# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Jul 29 04:41:36 2022
#   Inital geometry file: a 138 line input string
#   Ligand name: ~{N}-[(3~{S})-1-methyl-2-oxidanylidene-5-phenyl-3~{H}-1,4-benzodiazepin-3-yl]-1~{H}-indole-2-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN1C(=O)[C@@H](NC(=O)c2[nH]c3ccccc3c2)N=C(c4ccccc4)c5ccccc15
#
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
 1OZ  1OZ  "N-[(3S)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide"  ligand  51  31  .  2022-09-22  2022-09-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_1OZ
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
 1OZ  N    N  N     0  -0.375   5.6788  21.5409  54.2172
 1OZ  CA   C  CH1   0  -0.048   6.2255  22.1552  55.3924
 1OZ  C    C  C     0   0.529   5.0545  22.3982  56.3582
 1OZ  O    O  O     0  -0.443   4.8914  21.7413  57.3621
 1OZ  CAD  C  CR16  0  -0.253   3.3732  20.4248  49.9378
 1OZ  CAE  C  CR16  0  -0.241   4.5629  19.9540  50.4814
 1OZ  CAF  C  CR16  0  -0.238   2.7289  21.5070  50.5202
 1OZ  CAG  C  CR16  0  -0.242   4.8492  25.9712  52.7271
 1OZ  CAH  C  CR16  0  -0.252   4.4578  26.4632  53.9672
 1OZ  CAI  C  CR16  0  -0.267  11.6935  17.5182  59.3201
 1OZ  CAJ  C  CR16  0  -0.276  12.0268  18.6221  60.1292
 1OZ  CAK  C  CR16  0  -0.282   5.1033  20.5602  51.6035
 1OZ  CAL  C  CR16  0  -0.285   3.2758  22.1243  51.6357
 1OZ  CAM  C  CR16  0  -0.287   5.0161  24.6106  52.5609
 1OZ  CAN  C  CR16  0  -0.282   4.2561  25.6014  55.0289
 1OZ  CAO  C  CR16  0  -0.335  10.7452  17.6245  58.3266
 1OZ  CAP  C  CR16  0  -0.306  11.4212  19.8486  59.9604
 1OZ  CAQ  C  CR15  0  -0.426   9.1123  19.3256  57.2278
 1OZ  CAV  C  C     0   0.240   5.0275  22.2785  53.4072
 1OZ  CAX  C  CR6   0   0.033   4.4662  21.6546  52.1890
 1OZ  CAY  C  CR5   0   0.262   8.9000  20.6477  57.5239
 1OZ  CAZ  C  CR6   0  -0.017   4.8157  23.7225  53.6208
 1OZ  CBA  C  CR6   0   0.302   4.4432  24.2274  54.8743
 1OZ  CBB  C  CR56  0   0.074  10.1093  18.8591  58.1297
 1OZ  CBC  C  CR56  0   0.354  10.4608  19.9547  58.9515
 1OZ  NAS  N  NH1   0  -0.677   7.1850  21.2576  55.9604
 1OZ  NAT  N  NR15  0  -0.722   9.7144  21.0184  58.5585
 1OZ  NBE  N  NT    0  -0.559   4.1935  23.3786  55.9689
 1OZ  OAB  O  O     0  -0.484   8.0186  22.8154  57.3592
 1OZ  H3   H  HCH1  0   0.292   6.7156  23.1142  55.1764
 1OZ  H4   H  HCH3  0   0.269   2.6138  22.7314  57.1777
 1OZ  H5   H  HCH3  0   0.253   3.3394  24.2561  57.7030
