# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat May 16 00:18:42 2020
#   Inital geometry file: a 175 line input string
#   Ligand name: N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=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
 LDZ  LDZ  N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide  ligand  75  34  .  2021-08-12  2021-08-12  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_LDZ
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
 LDZ  C4   C  CR16  0  -0.297  -7.4060   0.9650   1.5058
 LDZ  C5   C  CR16  0  -0.241  -8.4019   0.3045   2.2142
 LDZ  C6   C  CR16  0  -0.261  -8.7259  -1.0071   1.8960
 LDZ  C1   C  CR16  0  -0.243  -8.0528  -1.6550   0.8668
 LDZ  C2   C  CR16  0  -0.285  -7.0608  -0.9914   0.1598
 LDZ  C3   C  CR6   0   0.076  -6.7295   0.3249   0.4729
 LDZ  C7   C  CH2   0  -0.240  -5.6473   1.0320  -0.2846
 LDZ  O8   O  O2    0  -0.480  -4.3960   0.5927   0.2578
 LDZ  C9   C  C     0   0.765  -3.2891   1.0544  -0.3338
 LDZ  O31  O  O     0  -0.522  -3.2934   1.8137  -1.2822
 LDZ  N10  N  NH1   0  -0.666  -2.1864   0.5551   0.2518
 LDZ  C11  C  CH1   0  -0.197  -0.8594   0.9416  -0.1659
 LDZ  C12  C  C     0   0.556   0.0792  -0.2247   0.1195
 LDZ  O32  O  O     0  -0.484   0.0337  -0.8182   1.1869
 LDZ  C30  C  CH2   0  -0.407  -0.3669   2.1908   0.5802
 LDZ  C31  C  CH1   0  -0.261   1.0067   2.7194   0.1629
 LDZ  C32  C  CH3   0  -0.653   1.0360   3.1606  -1.2974
 LDZ  C33  C  CH3   0  -0.646   1.4043   3.8729   1.0789
 LDZ  N13  N  NH1   0  -0.617   0.9515  -0.4953  -0.8608
 LDZ  C14  C  CH1   0  -0.261   2.0818  -1.3856  -0.7383
 LDZ  C15  C  C     0   0.597   3.3506  -0.5592  -0.9236
 LDZ  O34  O  O     0  -0.487   3.4274   0.2763  -1.8110
 LDZ  C24  C  CH2   0  -0.400   2.0532  -2.4930  -1.7951
 LDZ  C25  C  CH1   0  -0.237   0.8290  -3.4064  -1.7313
 LDZ  C26  C  CH3   0  -0.651   0.8504  -4.3715  -2.9130
 LDZ  C27  C  CH3   0  -0.666   0.7453  -4.1741  -0.4160
 LDZ  N16  N  NH1   0  -0.628   4.3433  -0.8221  -0.0620
 LDZ  C17  C  CH1   0  -0.217   5.6496  -0.2408  -0.1941
 LDZ  C22  C  C1    0   0.198   6.5093  -1.0096  -1.1693
 LDZ  C18  C  CH2   0  -0.442   6.3629  -0.1126   1.1530
 LDZ  C19  C  CH1   0  -0.227   5.5915   0.6924   2.2017
 LDZ  C20  C  CH3   0  -0.652   6.4368   0.8143   3.4660
 LDZ  C21  C  CH3   0  -0.670   5.1775   2.0695   1.6937
 LDZ  O33  O  O     0  -0.364   6.1452  -1.9769  -1.7838
 LDZ  H3   H  HCR6  0   0.256  -7.1572   1.9896   1.7556
 LDZ  H4   H  HCR6  0   0.258  -8.9243   0.8162   3.0120
 LDZ  H5   H  HCR6  0   0.259  -9.5028  -1.5240   2.4442
 LDZ  H1   H  HCR6  0   0.259  -8.3045  -2.6764   0.6126
