# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Thu Jun  4 15:17:28 2020
#   Inital geometry file: a 169 line input string
#   Ligand name: (4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Fc1cc(ccc1NC(=O)CN2C[C@@H](C[C@H]2C(=O)NCC3CC3)NC(=O)c4sc(Cl)cc4)N5C=CC=CC5=O
#
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
 LZI  LZI  (4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide  ligand  66  39  .  2022-09-22  2023-02-15
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_LZI
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
 LZI  O30   O   O     0  -0.503  19.1023   9.7672  30.8488
 LZI  C7    C   CR6   0   0.551  18.4839   9.6010  31.8936
 LZI  C28   C   CR16  0  -0.453  18.8879  10.0778  33.1895
 LZI  C36   C   CR16  0  -0.119  18.1432   9.8465  34.3013
 LZI  C35   C   CR16  0  -0.398  16.9296   9.1215  34.2234
 LZI  C24   C   CR16  0   0.051  16.5361   8.6686  33.0098
 LZI  N2    N   NR6   0  -0.612  17.2778   8.8971  31.8905
 LZI  C8    C   CR6   0   0.281  16.8053   8.3963  30.6405
 LZI  C11   C   CR16  0  -0.413  17.1700   7.1215  30.2350
 LZI  C19   C   CR6   0   0.476  16.6882   6.6542  29.0360
 LZI  F39   F   F     0  -0.312  17.0314   5.4183  28.6359
 LZI  C31   C   CR16  0  -0.255  15.9786   9.1698  29.8473
 LZI  C34   C   CR16  0  -0.323  15.5023   8.6811  28.6393
 LZI  C18   C   CR6   0   0.240  15.8528   7.4028  28.2044
 LZI  N15   N   NH1   0  -0.735  15.4326   6.8164  27.0201
 LZI  C12   C   C     0   0.516  14.7002   7.3456  26.0125
 LZI  O33   O   O     0  -0.467  14.2545   8.4774  25.9801
 LZI  C16   C   CH2   0  -0.398  14.5091   6.3760  24.8511
 LZI  N1    N   NT    0  -0.471  14.7612   5.0109  25.2179
 LZI  C5    C   CH1   0  -0.238  15.5088   4.1630  24.3206
 LZI  C10   C   C     0   0.568  14.9145   4.0682  22.9132
 LZI  N23   N   NH1   0  -0.637  15.7828   3.6846  21.9687
 LZI  O32   O   O     0  -0.493  13.7349   4.3094  22.6940
 LZI  C21   C   CH2   0  -0.242  13.6425   4.2728  25.7923
 LZI  C17   C   CH1   0  -0.093  13.9888   2.7889  25.5585
 LZI  C20   C   CH2   0  -0.476  15.4241   2.8115  25.0279
 LZI  N13   N   NH1   0  -0.672  13.8790   1.9549  26.7332
 LZI  C6    C   C     0   0.565  12.6919   1.5704  27.2219
 LZI  O29   O   O     0  -0.490  11.6212   1.8685  26.7052
 LZI  C3    C   CR5   0  -0.290  12.7078   0.7422  28.4407
 LZI  C14   C   CR15  0  -0.219  13.7269   0.2423  29.2001
 LZI  C22   C   CR15  0  -0.119  13.2738  -0.5168  30.3049
 LZI  C9    C   CR5   0  -0.251  11.9131  -0.5690  30.3451
 LZI  S4    S   S2    0   0.321  11.1670   0.2886  29.0629
 LZI  CL3   CL  CL    0  -0.068  10.9633  -1.3773  31.5076
 LZI  C37   C   CH2   0  -0.266  15.4273   3.4341  20.5864
 LZI  C25   C   CH1   0  -0.282  16.5965   3.7111  19.6839
 LZI  C27   C   CH2   0  -0.491  16.7472   2.9187  18.4242