 1OZ  H6   H  HCH3  0   0.262   2.3039  24.2063  56.2659
 1OZ  H7   H  HCR6  0   0.262   2.9520  19.9491  49.0617
 1OZ  H8   H  HCR6  0   0.261   5.0726  19.1145  50.0270
 1OZ  H9   H  HCR6  0   0.261   1.7986  21.8732  50.1063
 1OZ  H10  H  HCR6  0   0.266   5.0195  26.6445  51.8982
 1OZ  H11  H  HCR6  0   0.270   4.3187  27.5263  54.1121
 1OZ  H13  H  HCR6  0   0.253  12.7759  18.5029  60.9014
 1OZ  H14  H  HCR6  0   0.256   6.0313  20.1953  52.0236
 1OZ  H15  H  HCR6  0   0.263   2.7592  22.9640  52.0831
 1OZ  H16  H  HCR6  0   0.270   5.3147  24.2207  51.5964
 1OZ  H17  H  HCR6  0   0.284   3.9655  26.0006  55.9918
 1OZ  H18  H  HCR6  0   0.249  10.4933  16.7720  57.7083
 1OZ  H19  H  HCR6  0   0.262  11.6793  20.6947  60.5843
 1OZ  H20  H  HCR5  0   0.262   8.6241  18.7471  56.4586
 1OZ  H22  H  HNH1  0   0.410   7.1035  20.2833  55.7127
 1OZ  H23  H  HNR5  0   0.409   9.7382  21.9434  58.9581
 1OZ  CAA  C  CH3   0  -0.553   3.0542  23.6634  56.8332
 1OZ  CAU  C  C     0   0.494   7.9994  21.6611  56.9502
 1OZ  H12  H  HCR6  0   0.249  12.1938  16.5732  59.4865

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
 1OZ  CAD  CAE  aromatic  1.390  0.020  1.390
 1OZ  CAD  CAF  aromatic  1.388  0.020  1.388
 1OZ  CAE  CAK  aromatic  1.385  0.020  1.385
 1OZ  CAF  CAL  aromatic  1.387  0.020  1.387
 1OZ  CAK  CAX  aromatic  1.395  0.020  1.395
 1OZ  CAL  CAX  aromatic  1.394  0.020  1.394
 1OZ  CAX  CAV  single    1.479  0.020  1.479
 1OZ  CAM  CAG  aromatic  1.381  0.020  1.381
 1OZ  CAM  CAZ  aromatic  1.397  0.020  1.397
 1OZ  CAG  CAH  aromatic  1.390  0.020  1.390
 1OZ  CAV  CAZ  single    1.475  0.020  1.475
 1OZ  CAV  N    double    1.274  0.020  1.274
 1OZ  CAZ  CBA  aromatic  1.402  0.020  1.402
 1OZ  CAH  CAN  aromatic  1.382  0.020  1.382
 1OZ  N    CA   single    1.434  0.020  1.434
 1OZ  CBA  CAN  aromatic  1.395  0.020  1.395
 1OZ  CBA  NBE  single    1.407  0.020  1.407
 1OZ  CA   NAS  single    1.431  0.020  1.431
 1OZ  CA   C    single    1.537  0.020  1.537
 1OZ  NBE  C    single    1.362  0.020  1.362
 1OZ  NBE  CAA  single    1.458  0.020  1.458
 1OZ  NAS  CAU  single    1.344  0.020  1.344
 1OZ  C    O    double    1.211  0.020  1.211
 1OZ  CAU  OAB  double    1.225  0.020  1.225
 1OZ  CAU  CAY  single    1.472  0.020  1.472
 1OZ  CAQ  CAY  aromatic  1.371  0.020  1.371
 1OZ  CAQ  CBB  aromatic  1.423  0.020  1.423
 1OZ  CAY  NAT  aromatic  1.368  0.020  1.368
