# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Mar 25 19:36:32 2022
#   Inital geometry file: a 190 line input string
#   Ligand name: (2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C\C=C\C=C/C(=O)N[C@@H](O)[C@@H]1CC(=C/[C@@H]2CC(=C)C[C@H](CCCC(=O)CC(=C\C=C\C(=O)O1)/C)O2)/C
#
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
 ZPN  ZPN  (2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide  ligand  75  36  .  2022-03-29  2022-03-29
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_ZPN
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
 ZPN  C1    C  C     0   0.612   -0.4928   0.1187  -0.7095
 ZPN  O1    O  O     0  -0.455   -0.2569   0.1993  -1.8926
 ZPN  C2    C  C1    0  -0.429   -0.0333   1.0666   0.3116
 ZPN  C3    C  C1    0  -0.185    0.7959   2.0657  -0.0220
 ZPN  C4    C  C1    0  -0.284    1.2959   3.0466   0.9093
 ZPN  C5    C  C     0   0.093    2.1925   4.0077   0.6243
 ZPN  C21   C  CH3   0  -0.709    2.6043   5.0068   1.6589
 ZPN  C6    C  CH2   0  -0.639    2.8328   4.1952  -0.7210
 ZPN  C7    C  C     0   0.420    4.3374   3.9633  -0.7376
 ZPN  O7    O  O     0  -0.393    5.0560   4.6732  -1.4041
 ZPN  C8    C  CH2   0  -0.561    4.8818   2.8022   0.0531
 ZPN  C9    C  CH2   0  -0.443    4.4068   1.4359  -0.4552
 ZPN  C10   C  CH2   0  -0.466    5.1278   0.3185   0.2876
 ZPN  C11   C  CH1   0   0.084    4.7761  -1.0831  -0.1740
 ZPN  C12   C  CH2   0  -0.547    5.6489  -2.1433   0.5468
 ZPN  C13   C  C     0   0.205    4.7731  -3.1509   1.2227
 ZPN  C22   C  C2    0  -0.617    4.8970  -3.4865   2.5034
 ZPN  C14   C  CH2   0  -0.549    3.7210  -3.7195   0.3218
 ZPN  C15   C  CH1   0   0.023    2.9784  -2.5698  -0.4181
 ZPN  O11   O  O2    0  -0.488    3.4027  -1.3110   0.0722
 ZPN  C16   C  C1    0  -0.285    1.5059  -2.6922  -0.2023
 ZPN  C17   C  C     0   0.094    0.5762  -2.9610  -1.1206
 ZPN  C23   C  CH3   0  -0.730    0.8187  -3.0973  -2.5936
 ZPN  C18   C  CH2   0  -0.500   -0.8594  -3.1502  -0.7039
 ZPN  C19   C  CH1   0  -0.068   -1.7127  -1.9149  -0.9773
 ZPN  O19   O  O2    0  -0.473   -1.2302  -0.8485  -0.1629
 ZPN  C20   C  CH1   0   0.214   -3.1833  -2.1239  -0.5990
 ZPN  O20   O  OH1   0  -0.646   -3.7317  -3.2099  -1.2916
 ZPN  N20   N  NH1   0  -0.692   -3.9072  -0.9010  -0.8046
 ZPN  C1'   C  C     0   0.565   -5.0122  -0.5684  -0.0887
 ZPN  O1'   O  O     0  -0.493   -5.4446  -1.2864   0.8033
 ZPN  C2'   C  C1    0  -0.415   -5.6044   0.7235  -0.4829
 ZPN  C3'   C  C1    0  -0.190   -6.7556   1.2443  -0.0242
 ZPN  C4'   C  C1    0  -0.258   -7.7008   0.6983   0.9266
 ZPN  C5'   C  C1    0  -0.197   -8.8147   1.3672   1.2535
 ZPN  C6'   C  CH3   0  -0.714   -9.8480   0.8831   2.2072
 ZPN  H21   H  H     0   0.271   -0.3708   0.9285   1.3321
 ZPN  H31   H  H     0   0.274    1.1040   2.1372  -1.0587
 ZPN  H41   H  H     0   0.253    0.9056   2.9963   1.9213
 ZPN  H211  H  HCH3  0   0.254    2.1578   4.7999   2.6298
 ZPN  H212  H  HCH3  0   0.245    3.6898   5.0328   1.7855
 ZPN  H213  H  HCH3  0   0.256    2.3082   6.0126   1.3507