 LZI  C26   C   CH2   0  -0.487  17.6924   2.6934  19.5650
 LZI  H28   H   HCR6  0   0.276  19.8152  10.6321  33.2413
 LZI  H36   H   HCR6  0   0.281  18.4805  10.2196  35.2598
 LZI  H35   H   HCR6  0   0.280  16.3248   8.9290  35.0960
 LZI  H24   H   HCR6  0   0.313  15.6238   8.1082  32.8628
 LZI  H11   H   HCR6  0   0.296  17.8165   6.4999  30.8407
 LZI  H31   H   HCR6  0   0.277  15.6961  10.1641  30.1666
 LZI  H34   H   HCR6  0   0.298  14.8559   9.2997  28.0396
 LZI  H15   H   HNH1  0   0.414  15.7069   5.8563  26.8325
 LZI  H161  H   HCH2  0   0.262  13.5032   6.5373  24.4491
 LZI  H162  H   HCH2  0   0.290  15.2113   6.6901  24.0728
 LZI  H5    H   HCH1  0   0.290  16.5463   4.5041  24.2532
 LZI  H211  H   HCH2  0   0.232  13.5400   4.4920  26.8593
 LZI  H212  H   HCH2  0   0.235  12.6931   4.5345  25.3156
 LZI  H201  H   HCH2  0   0.275  15.6491   1.9637  24.3821
 LZI  H202  H   HCH2  0   0.264  16.1404   2.8068  25.8534
 LZI  H23   H   HNH1  0   0.402  16.7269   3.4578  22.2429
 LZI  H371  H   HCH2  0   0.235  15.0962   2.3977  20.4566
 LZI  H372  H   HCH2  0   0.254  14.5841   4.0725  20.3222
 LZI  H17   H   HCH1  0   0.278  13.3268   2.3822  24.7935
 LZI  H13   H   HNH1  0   0.407  14.7220   1.7462  27.2441
 LZI  H14   H   HCR5  0   0.281  14.7765   0.3971  28.9916
 LZI  H22   H   HCR5  0   0.297  13.9195  -0.9949  31.0261
 LZI  H25   H   HCH1  0   0.264  16.8986   4.7524  19.6400
 LZI  H271  H   HCH2  0   0.248  16.0091   2.1523  18.2194
 LZI  H272  H   HCH2  0   0.255  17.1157   3.4270  17.5431
 LZI  H261  H   HCH2  0   0.254  18.7101   3.0478  19.4653
 LZI  H262  H   HCH2  0   0.248  17.5976   1.7718  20.1279

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
 LZI  O30  C7    double    1.225  0.020  1.225
 LZI  C7   C28   single    1.439  0.020  1.439
 LZI  C7   N2    single    1.396  0.020  1.396
 LZI  C28  C36   double    1.358  0.020  1.358
 LZI  C36  C35   single    1.416  0.020  1.416
 LZI  C35  C24   double    1.354  0.020  1.354
 LZI  C24  N2    single    1.362  0.020  1.362
 LZI  N2   C8    single    1.427  0.020  1.427
 LZI  C8   C11   aromatic  1.387  0.020  1.387
 LZI  C8   C31   aromatic  1.382  0.020  1.382
 LZI  C11  C19   aromatic  1.374  0.020  1.374
 LZI  C19  F39   single    1.344  0.020  1.344
 LZI  C19  C18   aromatic  1.396  0.020  1.396
 LZI  C31  C34   aromatic  1.387  0.020  1.387
 LZI  C34  C18   aromatic  1.395  0.020  1.395
 LZI  C18  N15   single    1.387  0.020  1.387
 LZI  N15  C12   single    1.353  0.020  1.353
 LZI  C12  O33   double    1.217  0.020  1.217
 LZI  C12  C16   single    1.525  0.020  1.525
 LZI  C16  N1    single    1.436  0.020  1.436
 LZI  N1   C5    single    1.443  0.020  1.443
 LZI  N1   C21   single    1.458  0.020  1.458
 LZI  C5   C10   single    1.531  0.020  1.531