 LDZ  H2   H  HCR6  0   0.255  -6.5447  -1.4993  -0.6466
 LDZ  H6   H  HCH2  0   0.248  -5.7005   0.7901  -1.3480
 LDZ  H7   H  HCH2  0   0.248  -5.7445   2.1145  -0.1778
 LDZ  H8   H  HNH1  0   0.399  -2.2753   0.0038   1.0923
 LDZ  H9   H  HCH1  0   0.274  -0.8941   1.1436  -1.2373
 LDZ  H34  H  HCH2  0   0.239  -1.1107   2.9797   0.4283
 LDZ  H35  H  HCH2  0   0.235  -0.3640   1.9676   1.6512
 LDZ  H36  H  HCH1  0   0.227   1.7530   1.9275   0.2936
 LDZ  H37  H  HCH3  0   0.218   0.2925   3.9394  -1.4832
 LDZ  H38  H  HCH3  0   0.233   2.0154   3.5629  -1.5593
 LDZ  H39  H  HCH3  0   0.219   0.8342   2.3444  -1.9936
 LDZ  H40  H  HCH3  0   0.227   1.4412   3.5550   2.1224
 LDZ  H41  H  HCH3  0   0.228   2.3881   4.2650   0.8160
 LDZ  H42  H  HCH3  0   0.216   0.6882   4.6951   1.0079
 LDZ  H10  H  HNH1  0   0.404   0.9172   0.0621  -1.7006
 LDZ  H11  H  HCH1  0   0.284   2.0580  -1.8210   0.2611
 LDZ  H25  H  HCH2  0   0.239   2.1062  -2.0305  -2.7860
 LDZ  H26  H  HCH2  0   0.237   2.9627  -3.0942  -1.6870
 LDZ  H27  H  HCH1  0   0.224  -0.0655  -2.7807  -1.8226
 LDZ  H28  H  HCH3  0   0.215   1.7243  -5.0252  -2.8653
 LDZ  H29  H  HCH3  0   0.228  -0.0379  -5.0048  -2.9181
 LDZ  H30  H  HCH3  0   0.226   0.8850  -3.8383  -3.8647
 LDZ  H31  H  HCH3  0   0.215   1.6311  -4.7986  -0.2736
 LDZ  H32  H  HCH3  0   0.231   0.6588  -3.5120   0.4461
 LDZ  H33  H  HCH3  0   0.230  -0.1257  -4.8315  -0.4074
 LDZ  H12  H  HNH1  0   0.408   4.2264  -1.5741   0.5998
 LDZ  H13  H  HCH1  0   0.292   5.5454   0.7619  -0.6224
 LDZ  H23  H  H     0   0.203   7.5283  -0.5998  -1.2873
 LDZ  H14  H  HCH2  0   0.251   6.5828  -1.1093   1.5500
 LDZ  H15  H  HCH2  0   0.245   7.3311   0.3648   0.9714
 LDZ  H16  H  HCH1  0   0.225   4.6813   0.1404   2.4590
 LDZ  H17  H  HCH3  0   0.230   5.8918   1.3358   4.2540
 LDZ  H18  H  HCH3  0   0.227   6.7237  -0.1655   3.8522
 LDZ  H19  H  HCH3  0   0.216   7.3539   1.3750   3.2695
 LDZ  H20  H  HCH3  0   0.231   4.4631   2.0113   0.8705
 LDZ  H21  H  HCH3  0   0.234   4.7002   2.6424   2.4898
 LDZ  H22  H  HCH3  0   0.220   6.0427   2.6408   1.3475

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
 LDZ  C5   C4   aromatic  1.389  0.020  1.389
 LDZ  C5   C6   aromatic  1.388  0.020  1.388
 LDZ  C4   C3   aromatic  1.391  0.020  1.391
 LDZ  C6   C1   aromatic  1.390  0.020  1.390
 LDZ  C3   C7   single    1.498  0.020  1.498
 LDZ  C3   C2   aromatic  1.393  0.020  1.393
 LDZ  C7   O8   single    1.433  0.020  1.433
 LDZ  C1   C2   aromatic  1.387  0.020  1.387
 LDZ  O8   C9   single    1.337  0.020  1.337
 LDZ  O31  C9   double    1.215  0.020  1.215