 1OZ  CBB  CAO  aromatic  1.403  0.020  1.403
 1OZ  CBB  CBC  aromatic  1.414  0.020  1.414
 1OZ  CAO  CAI  aromatic  1.378  0.020  1.378
 1OZ  NAT  CBC  aromatic  1.358  0.020  1.358
 1OZ  CBC  CAP  aromatic  1.397  0.020  1.397
 1OZ  CAI  CAJ  aromatic  1.409  0.020  1.409
 1OZ  CAP  CAJ  aromatic  1.378  0.020  1.378
 1OZ  CA   H3   single    0.970  0.020  1.090
 1OZ  CAA  H4   single    0.970  0.020  1.090
 1OZ  CAA  H5   single    0.970  0.020  1.090
 1OZ  CAA  H6   single    0.970  0.020  1.090
 1OZ  CAD  H7   single    0.930  0.020  1.080
 1OZ  CAE  H8   single    0.930  0.020  1.080
 1OZ  CAF  H9   single    0.930  0.020  1.080
 1OZ  CAG  H10  single    0.930  0.020  1.080
 1OZ  CAH  H11  single    0.930  0.020  1.080
 1OZ  CAI  H12  single    0.930  0.020  1.080
 1OZ  CAJ  H13  single    0.930  0.020  1.080
 1OZ  CAK  H14  single    0.930  0.020  1.080
 1OZ  CAL  H15  single    0.930  0.020  1.080
 1OZ  CAM  H16  single    0.930  0.020  1.080
 1OZ  CAN  H17  single    0.930  0.020  1.080
 1OZ  CAO  H18  single    0.930  0.020  1.080
 1OZ  CAP  H19  single    0.930  0.020  1.080
 1OZ  CAQ  H20  single    0.930  0.020  1.080
 1OZ  NAS  H22  single    0.860  0.020  1.020
 1OZ  NAT  H23  single    0.860  0.020  1.020

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
 1OZ  CAV  N    CA   117.88  3.000
 1OZ  H3   CA   NAS  109.05  3.000
 1OZ  H3   CA   C    108.99  3.000
 1OZ  NAS  CA   C    111.12  3.000
 1OZ  H3   CA   N    112.52  3.000
 1OZ  C    CA   N    106.98  3.000
 1OZ  NAS  CA   N    108.18  3.000
 1OZ  NBE  C    O    122.86  3.000
 1OZ  O    C    CA   122.54  3.000
 1OZ  NBE  C    CA   114.57  3.000
 1OZ  H7   CAD  CAF  120.12  3.000
 1OZ  H7   CAD  CAE  120.06  3.000
 1OZ  CAF  CAD  CAE  119.82  3.000
 1OZ  H8   CAE  CAK  119.73  3.000
 1OZ  H8   CAE  CAD  120.10  3.000
 1OZ  CAK  CAE  CAD  120.17  3.000
 1OZ  H9   CAF  CAL  119.73  3.000
 1OZ  H9   CAF  CAD  120.18  3.000
 1OZ  CAL  CAF  CAD  120.09  3.000
 1OZ  H10  CAG  CAM  120.15  3.000
 1OZ  H10  CAG  CAH  120.51  3.000
 1OZ  CAM  CAG  CAH  119.34  3.000
 1OZ  H11  CAH  CAN  119.40  3.000
 1OZ  H11  CAH  CAG  120.23  3.000
 1OZ  CAN  CAH  CAG  120.37  3.000
 1OZ  H12  CAI  CAO  119.77  3.000
 1OZ  H12  CAI  CAJ  119.12  3.000
 1OZ  CAO  CAI  CAJ  121.11  3.000
 1OZ  H13  CAJ  CAP  119.30  3.000
 1OZ  H13  CAJ  CAI  119.16  3.000
 1OZ  CAP  CAJ  CAI  121.54  3.000
 1OZ  H14  CAK  CAX  119.55  3.000
 1OZ  H14  CAK  CAE  120.10  3.000