 LZI  C5   C20   single    1.528  0.020  1.528
 LZI  C10  N23   single    1.339  0.020  1.339
 LZI  C10  O32   double    1.224  0.020  1.224
 LZI  N23  C37   single    1.449  0.020  1.449
 LZI  C21  C17   single    1.542  0.020  1.542
 LZI  C17  C20   single    1.530  0.020  1.530
 LZI  C17  N13   single    1.445  0.020  1.445
 LZI  N13  C6    single    1.340  0.020  1.340
 LZI  C6   O29   double    1.226  0.020  1.226
 LZI  C6   C3    single    1.474  0.020  1.474
 LZI  C3   C14   aromatic  1.366  0.020  1.366
 LZI  C3   S4    aromatic  1.723  0.020  1.723
 LZI  C14  C22   aromatic  1.415  0.020  1.415
 LZI  C22  C9    aromatic  1.362  0.020  1.362
 LZI  C9   S4    aromatic  1.714  0.020  1.714
 LZI  C9   CL3   single    1.705  0.020  1.705
 LZI  C37  C25   single    1.503  0.020  1.503
 LZI  C25  C27   single    1.496  0.020  1.496
 LZI  C25  C26   single    1.500  0.020  1.500
 LZI  C27  C26   single    1.499  0.020  1.499
 LZI  C28  H28   single    0.930  0.020  1.080
 LZI  C36  H36   single    0.930  0.020  1.080
 LZI  C35  H35   single    0.930  0.020  1.080
 LZI  C24  H24   single    0.930  0.020  1.080
 LZI  C11  H11   single    0.930  0.020  1.080
 LZI  C31  H31   single    0.930  0.020  1.080
 LZI  C34  H34   single    0.930  0.020  1.080
 LZI  N15  H15   single    0.860  0.020  1.020
 LZI  C16  H161  single    0.970  0.020  1.090
 LZI  C16  H162  single    0.970  0.020  1.090
 LZI  C5   H5    single    0.970  0.020  1.090
 LZI  C21  H211  single    0.970  0.020  1.090
 LZI  C21  H212  single    0.970  0.020  1.090
 LZI  C20  H201  single    0.970  0.020  1.090
 LZI  C20  H202  single    0.970  0.020  1.090
 LZI  N23  H23   single    0.860  0.020  1.020
 LZI  C37  H371  single    0.970  0.020  1.090
 LZI  C37  H372  single    0.970  0.020  1.090
 LZI  C17  H17   single    0.970  0.020  1.090
 LZI  N13  H13   single    0.860  0.020  1.020
 LZI  C14  H14   single    0.930  0.020  1.080
 LZI  C22  H22   single    0.930  0.020  1.080
 LZI  C25  H25   single    0.970  0.020  1.090
 LZI  C27  H271  single    0.970  0.020  1.090
 LZI  C27  H272  single    0.970  0.020  1.090
 LZI  C26  H261  single    0.970  0.020  1.090
 LZI  C26  H262  single    0.970  0.020  1.090

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
 LZI  N2    C7   C28   114.31  3.000
 LZI  N2    C7   O30   120.15  3.000
 LZI  C28   C7   O30   125.54  3.000
 LZI  H28   C28  C36   121.21  3.000
 LZI  H28   C28  C7    116.98  3.000
 LZI  C36   C28  C7    121.80  3.000
 LZI  H36   C36  C35   119.49  3.000
 LZI  H36   C36  C28   119.69  3.000
 LZI  C35   C36  C28   120.82  3.000
 LZI  H35   C35  C24   120.15  3.000
 LZI  H35   C35  C36   121.83  3.000
 LZI  C24   C35  C36   118.02  3.000
 LZI  H24   C24  N2    115.78  3.000
