2H1  CBB  CBA  CAZ  120.49  3.000
 2H1  H20  CBB  CBC  119.74  3.000
 2H1  H20  CBB  CBA  119.67  3.000
 2H1  CBC  CBB  CBA  120.58  3.000
 2H1  H21  CBC  CBD  120.15  3.000
 2H1  H21  CBC  CBB  119.86  3.000
 2H1  CBD  CBC  CBB  119.99  3.000
 2H1  H22  CBD  CBE  120.08  3.000
 2H1  H22  CBD  CBC  120.11  3.000
 2H1  CBE  CBD  CBC  119.81  3.000
 2H1  H23  CBE  CBF  119.87  3.000
 2H1  H23  CBE  CBD  120.12  3.000
 2H1  CBF  CBE  CBD  120.02  3.000
 2H1  H24  CBF  CBE  119.74  3.000
 2H1  H24  CBF  CBA  119.71  3.000
 2H1  CBE  CBF  CBA  120.55  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
 2H1  CONST_01  C6   C5   C4   NAG   180.00   0.0  0
 2H1  CONST_02  CAI  C5   C4   NAG     0.00   0.0  0
 2H1  CONST_03  C2   N3   C4   NAG   180.00   0.0  0
 2H1  CONST_04  C5   CAI  NAH  NAG     0.00   0.0  0
 2H1  CONST_05  CAN  CAI  NAH  NAG   180.00   0.0  0
 2H1  CONST_06  C6   C5   CAI  NAH   180.00   0.0  0
 2H1  CONST_07  C4   C5   CAI  NAH     0.00   0.0  0
 2H1  CONST_10  C5   C4   NAG  NAH     0.00   0.0  0
 2H1  CONST_11  N3   C4   NAG  NAH   180.00   0.0  0
 2H1  CONST_12  N1   C6   C5   C4      0.00   0.0  0
 2H1  CONST_13  CAN  CAI  C5   C4    180.00   0.0  0
 2H1  CONST_14  N1   C2   N3   C4      0.00   0.0  0
 2H1  CONST_15  CAI  NAH  NAG  C4      0.00   0.0  0
 2H1  CONST_16  C6   N1   C2   N3      0.00   0.0  0
 2H1  CONST_17  C6   C5   C4   N3      0.00   0.0  0
 2H1  CONST_18  CAI  C5   C4   N3    180.00   0.0  0
 2H1  CONST_19  C5   C6   N1   C2      0.00   0.0  0
 2H1  CONST_20  C5   C4   N3   C2      0.00   0.0  0
 2H1  CONST_21  CAI  C5   C6   N1    180.00   0.0  0
 2H1  CONST_22  CAN  CAI  C5   C6      0.00   0.0  0
 2H1  CONST_25  CAP  CAO  CAN  CAI   180.00   0.0  0
 2H1  CONST_26  CAR  CAS  CAN  CAI   180.00   0.0  0
 2H1  CONST_27  CAQ  CAP  CAO  CAN     0.00   0.0  0
 2H1  CONST_28  CAQ  CAR  CAS  CAN     0.00   0.0  0
 2H1  CONST_29  CAW  CAR  CAS  CAN   180.00   0.0  0
 2H1  CONST_30  NAT  CAQ  CAR  CAS   180.00   0.0  0
 2H1  CONST_31  CAP  CAQ  CAR  CAS     0.00   0.0  0
 2H1  CONST_32  CAV  CAW  CAR  CAS   180.00   0.0  0
 2H1  CONST_33  CAP  CAO  CAN  CAS     0.00   0.0  0
 2H1  CONST_34  NAT  CAQ  CAP  CAO   180.00   0.0  0
 2H1  CONST_35  CAR  CAQ  CAP  CAO     0.00   0.0  0
 2H1  CONST_36  CAR  CAS  CAN  CAO     0.00   0.0  0
 2H1  CONST_37  CAU  NAT  CAQ  CAP   180.00   0.0  0
 2H1  CONST_38  CAW  CAR  CAQ  CAP   180.00   0.0  0
 2H1  CONST_39  CAV  CAU  NAT  CAQ     0.00   0.0  0
 2H1  CONST_40  CAV  CAW  CAR  CAQ     0.00   0.0  0
 2H1  CONST_41  CAW  CAV  CAU  NAT     0.00   0.0  0
 2H1  CONST_42  CAW  CAR  CAQ  NAT     0.00   0.0  0
 2H1  CONST_43  CAU  NAT  CAQ  CAR     0.00   0.0  0
 2H1  CONST_44  CAU  CAV  CAW  CAR     0.00   0.0  0
 2H1  CONST_45  CBD  CBC  CBB  CBA     0.00   0.0  0
 2H1  CONST_46  CBD  CBE  CBF  CBA     0.00   0.0  0
 2H1  CONST_47  CBE  CBF  CBA  CBB     0.00   0.0  0
 2H1  CONST_48  CBE  CBD  CBC  CBB     0.00   0.0  0
