# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Jul 31 10:00:21 2022
#   Inital geometry file: a 123 line input string
#   Ligand name: 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1~{R})-1-phenylethyl]benzo[cd]indol-2-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@@H](N1C(=O)c2cccc3c(ccc1c23)c4c(C)onc4C)c5ccccc5
#
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
 H8C  H8C  "6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R)-1-phenylethyl]benzo[cd]indol-2-one"
  ligand  48  28  .  2022-08-10  2022-08-10
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_H8C
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
 H8C  CAG  C  CH3   0  -0.753  -4.6133   8.1517   -7.8648
 H8C  CAE  C  CR5   0   0.418  -4.0453   8.5574   -6.5607
 H8C  OAD  O  O     0  -0.344  -4.8367   9.1997   -5.6996
 H8C  NAC  N  N     0  -0.181  -4.1431   9.4944   -4.5600
 H8C  CAB  C  CR5   0   0.247  -2.9391   9.0353   -4.7342
 H8C  CAF  C  CH3   0  -0.746  -1.8996   9.1554   -3.6792
 H8C  CAA  C  CR5   0  -0.207  -2.8107   8.4154   -6.0127
 H8C  CAH  C  CR6   0  -0.009  -1.6317   7.7551   -6.5787
 H8C  CAM  C  CR16  0  -0.328  -1.6284   6.3981   -6.8205
 H8C  CAL  C  CR16  0  -0.291  -0.5247   5.6806   -7.3570
 H8C  CAK  C  CR56  0   0.438   0.6091   6.3870   -7.6448
 H8C  CAJ  C  C     0  -0.035   0.6135   7.7723   -7.4094
 H8C  CAI  C  CR66  0   0.165  -0.4533   8.4973   -6.8955
 H8C  CAN  C  CR16  0  -0.385  -0.2260   9.8885   -6.7787
 H8C  CAO  C  CR16  0  -0.237   0.9868  10.4389   -7.1459
 H8C  CAP  C  CR16  0  -0.352   2.0510   9.6623   -7.6552
 H8C  CAQ  C  CR56  0  -0.007   1.8384   8.3148   -7.7836
 H8C  CAS  C  CR5   0   0.532   2.6594   7.1828   -8.2807
 H8C  OAU  O  O     0  -0.428   3.7911   7.1967   -8.7135
 H8C  NAR  N  NR5   0  -0.647   1.8599   6.0529   -8.1561
 H8C  CAT  C  CH1   0  -0.174   2.2847   4.7239   -8.5679
 H8C  CAV  C  CH3   0  -0.677   1.6423   4.3330   -9.8923
 H8C  CAW  C  CR6   0   0.106   2.0799   3.7412   -7.4291
 H8C  CAX  C  CR16  0  -0.313   1.3832   2.5493   -7.5870
 H8C  CAY  C  CR16  0  -0.236   1.2157   1.6790   -6.5150
 H8C  CAZ  C  CR16  0  -0.264   1.7437   1.9900   -5.2720
 H8C  CBA  C  CR16  0  -0.241   2.4488   3.1769   -5.1067
 H8C  CBB  C  CR16  0  -0.275   2.6144   4.0416   -6.1763
 H8C  H1   H  HCH3  0   0.269  -5.0667   8.9992   -8.3796
 H8C  H2   H  HCH3  0   0.263  -3.8279   7.7452   -8.4980
 H8C  H3   H  HCH3  0   0.269  -5.3805   7.3859   -7.7422