 LZI  H24   C24  C35   122.74  3.000
 LZI  N2    C24  C35   121.48  3.000
 LZI  C8    N2   C24   118.73  3.000
 LZI  C8    N2   C7    117.70  3.000
 LZI  C24   N2   C7    123.57  3.000
 LZI  C31   C8   C11   120.26  3.000
 LZI  C31   C8   N2    120.28  3.000
 LZI  C11   C8   N2    119.45  3.000
 LZI  H11   C11  C19   120.16  3.000
 LZI  H11   C11  C8    121.44  3.000
 LZI  C19   C11  C8    118.40  3.000
 LZI  C18   C19  F39   117.95  3.000
 LZI  C18   C19  C11   123.17  3.000
 LZI  F39   C19  C11   118.88  3.000
 LZI  H31   C31  C34   119.42  3.000
 LZI  H31   C31  C8    120.07  3.000
 LZI  C34   C31  C8    120.52  3.000
 LZI  H34   C34  C18   120.23  3.000
 LZI  H34   C34  C31   119.24  3.000
 LZI  C18   C34  C31   120.53  3.000
 LZI  N15   C18  C34   125.29  3.000
 LZI  N15   C18  C19   117.59  3.000
 LZI  C34   C18  C19   117.12  3.000
 LZI  H15   N15  C12   112.22  3.000
 LZI  H15   N15  C18   118.39  3.000
 LZI  C12   N15  C18   129.38  3.000
 LZI  C16   C12  O33   121.69  3.000
 LZI  C16   C12  N15   112.72  3.000
 LZI  O33   C12  N15   125.57  3.000
 LZI  H162  C16  H161  106.62  3.000
 LZI  H162  C16  N1    109.99  3.000
 LZI  H161  C16  N1    113.27  3.000
 LZI  H162  C16  C12   106.18  3.000
 LZI  H161  C16  C12   107.52  3.000
 LZI  N1    C16  C12   112.83  3.000
 LZI  C21   N1   C5    110.18  3.000
 LZI  C21   N1   C16   116.56  3.000
 LZI  C5    N1   C16   119.39  3.000
 LZI  H5    C5   C20   110.91  3.000
 LZI  H5    C5   C10   109.32  3.000
 LZI  C20   C5   C10   110.45  3.000
 LZI  H5    C5   N1    110.26  3.000
 LZI  C20   C5   N1    101.73  3.000
 LZI  C10   C5   N1    114.01  3.000
 LZI  O32   C10  N23   123.72  3.000
 LZI  O32   C10  C5    121.79  3.000
 LZI  N23   C10  C5    114.49  3.000
 LZI  H23   N23  C37   116.74  3.000
 LZI  H23   N23  C10   118.65  3.000
 LZI  C37   N23  C10   124.28  3.000
 LZI  H212  C21  H211  107.19  3.000
 LZI  H212  C21  C17   111.05  3.000
 LZI  H211  C21  C17   111.21  3.000
 LZI  H212  C21  N1    111.90  3.000
 LZI  H211  C21  N1    110.77  3.000
 LZI  C17   C21  N1    104.78  3.000
 LZI  H17   C17  N13   108.00  3.000
 LZI  H17   C17  C20   109.37  3.000
 LZI  N13   C17  C20   111.21  3.000
 LZI  H17   C17  C21   109.21  3.000
 LZI  N13   C17  C21   114.53  3.000
 LZI  C20   C17  C21   104.42  3.000
 LZI  H202  C20  H201  108.00  3.000
 LZI  H202  C20  C17   110.65  3.000
 LZI  H201  C20  C17   112.82  3.000
 LZI  H202  C20  C5    108.49  3.000
 LZI  H201  C20  C5    113.74  3.000
 LZI  C17   C20  C5    103.04  3.000
 LZI  H13   N13  C6    119.79  3.000
 LZI  H13   N13  C17   117.92  3.000
 LZI  C6    N13  C17   121.97  3.000
 LZI  C3    C6   O29   119.66  3.000
 LZI  C3    C6   N13   116.95  3.000
 LZI  O29   C6   N13   123.39  3.000
 LZI  S4    C3   C14   111.73  3.000
 LZI  S4    C3   C6    115.92  3.000