 LDZ  C9   N10  single    1.345  0.020  1.345
 LDZ  N10  C11  single    1.444  0.020  1.444
 LDZ  C33  C31  single    1.526  0.020  1.526
 LDZ  C31  C30  single    1.530  0.020  1.530
 LDZ  C31  C32  single    1.526  0.020  1.526
 LDZ  C11  C30  single    1.536  0.020  1.536
 LDZ  C11  C12  single    1.524  0.020  1.524
 LDZ  C27  C25  single    1.525  0.020  1.525
 LDZ  C26  C25  single    1.526  0.020  1.526
 LDZ  O32  C12  double    1.222  0.020  1.222
 LDZ  C25  C24  single    1.529  0.020  1.529
 LDZ  C12  N13  single    1.340  0.020  1.340
 LDZ  N13  C14  single    1.444  0.020  1.444
 LDZ  C24  C14  single    1.531  0.020  1.531
 LDZ  C14  C15  single    1.526  0.020  1.526
 LDZ  C15  O34  double    1.221  0.020  1.221
 LDZ  C15  N16  single    1.340  0.020  1.340
 LDZ  N16  C17  single    1.436  0.020  1.436
 LDZ  C17  C22  single    1.510  0.020  1.510
 LDZ  C17  C18  single    1.530  0.020  1.530
 LDZ  O33  C22  double    1.202  0.020  1.202
 LDZ  C19  C21  single    1.525  0.020  1.525
 LDZ  C19  C18  single    1.531  0.020  1.531
 LDZ  C19  C20  single    1.526  0.020  1.526
 LDZ  C1   H1   single    0.930  0.020  1.080
 LDZ  C2   H2   single    0.930  0.020  1.080
 LDZ  C4   H3   single    0.930  0.020  1.080
 LDZ  C5   H4   single    0.930  0.020  1.080
 LDZ  C6   H5   single    0.930  0.020  1.080
 LDZ  C7   H6   single    0.970  0.020  1.090
 LDZ  C7   H7   single    0.970  0.020  1.090
 LDZ  N10  H8   single    0.860  0.020  1.020
 LDZ  C11  H9   single    0.970  0.020  1.090
 LDZ  N13  H10  single    0.860  0.020  1.020
 LDZ  C14  H11  single    0.970  0.020  1.090
 LDZ  N16  H12  single    0.860  0.020  1.020
 LDZ  C17  H13  single    0.970  0.020  1.090
 LDZ  C18  H14  single    0.970  0.020  1.090
 LDZ  C18  H15  single    0.970  0.020  1.090
 LDZ  C19  H16  single    0.970  0.020  1.090
 LDZ  C20  H17  single    0.970  0.020  1.090
 LDZ  C20  H18  single    0.970  0.020  1.090
 LDZ  C20  H19  single    0.970  0.020  1.090
 LDZ  C21  H20  single    0.970  0.020  1.090
 LDZ  C21  H21  single    0.970  0.020  1.090
 LDZ  C21  H22  single    0.970  0.020  1.090
 LDZ  C22  H23  single    0.930  0.020  1.080
 LDZ  C24  H25  single    0.970  0.020  1.090
 LDZ  C24  H26  single    0.970  0.020  1.090
 LDZ  C25  H27  single    0.970  0.020  1.090
 LDZ  C26  H28  single    0.970  0.020  1.090
 LDZ  C26  H29  single    0.970  0.020  1.090
 LDZ  C26  H30  single    0.970  0.020  1.090
 LDZ  C27  H31  single    0.970  0.020  1.090
 LDZ  C27  H32  single    0.970  0.020  1.090
 LDZ  C27  H33  single    0.970  0.020  1.090
 LDZ  C30  H34  single    0.970  0.020  1.090