 H8C  H4   H  HCH3  0   0.262  -2.3207   9.5526   -2.7578
 H8C  H5   H  HCH3  0   0.257  -1.4582   8.1812   -3.4681
 H8C  H6   H  HCH3  0   0.259  -1.0913   9.8143   -3.9974
 H8C  H7   H  HCR6  0   0.258  -2.5186   5.8315   -6.5774
 H8C  H8   H  HCR6  0   0.278  -0.6123   4.6145   -7.5107
 H8C  H9   H  HCR6  0   0.267  -1.0084  10.5397   -6.4090
 H8C  H10  H  HCR6  0   0.271   1.1258  11.5069   -7.0440
 H8C  H11  H  HCR6  0   0.270   2.9861  10.1308   -7.9337
 H8C  H12  H  HCH1  0   0.284   3.3610   4.8086   -8.7364
 H8C  H13  H  HCH3  0   0.247   2.0447   3.3866  -10.2522
 H8C  H14  H  HCH3  0   0.237   0.5592   4.2346   -9.8153
 H8C  H15  H  HCH3  0   0.257   1.8622   5.0917  -10.6424
 H8C  H16  H  HCR6  0   0.259   0.9557   2.2845   -8.5451
 H8C  H17  H  HCR6  0   0.255   0.6661   0.7573   -6.6571
 H8C  H18  H  HCR6  0   0.255   1.6102   1.3140   -4.4375
 H8C  H19  H  HCR6  0   0.255   2.8700   3.4289   -4.1419
 H8C  H20  H  HCR6  0   0.255   3.1648   4.9644   -6.0324

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
 H8C  CAV  CAT  single    1.523  0.020  1.523
 H8C  CAT  NAR  single    1.455  0.020  1.455
 H8C  CAT  CAW  single    1.518  0.020  1.518
 H8C  OAU  CAS  double    1.212  0.020  1.212
 H8C  NAR  CAS  single    1.390  0.020  1.390
 H8C  NAR  CAK  single    1.392  0.020  1.392
 H8C  CAS  CAQ  single    1.484  0.020  1.484
 H8C  CAG  CAE  single    1.479  0.020  1.479
 H8C  CAK  CAL  aromatic  1.366  0.020  1.366
 H8C  CAK  CAJ  aromatic  1.405  0.020  1.405
 H8C  CAQ  CAP  aromatic  1.370  0.020  1.370
 H8C  CAQ  CAJ  aromatic  1.391  0.020  1.391
 H8C  CAX  CAW  aromatic  1.390  0.020  1.390
 H8C  CAX  CAY  aromatic  1.391  0.020  1.391
 H8C  CAW  CBB  aromatic  1.395  0.020  1.395
 H8C  CAL  CAM  aromatic  1.422  0.020  1.422
 H8C  CAP  CAO  aromatic  1.412  0.020  1.412
 H8C  CAJ  CAI  aromatic  1.388  0.020  1.388
 H8C  CAM  CAH  aromatic  1.378  0.020  1.378
 H8C  CAO  CAN  aromatic  1.381  0.020  1.381
 H8C  CAI  CAH  aromatic  1.428  0.020  1.428
 H8C  CAI  CAN  aromatic  1.414  0.020  1.414
 H8C  CAH  CAA  single    1.465  0.020  1.465
 H8C  CAE  CAA  aromatic  1.358  0.020  1.358
 H8C  CAE  OAD  aromatic  1.334  0.020  1.334
 H8C  CAY  CAZ  aromatic  1.386  0.020  1.386
 H8C  CBB  CBA  aromatic  1.385  0.020  1.385
 H8C  CAA  CAB  aromatic  1.427  0.020  1.427
 H8C  OAD  NAC  aromatic  1.366  0.020  1.366
 H8C  CAZ  CBA  aromatic  1.390  0.020  1.390