 ZPN  H62   H  HCH2  0   0.292    2.4094   3.5275  -1.4769
 ZPN  H61   H  HCH2  0   0.289    2.6497   5.2129  -1.0763
 ZPN  H81   H  HCH2  0   0.260    5.9721   2.8502   0.0192
 ZPN  H82   H  HCH2  0   0.259    4.5826   2.9094   1.1008
 ZPN  H91   H  HCH2  0   0.251    3.3296   1.3322  -0.3203
 ZPN  H92   H  HCH2  0   0.234    4.6024   1.3491  -1.5281
 ZPN  H102  H  HCH2  0   0.237    6.2071   0.4418   0.1561
 ZPN  H162  H  HCH2  0   0.230    4.9391   0.4007   1.3637
 ZPN  H141  H  HCH1  0   0.203    4.9542  -1.1497  -1.2585
 ZPN  H151  H  HCH2  0   0.251    6.2851  -2.6515  -0.1852
 ZPN  H142  H  HCH2  0   0.249    6.3167  -1.6693   1.2696
 ZPN  H223  H  H     0   0.229    5.6630  -3.0496   3.1326
 ZPN  H222  H  H     0   0.229    4.2415  -4.2145   2.9659
 ZPN  H121  H  HCH2  0   0.253    4.1877  -4.3776  -0.4179
 ZPN  H122  H  HCH2  0   0.252    3.0182  -4.3301   0.8918
 ZPN  H111  H  HCH1  0   0.221    3.2191  -2.6265  -1.4870
 ZPN  H101  H  H     0   0.235    1.1946  -2.6273   0.8385
 ZPN  H231  H  HCH3  0   0.245    1.8347  -2.8551  -2.8964
 ZPN  H232  H  HCH3  0   0.241    0.6053  -4.1169  -2.9234
 ZPN  H233  H  HCH3  0   0.243    0.1466  -2.4427  -3.1519
 ZPN  H181  H  HCH2  0   0.255   -1.2890  -3.9929  -1.2508
 ZPN  H182  H  HCH2  0   0.255   -0.9238  -3.3918   0.3603
 ZPN  H191  H  HCH1  0   0.266   -1.6537  -1.6386  -2.0362
 ZPN  H201  H  HCH1  0   0.254   -3.2517  -2.3852   0.4582
 ZPN  H202  H  HOH1  0   0.449   -3.6962  -3.0315  -2.2390
 ZPN  H203  H  HNH1  0   0.402   -3.6381  -0.3091  -1.5759
 ZPN  H2'1  H  H     0   0.262   -5.0551   1.3041  -1.2151
 ZPN  H3'1  H  H     0   0.260   -7.0277   2.2149  -0.4296
 ZPN  H4'1  H  H     0   0.261   -7.5030  -0.2671   1.3720
 ZPN  H6    H  H     0   0.254   -8.9975   2.3374   0.7977
 ZPN  H7    H  HCH3  0   0.249  -10.8217   0.8132   1.7171
 ZPN  H8    H  HCH3  0   0.243   -9.5999  -0.0942   2.6193
 ZPN  H9    H  HCH3  0   0.249   -9.9714   1.5856   3.0344

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
 ZPN  O7   C7    double  1.210  0.020  1.210
 ZPN  C21  C5    single  1.496  0.020  1.496
 ZPN  C7   C6    single  1.522  0.020  1.522
 ZPN  C7   C8    single  1.507  0.020  1.507
 ZPN  C6   C5    single  1.502  0.020  1.502
 ZPN  C5   C4    double  1.345  0.020  1.345
 ZPN  C8   C9    single  1.533  0.020  1.533
 ZPN  C4   C3    single  1.442  0.020  1.442
 ZPN  C9   C10   single  1.523  0.020  1.523
 ZPN  C10  C11   single  1.517  0.020  1.517
 ZPN  C3   C2    double  1.341  0.020  1.341
 ZPN  C2   C1    single  1.467  0.020  1.467
 ZPN  C11  C12   single  1.551  0.020  1.551
 ZPN  C11  O11   single  1.414  0.020  1.414
 ZPN  C12  C13   single  1.496  0.020  1.496
 ZPN  O11  C15   single  1.416  0.020  1.416
 ZPN  O1   C1    double  1.209  0.020  1.209
 ZPN  C1   O19   single  1.333  0.020  1.333
 ZPN  C13  C22   double  1.330  0.020  1.330
 ZPN  C13  C14   single  1.497  0.020  1.497
 ZPN  O19  C19   single  1.426  0.020  1.426
 ZPN  C15  C14   single  1.556  0.020  1.556
 ZPN  C15  C16   single  1.493  0.020  1.493
 ZPN  C16  C17   double  1.334  0.020  1.334