 1OZ  CAX  CAK  CAE  120.34  3.000
 1OZ  H15  CAL  CAX  120.31  3.000
 1OZ  H15  CAL  CAF  119.29  3.000
 1OZ  CAX  CAL  CAF  120.39  3.000
 1OZ  H16  CAM  CAZ  119.11  3.000
 1OZ  H16  CAM  CAG  119.71  3.000
 1OZ  CAZ  CAM  CAG  121.18  3.000
 1OZ  H17  CAN  CBA  119.86  3.000
 1OZ  H17  CAN  CAH  119.52  3.000
 1OZ  CBA  CAN  CAH  120.62  3.000
 1OZ  H18  CAO  CBB  120.49  3.000
 1OZ  H18  CAO  CAI  120.75  3.000
 1OZ  CBB  CAO  CAI  118.77  3.000
 1OZ  H19  CAP  CBC  121.38  3.000
 1OZ  H19  CAP  CAJ  121.35  3.000
 1OZ  CBC  CAP  CAJ  117.27  3.000
 1OZ  H20  CAQ  CBB  126.37  3.000
 1OZ  H20  CAQ  CAY  126.91  3.000
 1OZ  CBB  CAQ  CAY  106.72  3.000
 1OZ  CAZ  CAV  CAX  118.53  3.000
 1OZ  CAZ  CAV  N    123.23  3.000
 1OZ  CAX  CAV  N    118.24  3.000
 1OZ  CAV  CAX  CAL  120.58  3.000
 1OZ  CAV  CAX  CAK  120.21  3.000
 1OZ  CAL  CAX  CAK  119.18  3.000
 1OZ  NAT  CAY  CAU  118.19  3.000
 1OZ  NAT  CAY  CAQ  109.41  3.000
 1OZ  CAU  CAY  CAQ  132.40  3.000
 1OZ  CBA  CAZ  CAV  121.35  3.000
 1OZ  CBA  CAZ  CAM  119.17  3.000
 1OZ  CAV  CAZ  CAM  119.46  3.000
 1OZ  NBE  CBA  CAZ  121.69  3.000
 1OZ  NBE  CBA  CAN  118.94  3.000
 1OZ  CAZ  CBA  CAN  119.30  3.000
 1OZ  CBC  CBB  CAQ  106.77  3.000
 1OZ  CBC  CBB  CAO  119.19  3.000
 1OZ  CAQ  CBB  CAO  134.04  3.000
 1OZ  NAT  CBC  CBB  107.59  3.000
 1OZ  NAT  CBC  CAP  130.29  3.000
 1OZ  CBB  CBC  CAP  122.12  3.000
 1OZ  H22  NAS  CAU  121.32  3.000
 1OZ  H22  NAS  CA   117.02  3.000
 1OZ  CAU  NAS  CA   120.68  3.000
 1OZ  H23  NAT  CBC  126.25  3.000
 1OZ  H23  NAT  CAY  124.24  3.000
 1OZ  CBC  NAT  CAY  109.51  3.000
 1OZ  CBA  NBE  CAA  118.80  3.000
 1OZ  CAA  NBE  C    117.72  3.000
 1OZ  CBA  NBE  C    122.98  3.000
 1OZ  H6   CAA  H5   109.01  3.000
 1OZ  H6   CAA  H4   108.32  3.000
 1OZ  H5   CAA  H4   108.61  3.000
 1OZ  H6   CAA  NBE  109.14  3.000
 1OZ  H5   CAA  NBE  112.00  3.000
 1OZ  H4   CAA  NBE  109.69  3.000
 1OZ  OAB  CAU  NAS  122.58  3.000
 1OZ  OAB  CAU  CAY  120.60  3.000
 1OZ  NAS  CAU  CAY  116.81  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
 1OZ  CONST_01  CAX  CAK  CAE  CAD     0.00   0.0  0
 1OZ  CONST_02  CAX  CAL  CAF  CAD     0.00   0.0  0
 1OZ  CONST_03  CAL  CAF  CAD  CAE     0.00   0.0  0
 1OZ  CONST_04  CAL  CAX  CAK  CAE     0.00   0.0  0
 1OZ  CONST_05  CAK  CAE  CAD  CAF     0.00   0.0  0
 1OZ  CONST_06  CAK  CAX  CAL  CAF     0.00   0.0  0
 1OZ  CONST_07  CBA  CAN  CAH  CAG     0.00   0.0  0