 LZI  C14   C3   C6    132.35  3.000
 LZI  H14   C14  C22   122.56  3.000
 LZI  H14   C14  C3    124.38  3.000
 LZI  C22   C14  C3    113.06  3.000
 LZI  H22   C22  C9    124.10  3.000
 LZI  H22   C22  C14   124.59  3.000
 LZI  C9    C22  C14   111.31  3.000
 LZI  CL3   C9   S4    120.33  3.000
 LZI  CL3   C9   C22   126.49  3.000
 LZI  S4    C9   C22   113.18  3.000
 LZI  C9    S4   C3     90.72  3.000
 LZI  H372  C37  H371  106.95  3.000
 LZI  H372  C37  C25   110.39  3.000
 LZI  H371  C37  C25   109.77  3.000
 LZI  H372  C37  N23   108.64  3.000
 LZI  H371  C37  N23   110.52  3.000
 LZI  C25   C37  N23   110.50  3.000
 LZI  H25   C25  C26   116.38  3.000
 LZI  H25   C25  C27   116.51  3.000
 LZI  C26   C25  C27    60.02  3.000
 LZI  H25   C25  C37   114.69  3.000
 LZI  C26   C25  C37   119.40  3.000
 LZI  C27   C25  C37   119.11  3.000
 LZI  H272  C27  H271  114.23  3.000
 LZI  H272  C27  C26   118.41  3.000
 LZI  H271  C27  C26   117.85  3.000
 LZI  H272  C27  C25   118.12  3.000
 LZI  H271  C27  C25   117.73  3.000
 LZI  C26   C27  C25    60.14  3.000
 LZI  H262  C26  H261  114.11  3.000
 LZI  H262  C26  C27   117.90  3.000
 LZI  H261  C26  C27   118.28  3.000
 LZI  H262  C26  C25   118.14  3.000
 LZI  H261  C26  C25   118.17  3.000
 LZI  C27   C26  C25    59.84  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
 LZI  CONST_01  C18   C19  C11  C8      0.00   0.0  0
 LZI  CONST_02  C18   C34  C31  C8      0.00   0.0  0
 LZI  CONST_03  C34   C31  C8   C11     0.00   0.0  0
 LZI  CONST_04  C34   C18  C19  C11     0.00   0.0  0
 LZI  CONST_05  C31   C8   C11  C19     0.00   0.0  0
 LZI  CONST_06  C31   C34  C18  C19     0.00   0.0  0
 LZI  CONST_07  C9    C22  C14  C3      0.00   0.0  0
 LZI  CONST_08  C22   C9   S4   C3      0.00   0.0  0
 LZI  CONST_09  C9    S4   C3   C14     0.00   0.0  0
 LZI  CONST_10  S4    C9   C22  C14     0.00   0.0  0
 LZI  CONST_11  S4    C3   C14  C22     0.00   0.0  0
 LZI  CONST_12  C19   C11  C8   N2    180.00   0.0  0
 LZI  CONST_13  C34   C31  C8   N2    180.00   0.0  0
 LZI  CONST_14  C24   N2   C7   C28     0.00   0.0  0
 LZI  CONST_15  C8    N2   C7   C28   180.00   0.0  0
 LZI  CONST_16  F39   C19  C11  C8    180.00   0.0  0
 LZI  CONST_17  N15   C18  C19  C11   180.00   0.0  0
 LZI  CONST_18  C34   C18  C19  F39   180.00   0.0  0
 LZI  CONST_19  N15   C18  C34  C31   180.00   0.0  0
 LZI  CONST_20  C22   C14  C3   C6    180.00   0.0  0
 LZI  CONST_21  C9    S4   C3   C6    180.00   0.0  0
 LZI  CONST_22  CL3   C9   S4   C3    180.00   0.0  0
 LZI  CONST_23  CL3   C9   C22  C14   180.00   0.0  0
 LZI  CONST_24  C24   N2   C7   O30   180.00   0.0  0
 LZI  CONST_25  C8    N2   C7   O30     0.00   0.0  0
 LZI  CONST_26  H11   C11  C8   N2      0.00   0.0  0