 ZPN  C17  C23   single  1.499  0.020  1.499
 ZPN  C17  C18   single  1.507  0.020  1.507
 ZPN  C19  C18   single  1.526  0.020  1.526
 ZPN  C19  C20   single  1.533  0.020  1.533
 ZPN  O20  C20   single  1.400  0.020  1.400
 ZPN  C20  N20   single  1.436  0.020  1.436
 ZPN  N20  C1'   single  1.358  0.020  1.358
 ZPN  C2'  C1'   single  1.475  0.020  1.475
 ZPN  C2'  C3'   double  1.344  0.020  1.344
 ZPN  C1'  O1'   double  1.224  0.020  1.224
 ZPN  C3'  C4'   single  1.448  0.020  1.448
 ZPN  C4'  C5'   double  1.340  0.020  1.340
 ZPN  C5'  C6'   single  1.487  0.020  1.487
 ZPN  C2   H21   single  0.930  0.020  1.080
 ZPN  C3   H31   single  0.930  0.020  1.080
 ZPN  C4   H41   single  0.930  0.020  1.080
 ZPN  C21  H211  single  0.970  0.020  1.090
 ZPN  C21  H212  single  0.970  0.020  1.090
 ZPN  C21  H213  single  0.970  0.020  1.090
 ZPN  C6   H62   single  0.970  0.020  1.090
 ZPN  C6   H61   single  0.970  0.020  1.090
 ZPN  C8   H81   single  0.970  0.020  1.090
 ZPN  C8   H82   single  0.970  0.020  1.090
 ZPN  C9   H91   single  0.970  0.020  1.090
 ZPN  C9   H92   single  0.970  0.020  1.090
 ZPN  C10  H102  single  0.970  0.020  1.090
 ZPN  C10  H162  single  0.970  0.020  1.090
 ZPN  C11  H141  single  0.970  0.020  1.090
 ZPN  C12  H151  single  0.970  0.020  1.090
 ZPN  C12  H142  single  0.970  0.020  1.090
 ZPN  C22  H223  single  0.930  0.020  1.080
 ZPN  C22  H222  single  0.930  0.020  1.080
 ZPN  C14  H121  single  0.970  0.020  1.090
 ZPN  C14  H122  single  0.970  0.020  1.090
 ZPN  C15  H111  single  0.970  0.020  1.090
 ZPN  C16  H101  single  0.930  0.020  1.080
 ZPN  C23  H231  single  0.970  0.020  1.090
 ZPN  C23  H232  single  0.970  0.020  1.090
 ZPN  C23  H233  single  0.970  0.020  1.090
 ZPN  C18  H181  single  0.970  0.020  1.090
 ZPN  C18  H182  single  0.970  0.020  1.090
 ZPN  C19  H191  single  0.970  0.020  1.090
 ZPN  C20  H201  single  0.970  0.020  1.090
 ZPN  O20  H202  single  0.850  0.020  0.980
 ZPN  N20  H203  single  0.860  0.020  1.020
 ZPN  C2'  H2'1  single  0.930  0.020  1.080
 ZPN  C3'  H3'1  single  0.930  0.020  1.080
 ZPN  C4'  H4'1  single  0.930  0.020  1.080
 ZPN  C5'  H6    single  0.930  0.020  1.080
 ZPN  C6'  H7    single  0.970  0.020  1.090
 ZPN  C6'  H8    single  0.970  0.020  1.090
 ZPN  C6'  H9    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
 ZPN  O19   C1   C2    110.89  3.000
 ZPN  O19   C1   O1    123.88  3.000
 ZPN  C2    C1   O1    125.23  3.000
 ZPN  H21   C2   C3    121.47  3.000
 ZPN  H21   C2   C1    118.39  3.000
 ZPN  C3    C2   C1    120.14  3.000
 ZPN  H31   C3   C4    118.31  3.000
 ZPN  H31   C3   C2    117.58  3.000
 ZPN  C4    C3   C2    124.11  3.000
 ZPN  H41   C4   C5    118.05  3.000
 ZPN  H41   C4   C3    116.47  3.000
 ZPN  C5    C4   C3    125.48  3.000
 ZPN  C6    C5   C21   114.76  3.000
 ZPN  C6    C5   C4    124.29  3.000
 ZPN  C21   C5   C4    120.94  3.000
 ZPN  H213  C21  H212  106.25  3.000
 ZPN  H213  C21  H211  108.38  3.000
 ZPN  H212  C21  H211  107.97  3.000
 ZPN  H213  C21  C5    110.19  3.000