 H8C  CAB  NAC  aromatic  1.300  0.020  1.300
 H8C  CAB  CAF  single    1.486  0.020  1.486
 H8C  CAG  H1   single    0.970  0.020  1.090
 H8C  CAG  H2   single    0.970  0.020  1.090
 H8C  CAG  H3   single    0.970  0.020  1.090
 H8C  CAF  H4   single    0.970  0.020  1.090
 H8C  CAF  H5   single    0.970  0.020  1.090
 H8C  CAF  H6   single    0.970  0.020  1.090
 H8C  CAM  H7   single    0.930  0.020  1.080
 H8C  CAL  H8   single    0.930  0.020  1.080
 H8C  CAN  H9   single    0.930  0.020  1.080
 H8C  CAO  H10  single    0.930  0.020  1.080
 H8C  CAP  H11  single    0.930  0.020  1.080
 H8C  CAT  H12  single    0.970  0.020  1.090
 H8C  CAV  H13  single    0.970  0.020  1.090
 H8C  CAV  H14  single    0.970  0.020  1.090
 H8C  CAV  H15  single    0.970  0.020  1.090
 H8C  CAX  H16  single    0.930  0.020  1.080
 H8C  CAY  H17  single    0.930  0.020  1.080
 H8C  CAZ  H18  single    0.930  0.020  1.080
 H8C  CBA  H19  single    0.930  0.020  1.080
 H8C  CBB  H20  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
 H8C  H3   CAG  H2   108.12  3.000
 H8C  H3   CAG  H1   107.83  3.000
 H8C  H2   CAG  H1   108.42  3.000
 H8C  H3   CAG  CAE  111.31  3.000
 H8C  H2   CAG  CAE  109.79  3.000
 H8C  H1   CAG  CAE  111.27  3.000
 H8C  CAA  CAE  OAD  109.21  3.000
 H8C  OAD  CAE  CAG  118.25  3.000
 H8C  CAA  CAE  CAG  132.53  3.000
 H8C  NAC  OAD  CAE  109.94  3.000
 H8C  CAB  NAC  OAD  106.39  3.000
 H8C  CAA  CAB  CAF  127.48  3.000
 H8C  CAF  CAB  NAC  121.60  3.000
 H8C  CAA  CAB  NAC  110.91  3.000
 H8C  H6   CAF  H5   107.24  3.000
 H8C  H6   CAF  H4   108.27  3.000
 H8C  H5   CAF  H4   108.60  3.000
 H8C  H6   CAF  CAB  111.11  3.000
 H8C  H5   CAF  CAB  110.40  3.000
 H8C  H4   CAF  CAB  111.10  3.000
 H8C  CAH  CAA  CAB  127.91  3.000
 H8C  CAB  CAA  CAE  103.55  3.000
 H8C  CAH  CAA  CAE  128.52  3.000
 H8C  CAI  CAH  CAM  118.08  3.000
 H8C  CAI  CAH  CAA  121.03  3.000
 H8C  CAM  CAH  CAA  120.89  3.000
 H8C  H7   CAM  CAL  117.32  3.000
 H8C  H7   CAM  CAH  118.28  3.000
 H8C  CAL  CAM  CAH  124.40  3.000
 H8C  H8   CAL  CAK  123.18  3.000
 H8C  H8   CAL  CAM  119.25  3.000
 H8C  CAK  CAL  CAM  117.57  3.000
 H8C  NAR  CAK  CAJ  107.18  3.000
 H8C  CAJ  CAK  CAL  118.49  3.000
 H8C  NAR  CAK  CAL  134.33  3.000
 H8C  CAQ  CAJ  CAI  124.92  3.000
 H8C  CAI  CAJ  CAK  125.06  3.000
 H8C  CAQ  CAJ  CAK  110.01  3.000
 H8C  CAN  CAI  CAJ  114.88  3.000