 2H1  CONST_49  CBF  CBA  CBB  CBC     0.00   0.0  0
 2H1  CONST_50  CBF  CBE  CBD  CBC     0.00   0.0  0
 2H1  CONST_51  C5   C4   NAG  CAK   180.00   0.0  0
 2H1  CONST_52  N3   C4   NAG  CAK     0.00   0.0  0
 2H1  CONST_53  CAI  NAH  NAG  CAK   180.00   0.0  0
 2H1  CONST_54  NAJ  C6   C5   C4    180.00   0.0  0
 2H1  CONST_55  NAJ  C6   N1   C2    180.00   0.0  0
 2H1  CONST_56  CAI  C5   C6   NAJ     0.00   0.0  0
 2H1  CONST_57  CAX  CAP  CAO  CAN   180.00   0.0  0
 2H1  CONST_58  NAT  CAQ  CAP  CAX     0.00   0.0  0
 2H1  CONST_59  CAR  CAQ  CAP  CAX   180.00   0.0  0
 2H1  CONST_60  OAY  CAU  NAT  CAQ   180.00   0.0  0
 2H1  CONST_61  OAY  CAU  CAV  CAW   180.00   0.0  0
 2H1  CONST_62  CBC  CBB  CBA  CAZ   180.00   0.0  0
 2H1  CONST_63  CBE  CBF  CBA  CAZ   180.00   0.0  0
 2H1  CONST_64  H8   C2   N3   C4    180.00   0.0  0
 2H1  CONST_65  H12  CAO  CAN  CAI     0.00   0.0  0
 2H1  CONST_66  H11  CAS  CAN  CAI     0.00   0.0  0
 2H1  CONST_67  H16  CAW  CAR  CAS     0.00   0.0  0
 2H1  CONST_68  H17  CAV  CAU  NAT   180.00   0.0  0
 2H1  CONST_69  H21  CBC  CBB  CBA   180.00   0.0  0
 2H1  CONST_70  H23  CBE  CBF  CBA   180.00   0.0  0
 2H1  CONST_71  H24  CBF  CBA  CBB   180.00   0.0  0
 2H1  CONST_72  H22  CBD  CBC  CBB   180.00   0.0  0
 2H1  CONST_73  H20  CBB  CBC  CBD   180.00   0.0  0
 2H1  CONST_74  H9   NAJ  C6   N1      0.00   0.0  0
 2H1  CONST_75  H10  NAJ  C6   N1    180.00   0.0  0
 2H1  Var_01    C4   NAG  CAK  CAL   115.46  30.0  3
 2H1  Var_02    CBA  CAZ  OAY  CAU  -179.57  30.0  1
 2H1  Var_03    CBB  CBA  CAZ  OAY   -91.58  30.0  2
 2H1  Var_04    H13  CAX  CAP  CAO   123.19  30.0  2
 2H1  Var_05    H5   CAM  CAK  NAG   -64.48  30.0  3
 2H1  Var_06    H1   CAL  CAK  NAG  -175.04  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
 2H1  plan-1  CAZ  0.020
 2H1  plan-1  CBA  0.020
 2H1  plan-1  CBB  0.020
 2H1  plan-1  CBC  0.020
 2H1  plan-1  CBD  0.020
 2H1  plan-1  CBE  0.020
 2H1  plan-1  CBF  0.020
 2H1  plan-1  H20  0.020
 2H1  plan-1  H21  0.020
 2H1  plan-1  H22  0.020
 2H1  plan-1  H23  0.020
 2H1  plan-1  H24  0.020
 2H1  plan-2  CAK  0.020
 2H1  plan-2  NAG  0.020
 2H1  plan-2  NAH  0.020
 2H1  plan-2  C4   0.020
 2H1  plan-2  N3   0.020
 2H1  plan-2  C2   0.020
 2H1  plan-2  N1   0.020
 2H1  plan-2  C6   0.020
 2H1  plan-2  NAJ  0.020
 2H1  plan-2  C5   0.020
 2H1  plan-2  CAI  0.020
 2H1  plan-2  CAN  0.020
 2H1  plan-2  H8   0.020
 2H1  plan-3  CAI  0.020
 2H1  plan-3  CAN  0.020
 2H1  plan-3  CAS  0.020
 2H1  plan-3  CAO  0.020
 2H1  plan-3  CAP  0.020
 2H1  plan-3  CAX  0.020
 2H1  plan-3  CAQ  0.020
 2H1  plan-3  NAT  0.020
 2H1  plan-3  CAR  0.020
 2H1  plan-3  CAW  0.020
 2H1  plan-3  CAV  0.020
 2H1  plan-3  CAU  0.020
 2H1  plan-3  OAY  0.020
 2H1  plan-3  H11  0.020
 2H1  plan-3  H12  0.020
 2H1  plan-3  H16  0.020
 2H1  plan-3  H17  0.020
 2H1  plan-4  C6   0.020
 2H1  plan-4  NAJ  0.020
 2H1  plan-4  H9   0.020
 2H1  plan-4  H10  0.020