 LDZ  C30  H35  single    0.970  0.020  1.090
 LDZ  C31  H36  single    0.970  0.020  1.090
 LDZ  C32  H37  single    0.970  0.020  1.090
 LDZ  C32  H38  single    0.970  0.020  1.090
 LDZ  C32  H39  single    0.970  0.020  1.090
 LDZ  C33  H40  single    0.970  0.020  1.090
 LDZ  C33  H41  single    0.970  0.020  1.090
 LDZ  C33  H42  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
 LDZ  H3   C4   C3   119.65  3.000
 LDZ  H3   C4   C5   119.77  3.000
 LDZ  C3   C4   C5   120.57  3.000
 LDZ  H4   C5   C6   120.21  3.000
 LDZ  H4   C5   C4   119.81  3.000
 LDZ  C6   C5   C4   119.98  3.000
 LDZ  H5   C6   C1   120.01  3.000
 LDZ  H5   C6   C5   120.18  3.000
 LDZ  C1   C6   C5   119.81  3.000
 LDZ  H1   C1   C2   119.88  3.000
 LDZ  H1   C1   C6   120.08  3.000
 LDZ  C2   C1   C6   120.04  3.000
 LDZ  H2   C2   C3   119.79  3.000
 LDZ  H2   C2   C1   119.70  3.000
 LDZ  C3   C2   C1   120.51  3.000
 LDZ  C7   C3   C2   120.28  3.000
 LDZ  C2   C3   C4   119.08  3.000
 LDZ  C7   C3   C4   120.64  3.000
 LDZ  H7   C7   H6   108.09  3.000
 LDZ  H7   C7   O8   110.16  3.000
 LDZ  H6   C7   O8   110.07  3.000
 LDZ  H7   C7   C3   110.74  3.000
 LDZ  H6   C7   C3   110.65  3.000
 LDZ  O8   C7   C3   107.14  3.000
 LDZ  C9   O8   C7   116.72  3.000
 LDZ  N10  C9   O31  125.10  3.000
 LDZ  N10  C9   O8   110.97  3.000
 LDZ  O31  C9   O8   123.93  3.000
 LDZ  H8   N10  C11  117.91  3.000
 LDZ  H8   N10  C9   119.56  3.000
 LDZ  C11  N10  C9   121.89  3.000
 LDZ  H9   C11  C30  109.67  3.000
 LDZ  H9   C11  C12  110.20  3.000
 LDZ  C30  C11  C12  109.51  3.000
 LDZ  H9   C11  N10  107.72  3.000
 LDZ  C12  C11  N10  107.88  3.000
 LDZ  C30  C11  N10  111.83  3.000
 LDZ  N13  C12  O32  124.41  3.000
 LDZ  N13  C12  C11  114.75  3.000
 LDZ  O32  C12  C11  120.81  3.000
 LDZ  H35  C30  H34  106.53  3.000
 LDZ  H35  C30  C31  109.58  3.000
 LDZ  H34  C30  C31  108.86  3.000
 LDZ  H35  C30  C11  108.08  3.000
 LDZ  H34  C30  C11  107.50  3.000
 LDZ  C31  C30  C11  115.87  3.000
 LDZ  H36  C31  C33  107.29  3.000
 LDZ  H36  C31  C32  108.06  3.000
 LDZ  C33  C31  C32  110.54  3.000
 LDZ  H36  C31  C30  109.22  3.000
 LDZ  C32  C31  C30  112.23  3.000
 LDZ  C33  C31  C30  109.36  3.000
 LDZ  H39  C32  H38  106.78  3.000
 LDZ  H39  C32  H37  107.38  3.000
 LDZ  H38  C32  H37  107.90  3.000
 LDZ  H39  C32  C31  112.99  3.000
 LDZ  H38  C32  C31  110.72  3.000
 LDZ  H37  C32  C31  110.84  3.000
 LDZ  H42  C33  H41  107.75  3.000
 LDZ  H42  C33  H40  107.66  3.000
 LDZ  H41  C33  H40  107.73  3.000
 LDZ  H42  C33  C31  111.05  3.000
 LDZ  H41  C33  C31  111.22  3.000