 H8C  CAN  CAI  CAH  128.71  3.000
 H8C  CAJ  CAI  CAH  116.40  3.000
 H8C  H9   CAN  CAO  119.04  3.000
 H8C  H9   CAN  CAI  120.23  3.000
 H8C  CAO  CAN  CAI  120.73  3.000
 H8C  H10  CAO  CAP  118.68  3.000
 H8C  H10  CAO  CAN  118.76  3.000
 H8C  CAP  CAO  CAN  122.56  3.000
 H8C  H11  CAP  CAQ  122.39  3.000
 H8C  H11  CAP  CAO  120.37  3.000
 H8C  CAQ  CAP  CAO  117.23  3.000
 H8C  CAS  CAQ  CAP  134.08  3.000
 H8C  CAP  CAQ  CAJ  119.67  3.000
 H8C  CAS  CAQ  CAJ  106.25  3.000
 H8C  NAR  CAS  OAU  125.36  3.000
 H8C  NAR  CAS  CAQ  105.77  3.000
 H8C  OAU  CAS  CAQ  128.87  3.000
 H8C  CAT  NAR  CAS  123.33  3.000
 H8C  CAS  NAR  CAK  110.78  3.000
 H8C  CAT  NAR  CAK  125.85  3.000
 H8C  H12  CAT  CAW  107.38  3.000
 H8C  H12  CAT  CAV  107.53  3.000
 H8C  CAW  CAT  CAV  115.43  3.000
 H8C  H12  CAT  NAR  105.09  3.000
 H8C  CAW  CAT  NAR  109.86  3.000
 H8C  CAV  CAT  NAR  110.95  3.000
 H8C  H15  CAV  H14  108.18  3.000
 H8C  H15  CAV  H13  107.64  3.000
 H8C  H14  CAV  H13  108.17  3.000
 H8C  H15  CAV  CAT  109.57  3.000
 H8C  H14  CAV  CAT  112.38  3.000
 H8C  H13  CAV  CAT  110.76  3.000
 H8C  CBB  CAW  CAX  118.62  3.000
 H8C  CBB  CAW  CAT  118.86  3.000
 H8C  CAX  CAW  CAT  122.52  3.000
 H8C  H16  CAX  CAY  118.80  3.000
 H8C  H16  CAX  CAW  120.57  3.000
 H8C  CAY  CAX  CAW  120.63  3.000
 H8C  H17  CAY  CAZ  120.15  3.000
 H8C  H17  CAY  CAX  119.52  3.000
 H8C  CAZ  CAY  CAX  120.33  3.000
 H8C  H18  CAZ  CBA  120.27  3.000
 H8C  H18  CAZ  CAY  120.29  3.000
 H8C  CBA  CAZ  CAY  119.44  3.000
 H8C  H19  CBA  CBB  119.76  3.000
 H8C  H19  CBA  CAZ  120.13  3.000
 H8C  CBB  CBA  CAZ  120.11  3.000
 H8C  H20  CBB  CBA  119.31  3.000
 H8C  H20  CBB  CAW  119.81  3.000
 H8C  CBA  CBB  CAW  120.88  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
 H8C  CONST_03  NAC  CAB  CAA  CAE     0.00   0.0  0
 H8C  CONST_04  CAB  NAC  OAD  CAE     0.00   0.0  0
 H8C  CONST_05  CAH  CAA  CAE  OAD   180.00   0.0  0
 H8C  CONST_06  CAB  CAA  CAE  OAD     0.00   0.0  0
 H8C  CONST_07  CAA  CAB  NAC  OAD     0.00   0.0  0
 H8C  CONST_08  CAA  CAE  OAD  NAC     0.00   0.0  0
 H8C  CONST_09  CAH  CAA  CAB  NAC   180.00   0.0  0
 H8C  CONST_12  CAL  CAM  CAH  CAA   180.00   0.0  0
 H8C  CONST_13  CAJ  CAI  CAH  CAA   180.00   0.0  0
 H8C  CONST_14  CAN  CAI  CAH  CAA     0.00   0.0  0
 H8C  CONST_15  CAK  CAL  CAM  CAH     0.00   0.0  0
 H8C  CONST_16  CAK  CAJ  CAI  CAH     0.00   0.0  0