 LZI  CONST_27  H31   C31  C8   N2      0.00   0.0  0
 LZI  CONST_28  H34   C34  C31  C8    180.00   0.0  0
 LZI  CONST_29  H22   C22  C14  C3    180.00   0.0  0
 LZI  CONST_30  H14   C14  C22  C9    180.00   0.0  0
 LZI  CONST_31  C3    C6   N13  C17   180.00   0.0  0
 LZI  CONST_32  C12   N15  C18  C19   180.00   0.0  0
 LZI  CONST_33  C12   N15  C18  C34     0.00   0.0  0
 LZI  CONST_34  H15   N15  C18  C19     0.00   0.0  0
 LZI  CONST_35  O33   C12  N15  C18     0.00   0.0  0
 LZI  CONST_36  C16   C12  N15  C18   180.00   0.0  0
 LZI  CONST_37  C37   N23  C10  C5    180.00   0.0  0
 LZI  CONST_38  O29   C6   N13  C17     0.00   0.0  0
 LZI  CONST_39  H23   N23  C10  C5      0.00   0.0  0
 LZI  CONST_40  H13   N13  C6   C3      0.00   0.0  0
 LZI  CONST_41  C37   N23  C10  O32     0.00   0.0  0
 LZI  Var_01    C11   C8   N2   C7     90.63  30.0  2
 LZI  Var_02    C17   C21  N1   C5     17.79  30.0  1
 LZI  Var_03    C26   C27  C25  C37  -109.11  30.0  1
 LZI  Var_04    H261  C26  C27  C25  -107.90  30.0  1
 LZI  Var_05    C5    N1   C16  C12  -137.46  30.0  3
 LZI  Var_06    C27   C25  C37  N23   148.77  30.0  3
 LZI  Var_07    C14   C3   C6   N13    -1.32  30.0  2
 LZI  Var_08    N1    C16  C12  N15    18.38  30.0  3
 LZI  Var_09    C25   C37  N23  C10   151.17  30.0  3

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
 LZI  chir_01  C5   N1   C10  C20  positiv
 LZI  chir_02  C17  N13  C21  C20  negativ
 LZI  chir_03  C25  C37  C27  C26  both

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
 LZI  plan-1  C6   0.020
 LZI  plan-1  C3   0.020
 LZI  plan-1  C14  0.020
 LZI  plan-1  C22  0.020
 LZI  plan-1  C9   0.020
 LZI  plan-1  S4   0.020
 LZI  plan-1  CL3  0.020
 LZI  plan-1  H14  0.020
 LZI  plan-1  H22  0.020
 LZI  plan-2  O30  0.020
 LZI  plan-2  C7   0.020
 LZI  plan-2  C28  0.020
 LZI  plan-2  C36  0.020
 LZI  plan-2  C35  0.020
 LZI  plan-2  C24  0.020
 LZI  plan-2  N2   0.020
 LZI  plan-2  C8   0.020
 LZI  plan-2  H28  0.020
 LZI  plan-2  H36  0.020
 LZI  plan-2  H35  0.020
 LZI  plan-2  H24  0.020
 LZI  plan-3  N2   0.020
 LZI  plan-3  C8   0.020
 LZI  plan-3  C11  0.020
 LZI  plan-3  C19  0.020
 LZI  plan-3  F39  0.020
 LZI  plan-3  C31  0.020
 LZI  plan-3  C34  0.020
 LZI  plan-3  C18  0.020
 LZI  plan-3  N15  0.020
 LZI  plan-3  H11  0.020
 LZI  plan-3  H31  0.020
 LZI  plan-3  H34  0.020
 LZI  plan-4  C17  0.020
 LZI  plan-4  N13  0.020
 LZI  plan-4  C6   0.020
 LZI  plan-4  O29  0.020
 LZI  plan-4  C3   0.020
 LZI  plan-4  H13  0.020
 LZI  plan-5  C18  0.020
 LZI  plan-5  N15  0.020
 LZI  plan-5  C12  0.020
 LZI  plan-5  O33  0.020
 LZI  plan-5  C16  0.020
 LZI  plan-5  H15  0.020
 LZI  plan-6  C5   0.020
 LZI  plan-6  C10  0.020
 LZI  plan-6  N23  0.020
 LZI  plan-6  O32  0.020
 LZI  plan-6  C37  0.020
 LZI  plan-6  H23  0.020