 LDZ  H40  C33  C31  111.26  3.000
 LDZ  H10  N13  C14  115.98  3.000
 LDZ  H10  N13  C12  118.39  3.000
 LDZ  C14  N13  C12  124.90  3.000
 LDZ  H11  C14  C24  110.09  3.000
 LDZ  H11  C14  C15  110.23  3.000
 LDZ  C24  C14  C15  108.87  3.000
 LDZ  H11  C14  N13  107.87  3.000
 LDZ  C15  C14  N13  107.87  3.000
 LDZ  C24  C14  N13  111.88  3.000
 LDZ  N16  C15  O34  123.68  3.000
 LDZ  N16  C15  C14  115.57  3.000
 LDZ  O34  C15  C14  120.74  3.000
 LDZ  H26  C24  H25  106.32  3.000
 LDZ  H26  C24  C25  109.44  3.000
 LDZ  H25  C24  C25  109.21  3.000
 LDZ  H26  C24  C14  108.26  3.000
 LDZ  H25  C24  C14  108.56  3.000
 LDZ  C25  C24  C14  114.73  3.000
 LDZ  H27  C25  C27  108.33  3.000
 LDZ  H27  C25  C26  107.95  3.000
 LDZ  C27  C25  C26  110.51  3.000
 LDZ  H27  C25  C24  108.01  3.000
 LDZ  C26  C25  C24  109.53  3.000
 LDZ  C27  C25  C24  112.38  3.000
 LDZ  H30  C26  H29  107.78  3.000
 LDZ  H30  C26  H28  107.76  3.000
 LDZ  H29  C26  H28  107.71  3.000
 LDZ  H30  C26  C25  111.52  3.000
 LDZ  H29  C26  C25  111.06  3.000
 LDZ  H28  C26  C25  110.84  3.000
 LDZ  H33  C27  H32  107.23  3.000
 LDZ  H33  C27  H31  107.55  3.000
 LDZ  H32  C27  H31  107.95  3.000
 LDZ  H33  C27  C25  110.72  3.000
 LDZ  H32  C27  C25  112.36  3.000
 LDZ  H31  C27  C25  110.82  3.000
 LDZ  H12  N16  C17  117.88  3.000
 LDZ  H12  N16  C15  118.82  3.000
 LDZ  C17  N16  C15  122.36  3.000
 LDZ  H13  C17  C18  108.18  3.000
 LDZ  H13  C17  C22  105.53  3.000
 LDZ  C18  C17  C22  110.23  3.000
 LDZ  H13  C17  N16  108.66  3.000
 LDZ  C18  C17  N16  112.16  3.000
 LDZ  C22  C17  N16  111.79  3.000
 LDZ  H23  C22  O33  121.55  3.000
 LDZ  H23  C22  C17  113.90  3.000
 LDZ  O33  C22  C17  124.55  3.000
 LDZ  H15  C18  H14  106.23  3.000
 LDZ  H15  C18  C19  109.27  3.000
 LDZ  H14  C18  C19  109.36  3.000
 LDZ  H15  C18  C17  107.63  3.000
 LDZ  H14  C18  C17  109.67  3.000
 LDZ  C19  C18  C17  114.36  3.000
 LDZ  H16  C19  C21  107.92  3.000
 LDZ  H16  C19  C20  107.82  3.000
 LDZ  C21  C19  C20  110.75  3.000
 LDZ  H16  C19  C18  108.35  3.000
 LDZ  C20  C19  C18  109.30  3.000
 LDZ  C21  C19  C18  112.55  3.000
 LDZ  H19  C20  H18  107.68  3.000
 LDZ  H19  C20  H17  107.69  3.000
 LDZ  H18  C20  H17  107.75  3.000
 LDZ  H19  C20  C19  110.91  3.000
 LDZ  H18  C20  C19  111.53  3.000
 LDZ  H17  C20  C19  111.10  3.000
 LDZ  H22  C21  H21  107.64  3.000
 LDZ  H22  C21  H20  107.88  3.000
 LDZ  H21  C21  H20  106.97  3.000
 LDZ  H22  C21  C19  111.26  3.000
 LDZ  H21  C21  C19  110.48  3.000
 LDZ  H20  C21  C19  112.38  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
 LDZ  CONST_01  C1   C6   C5   C4      0.00   0.0  0