 1OZ  CONST_08  CAZ  CAM  CAG  CAH     0.00   0.0  0
 1OZ  CONST_09  CAQ  CBB  CAO  CAI   180.00   0.0  0
 1OZ  CONST_10  CBC  CBB  CAO  CAI     0.00   0.0  0
 1OZ  CONST_11  CBC  CAP  CAJ  CAI     0.00   0.0  0
 1OZ  CONST_12  CBB  CAO  CAI  CAJ     0.00   0.0  0
 1OZ  CONST_13  CBB  CBC  CAP  CAJ     0.00   0.0  0
 1OZ  CONST_14  NAT  CBC  CAP  CAJ   180.00   0.0  0
 1OZ  CONST_15  CAN  CAH  CAG  CAM     0.00   0.0  0
 1OZ  CONST_16  CAY  CAQ  CBB  CAO   180.00   0.0  0
 1OZ  CONST_17  NAT  CBC  CBB  CAO   180.00   0.0  0
 1OZ  CONST_18  CAP  CBC  CBB  CAO     0.00   0.0  0
 1OZ  CONST_19  CAP  CAJ  CAI  CAO     0.00   0.0  0
 1OZ  CONST_20  CAQ  CBB  CBC  CAP   180.00   0.0  0
 1OZ  CONST_21  CAY  NAT  CBC  CAP   180.00   0.0  0
 1OZ  CONST_22  CBC  NAT  CAY  CAQ     0.00   0.0  0
 1OZ  CONST_23  NAT  CBC  CBB  CAQ     0.00   0.0  0
 1OZ  CONST_24  CBC  CBB  CAQ  CAY     0.00   0.0  0
 1OZ  CONST_25  CBB  CBC  NAT  CAY     0.00   0.0  0
 1OZ  CONST_26  NAT  CAY  CAQ  CBB     0.00   0.0  0
 1OZ  CONST_27  CAV  CAX  CAK  CAE   180.00   0.0  0
 1OZ  CONST_28  CAV  CAX  CAL  CAF   180.00   0.0  0
 1OZ  CONST_29  CBB  CAQ  CAY  CAU   180.00   0.0  0
 1OZ  CONST_30  CBC  NAT  CAY  CAU   180.00   0.0  0
 1OZ  CONST_31  H14  CAK  CAE  CAD   180.00   0.0  0
 1OZ  CONST_32  H15  CAL  CAF  CAD   180.00   0.0  0
 1OZ  CONST_33  H9   CAF  CAD  CAE   180.00   0.0  0
 1OZ  CONST_34  H8   CAE  CAD  CAF   180.00   0.0  0
 1OZ  CONST_35  H17  CAN  CAH  CAG   180.00   0.0  0
 1OZ  CONST_36  H16  CAM  CAG  CAH   180.00   0.0  0
 1OZ  CONST_37  H19  CAP  CAJ  CAI   180.00   0.0  0
 1OZ  CONST_38  H18  CAO  CAI  CAJ   180.00   0.0  0
 1OZ  CONST_39  H7   CAD  CAE  CAK   180.00   0.0  0
 1OZ  CONST_40  H15  CAL  CAX  CAK   180.00   0.0  0
 1OZ  CONST_41  H7   CAD  CAF  CAL   180.00   0.0  0
 1OZ  CONST_42  H14  CAK  CAX  CAL   180.00   0.0  0
 1OZ  CONST_43  H11  CAH  CAG  CAM   180.00   0.0  0
 1OZ  CONST_44  H10  CAG  CAH  CAN   180.00   0.0  0
 1OZ  CONST_45  H20  CAQ  CBB  CAO     0.00   0.0  0
 1OZ  CONST_46  H13  CAJ  CAI  CAO   180.00   0.0  0
 1OZ  CONST_47  H23  NAT  CBC  CAP     0.00   0.0  0
 1OZ  CONST_48  H12  CAI  CAJ  CAP   180.00   0.0  0
 1OZ  CONST_49  H23  NAT  CAY  CAQ   180.00   0.0  0
 1OZ  CONST_50  H18  CAO  CBB  CAQ     0.00   0.0  0
 1OZ  CONST_51  H14  CAK  CAX  CAV     0.00   0.0  0
 1OZ  CONST_52  H15  CAL  CAX  CAV     0.00   0.0  0
 1OZ  CONST_53  H8   CAE  CAK  CAX   180.00   0.0  0