 H8C  CONST_17  CAQ  CAJ  CAI  CAH   180.00   0.0  0
 H8C  CONST_18  CAO  CAN  CAI  CAH   180.00   0.0  0
 H8C  CONST_19  CAJ  CAK  CAL  CAM     0.00   0.0  0
 H8C  CONST_20  CAJ  CAI  CAH  CAM     0.00   0.0  0
 H8C  CONST_21  CAN  CAI  CAH  CAM   180.00   0.0  0
 H8C  CONST_22  CAQ  CAJ  CAK  CAL   180.00   0.0  0
 H8C  CONST_23  CAI  CAJ  CAK  CAL     0.00   0.0  0
 H8C  CONST_24  CAI  CAH  CAM  CAL     0.00   0.0  0
 H8C  CONST_25  CAQ  CAS  NAR  CAK     0.00   0.0  0
 H8C  CONST_26  CAP  CAQ  CAJ  CAK   180.00   0.0  0
 H8C  CONST_27  CAN  CAI  CAJ  CAK   180.00   0.0  0
 H8C  CONST_28  CAO  CAP  CAQ  CAJ     0.00   0.0  0
 H8C  CONST_29  CAO  CAN  CAI  CAJ     0.00   0.0  0
 H8C  CONST_30  CAP  CAQ  CAJ  CAI     0.00   0.0  0
 H8C  CONST_31  CAP  CAO  CAN  CAI     0.00   0.0  0
 H8C  CONST_32  CAQ  CAP  CAO  CAN     0.00   0.0  0
 H8C  CONST_33  CAQ  CAJ  CAI  CAN     0.00   0.0  0
 H8C  CONST_34  CAZ  CAY  CAX  CAW     0.00   0.0  0
 H8C  CONST_35  CAZ  CBA  CBB  CAW     0.00   0.0  0
 H8C  CONST_36  CBA  CBB  CAW  CAX     0.00   0.0  0
 H8C  CONST_37  CBA  CAZ  CAY  CAX     0.00   0.0  0
 H8C  CONST_38  CBB  CAW  CAX  CAY     0.00   0.0  0
 H8C  CONST_39  CBB  CBA  CAZ  CAY     0.00   0.0  0
 H8C  CONST_40  CAH  CAA  CAE  CAG     0.00   0.0  0
 H8C  CONST_41  CAB  CAA  CAE  CAG   180.00   0.0  0
 H8C  CONST_42  NAC  OAD  CAE  CAG   180.00   0.0  0
 H8C  CONST_43  CAF  CAB  CAA  CAE   180.00   0.0  0
 H8C  CONST_44  CAF  CAB  NAC  OAD   180.00   0.0  0
 H8C  CONST_45  CAH  CAA  CAB  CAF     0.00   0.0  0
 H8C  CONST_46  OAU  CAS  NAR  CAK   180.00   0.0  0
 H8C  CONST_47  CAT  NAR  CAS  CAQ   180.00   0.0  0
 H8C  CONST_48  CAY  CAX  CAW  CAT   180.00   0.0  0
 H8C  CONST_49  CBA  CBB  CAW  CAT   180.00   0.0  0
 H8C  CONST_50  H7   CAM  CAH  CAA     0.00   0.0  0
 H8C  CONST_51  H8   CAL  CAM  CAH   180.00   0.0  0
 H8C  CONST_52  H9   CAN  CAI  CAH     0.00   0.0  0
 H8C  CONST_53  H7   CAM  CAL  CAK   180.00   0.0  0
 H8C  CONST_54  H8   CAL  CAK  CAJ   180.00   0.0  0
 H8C  CONST_55  H11  CAP  CAQ  CAJ   180.00   0.0  0
 H8C  CONST_56  H9   CAN  CAI  CAJ   180.00   0.0  0
 H8C  CONST_57  H7   CAM  CAH  CAI   180.00   0.0  0
 H8C  CONST_58  H10  CAO  CAN  CAI   180.00   0.0  0
 H8C  CONST_59  H11  CAP  CAO  CAN   180.00   0.0  0
 H8C  CONST_60  H9   CAN  CAO  CAP   180.00   0.0  0
 H8C  CONST_61  H10  CAO  CAP  CAQ   180.00   0.0  0
 H8C  CONST_62  H11  CAP  CAQ  CAS     0.00   0.0  0