 LDZ  CONST_02  C1   C2   C3   C4      0.00   0.0  0
 LDZ  CONST_03  C2   C3   C4   C5      0.00   0.0  0
 LDZ  CONST_04  C2   C1   C6   C5      0.00   0.0  0
 LDZ  CONST_05  C3   C4   C5   C6      0.00   0.0  0
 LDZ  CONST_06  C3   C2   C1   C6      0.00   0.0  0
 LDZ  CONST_07  C7   C3   C4   C5    180.00   0.0  0
 LDZ  CONST_08  C7   C3   C2   C1    180.00   0.0  0
 LDZ  CONST_09  H5   C6   C5   C4    180.00   0.0  0
 LDZ  CONST_10  H2   C2   C3   C4    180.00   0.0  0
 LDZ  CONST_11  H1   C1   C6   C5    180.00   0.0  0
 LDZ  CONST_12  H3   C4   C5   C6    180.00   0.0  0
 LDZ  CONST_13  H4   C5   C6   C1    180.00   0.0  0
 LDZ  CONST_14  C14  N13  C12  C11   180.00   0.0  0
 LDZ  CONST_15  C14  N13  C12  O32     0.00   0.0  0
 LDZ  CONST_16  C17  N16  C15  C14   180.00   0.0  0
 LDZ  CONST_17  C17  N16  C15  O34     0.00   0.0  0
 LDZ  CONST_18  H10  N13  C12  C11     0.00   0.0  0
 LDZ  CONST_19  H12  N16  C15  C14     0.00   0.0  0
 LDZ  Var_01    O8   C7   C3   C4     99.42  30.0  2
 LDZ  Var_02    O31  C9   O8   C7      0.29  30.0  3
 LDZ  Var_03    C11  N10  C9   O8   -177.43  30.0  2
 LDZ  Var_04    C33  C31  C30  C11  -174.76  30.0  1
 LDZ  Var_05    C27  C25  C24  C14   -62.37  30.0  2
 LDZ  Var_06    C21  C19  C18  C17   -53.33  30.0  1
 LDZ  Var_07    H40  C33  C31  C30    59.12  30.0  3
 LDZ  Var_08    H37  C32  C31  C30    58.43  30.0  3
 LDZ  Var_09    H31  C27  C25  C24   -59.60  30.0  3
 LDZ  Var_10    H28  C26  C25  C24    62.98  30.0  3
 LDZ  Var_11    H20  C21  C19  C18    65.00  30.0  3
 LDZ  Var_12    H17  C20  C19  C18  -176.82  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
 LDZ  chir_01  C11  N10  C30  C12  negativ
 LDZ  chir_02  C14  N13  C24  C15  negativ
 LDZ  chir_03  C17  N16  C22  C18  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
 LDZ  plan-1  C4   0.020
 LDZ  plan-1  C5   0.020
 LDZ  plan-1  C6   0.020
 LDZ  plan-1  C1   0.020
 LDZ  plan-1  C2   0.020
 LDZ  plan-1  C3   0.020
 LDZ  plan-1  C7   0.020
 LDZ  plan-1  H3   0.020
 LDZ  plan-1  H4   0.020
 LDZ  plan-1  H5   0.020
 LDZ  plan-1  H1   0.020
 LDZ  plan-1  H2   0.020
 LDZ  plan-2  C11  0.020
 LDZ  plan-2  C12  0.020
 LDZ  plan-2  O32  0.020
 LDZ  plan-2  N13  0.020
 LDZ  plan-2  C14  0.020
 LDZ  plan-2  H10  0.020
 LDZ  plan-3  C14  0.020
 LDZ  plan-3  C15  0.020
 LDZ  plan-3  O34  0.020
 LDZ  plan-3  N16  0.020
 LDZ  plan-3  C17  0.020
 LDZ  plan-3  H12  0.020
 LDZ  plan-4  O8   0.020
 LDZ  plan-4  C9   0.020
 LDZ  plan-4  O31  0.020
 LDZ  plan-4  N10  0.020
 LDZ  plan-5  C17  0.020
 LDZ  plan-5  C22  0.020
 LDZ  plan-5  O33  0.020
 LDZ  plan-5  H23  0.020