 1OZ  CONST_54  H9   CAF  CAL  CAX   180.00   0.0  0
 1OZ  CONST_55  H10  CAG  CAM  CAZ   180.00   0.0  0
 1OZ  CONST_56  H11  CAH  CAN  CBA   180.00   0.0  0
 1OZ  CONST_57  H12  CAI  CAO  CBB   180.00   0.0  0
 1OZ  CONST_58  H23  NAT  CBC  CBB   180.00   0.0  0
 1OZ  CONST_59  H19  CAP  CBC  CBB   180.00   0.0  0
 1OZ  CONST_60  H20  CAQ  CBB  CBC   180.00   0.0  0
 1OZ  CONST_61  H18  CAO  CBB  CBC   180.00   0.0  0
 1OZ  CONST_62  H13  CAJ  CAP  CBC   180.00   0.0  0
 1OZ  CONST_63  H20  CAQ  CAY  NAT   180.00   0.0  0
 1OZ  CONST_64  H19  CAP  CBC  NAT     0.00   0.0  0
 1OZ  CONST_65  CAY  CAU  NAS  CA    180.00   0.0  0
 1OZ  CONST_66  OAB  CAU  NAS  CA      0.00   0.0  0
 1OZ  CONST_67  H22  NAS  CAU  CAY     0.00   0.0  0
 1OZ  CONST_68  H22  NAS  CAU  OAB   180.00   0.0  0
 1OZ  Var_01    NAS  CAU  CAY  CAQ     1.70  30.0  2
 1OZ  Var_02    OAB  CAU  CAY  CAQ  -177.46  30.0  2
 1OZ  Var_03    NAT  CAY  CAU  NAS  -178.19  30.0  2
 1OZ  Var_04    OAB  CAU  CAY  NAT     2.65  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
 1OZ  chir_01  CA  N  NAS  C  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
 1OZ  plan-1  CAD  0.020
 1OZ  plan-1  CAE  0.020
 1OZ  plan-1  CAF  0.020
 1OZ  plan-1  CAK  0.020
 1OZ  plan-1  CAL  0.020
 1OZ  plan-1  CAV  0.020
 1OZ  plan-1  CAX  0.020
 1OZ  plan-1  H7   0.020
 1OZ  plan-1  H8   0.020
 1OZ  plan-1  H9   0.020
 1OZ  plan-1  H14  0.020
 1OZ  plan-1  H15  0.020
 1OZ  plan-2  CAI  0.020
 1OZ  plan-2  CAJ  0.020
 1OZ  plan-2  CAO  0.020
 1OZ  plan-2  CAP  0.020
 1OZ  plan-2  CAQ  0.020
 1OZ  plan-2  CAY  0.020
 1OZ  plan-2  CBB  0.020
 1OZ  plan-2  CBC  0.020
 1OZ  plan-2  NAT  0.020
 1OZ  plan-2  H13  0.020
 1OZ  plan-2  H18  0.020
 1OZ  plan-2  H19  0.020
 1OZ  plan-2  H20  0.020
 1OZ  plan-2  H23  0.020
 1OZ  plan-2  CAU  0.020
 1OZ  plan-2  H12  0.020
 1OZ  plan-3  CAG  0.020
 1OZ  plan-3  CAH  0.020
 1OZ  plan-3  CAM  0.020
 1OZ  plan-3  CAN  0.020
 1OZ  plan-3  CAV  0.020
 1OZ  plan-3  CAZ  0.020
 1OZ  plan-3  CBA  0.020
 1OZ  plan-3  NBE  0.020
 1OZ  plan-3  H10  0.020
 1OZ  plan-3  H11  0.020
 1OZ  plan-3  H16  0.020
 1OZ  plan-3  H17  0.020
 1OZ  plan-4  CA   0.020
 1OZ  plan-4  C    0.020
 1OZ  plan-4  O    0.020
 1OZ  plan-4  CBA  0.020
 1OZ  plan-4  NBE  0.020
 1OZ  plan-4  CAA  0.020
 1OZ  plan-5  CA   0.020
 1OZ  plan-5  CAY  0.020
 1OZ  plan-5  NAS  0.020
 1OZ  plan-5  OAB  0.020
 1OZ  plan-5  H22  0.020
 1OZ  plan-5  CAU  0.020