 H8C  CONST_63  H8   CAL  CAK  NAR     0.00   0.0  0
 H8C  CONST_64  H17  CAY  CAX  CAW   180.00   0.0  0
 H8C  CONST_65  H19  CBA  CBB  CAW   180.00   0.0  0
 H8C  CONST_66  H20  CBB  CAW  CAX   180.00   0.0  0
 H8C  CONST_67  H18  CAZ  CAY  CAX   180.00   0.0  0
 H8C  CONST_68  H19  CBA  CAZ  CAY   180.00   0.0  0
 H8C  CONST_69  H16  CAX  CAY  CAZ   180.00   0.0  0
 H8C  CONST_70  H20  CBB  CBA  CAZ   180.00   0.0  0
 H8C  CONST_71  H17  CAY  CAZ  CBA   180.00   0.0  0
 H8C  CONST_72  H16  CAX  CAW  CBB   180.00   0.0  0
 H8C  CONST_73  H18  CAZ  CBA  CBB   180.00   0.0  0
 H8C  CONST_74  CAT  NAR  CAS  OAU     0.00   0.0  0
 H8C  Var_01    H1   CAG  CAE  OAD    53.54  30.0  2
 H8C  Var_02    H2   CAG  CAE  OAD   173.56  30.0  2
 H8C  Var_03    H3   CAG  CAE  OAD   -66.76  30.0  2
 H8C  Var_04    H4   CAF  CAB  NAC     6.58  30.0  2
 H8C  Var_05    H5   CAF  CAB  NAC   127.13  30.0  2
 H8C  Var_06    H6   CAF  CAB  NAC  -114.02  30.0  2
 H8C  Var_07    H1   CAG  CAE  CAA  -126.10  30.0  2
 H8C  Var_08    H2   CAG  CAE  CAA    -6.08  30.0  2
 H8C  Var_09    H3   CAG  CAE  CAA   113.60  30.0  2
 H8C  Var_10    H4   CAF  CAB  CAA  -172.02  30.0  2
 H8C  Var_11    H5   CAF  CAB  CAA   -51.47  30.0  2
 H8C  Var_12    H6   CAF  CAB  CAA    67.37  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
 H8C  chir_01  CAT  CAV  NAR  CAW  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
 H8C  plan-1  CAG  0.020
 H8C  plan-1  CAE  0.020
 H8C  plan-1  OAD  0.020
 H8C  plan-1  NAC  0.020
 H8C  plan-1  CAB  0.020
 H8C  plan-1  CAF  0.020
 H8C  plan-1  CAA  0.020
 H8C  plan-1  CAH  0.020
 H8C  plan-2  CAT  0.020
 H8C  plan-2  CAW  0.020
 H8C  plan-2  CAX  0.020
 H8C  plan-2  CAY  0.020
 H8C  plan-2  CAZ  0.020
 H8C  plan-2  CBA  0.020
 H8C  plan-2  CBB  0.020
 H8C  plan-2  H16  0.020
 H8C  plan-2  H17  0.020
 H8C  plan-2  H18  0.020
 H8C  plan-2  H19  0.020
 H8C  plan-2  H20  0.020
 H8C  plan-3  CAA  0.020
 H8C  plan-3  CAH  0.020
 H8C  plan-3  CAM  0.020
 H8C  plan-3  CAL  0.020
 H8C  plan-3  CAK  0.020
 H8C  plan-3  CAJ  0.020
 H8C  plan-3  CAI  0.020
 H8C  plan-3  CAN  0.020
 H8C  plan-3  CAO  0.020
 H8C  plan-3  CAP  0.020
 H8C  plan-3  CAQ  0.020
 H8C  plan-3  CAS  0.020
 H8C  plan-3  OAU  0.020
 H8C  plan-3  NAR  0.020
 H8C  plan-3  CAT  0.020
 H8C  plan-3  H7   0.020
 H8C  plan-3  H8   0.020
 H8C  plan-3  H9   0.020
 H8C  plan-3  H10  0.020
 H8C  plan-3  H11  0.020