 ZPN  H212  C21  C5    111.68  3.000
 ZPN  H211  C21  C5    112.15  3.000
 ZPN  H61   C6   H62   106.19  3.000
 ZPN  H61   C6   C7    107.68  3.000
 ZPN  H62   C6   C7    106.38  3.000
 ZPN  H61   C6   C5    109.63  3.000
 ZPN  H62   C6   C5    112.20  3.000
 ZPN  C7    C6   C5    114.34  3.000
 ZPN  C8    C7   O7    121.77  3.000
 ZPN  C8    C7   C6    117.96  3.000
 ZPN  O7    C7   C6    120.23  3.000
 ZPN  H82   C8   H81   107.36  3.000
 ZPN  H82   C8   C9    108.65  3.000
 ZPN  H81   C8   C9    109.77  3.000
 ZPN  H82   C8   C7    109.15  3.000
 ZPN  H81   C8   C7    108.10  3.000
 ZPN  C9    C8   C7    113.63  3.000
 ZPN  H92   C9   H91   106.88  3.000
 ZPN  H92   C9   C10   109.59  3.000
 ZPN  H91   C9   C10   109.72  3.000
 ZPN  H92   C9   C8    109.91  3.000
 ZPN  H91   C9   C8    110.48  3.000
 ZPN  C10   C9   C8    110.21  3.000
 ZPN  H162  C10  H102  106.22  3.000
 ZPN  H162  C10  C11   109.17  3.000
 ZPN  H102  C10  C11   107.23  3.000
 ZPN  H162  C10  C9    110.02  3.000
 ZPN  H102  C10  C9    109.00  3.000
 ZPN  C11   C10  C9    114.82  3.000
 ZPN  H141  C11  O11   108.60  3.000
 ZPN  H141  C11  C12   108.99  3.000
 ZPN  O11   C11  C12   110.83  3.000
 ZPN  H141  C11  C10   108.55  3.000
 ZPN  O11   C11  C10   108.73  3.000
 ZPN  C12   C11  C10   111.08  3.000
 ZPN  H142  C12  H151  106.77  3.000
 ZPN  H142  C12  C13   110.56  3.000
 ZPN  H151  C12  C13   109.24  3.000
 ZPN  H142  C12  C11   110.79  3.000
 ZPN  H151  C12  C11   109.49  3.000
 ZPN  C13   C12  C11   109.93  3.000
 ZPN  C14   C13  C22   123.31  3.000
 ZPN  C14   C13  C12   113.28  3.000
 ZPN  C22   C13  C12   123.40  3.000
 ZPN  H222  C22  H223  116.80  3.000
 ZPN  H222  C22  C13   121.63  3.000
 ZPN  H223  C22  C13   121.57  3.000
 ZPN  H122  C14  H121  106.92  3.000
 ZPN  H122  C14  C15   110.75  3.000
 ZPN  H121  C14  C15   109.05  3.000
 ZPN  H122  C14  C13   110.53  3.000
 ZPN  H121  C14  C13   109.59  3.000
 ZPN  C15   C14  C13   109.93  3.000
 ZPN  H111  C15  C16   110.66  3.000
 ZPN  H111  C15  O11   108.51  3.000
 ZPN  C16   C15  O11   108.56  3.000
 ZPN  H111  C15  C14   108.69  3.000
 ZPN  C16   C15  C14   109.96  3.000
 ZPN  O11   C15  C14   110.44  3.000
 ZPN  C15   O11  C11   111.96  3.000
 ZPN  H101  C16  C17   118.10  3.000
 ZPN  H101  C16  C15   114.55  3.000
 ZPN  C17   C16  C15   127.17  3.000
 ZPN  C18   C17  C23   114.48  3.000
 ZPN  C18   C17  C16   119.93  3.000
 ZPN  C23   C17  C16   125.59  3.000
 ZPN  H233  C23  H232  106.55  3.000
 ZPN  H233  C23  H231  107.41  3.000
 ZPN  H232  C23  H231  107.84  3.000
 ZPN  H233  C23  C17   110.39  3.000
 ZPN  H232  C23  C17   110.48  3.000
 ZPN  H231  C23  C17   113.86  3.000
 ZPN  H182  C18  H181  107.08  3.000
 ZPN  H182  C18  C19   108.68  3.000
 ZPN  H181  C18  C19   108.35  3.000
 ZPN  H182  C18  C17   110.68  3.000
 ZPN  H181  C18  C17   109.45  3.000
 ZPN  C19   C18  C17   112.43  3.000
 ZPN  H191  C19  C20   108.93  3.000
 ZPN  H191  C19  O19   110.19  3.000
 ZPN  C20   C19  O19   106.60  3.000
 ZPN  H191  C19  C18   110.31  3.000
 ZPN  C20   C19  C18   112.45  3.000
 ZPN  O19   C19  C18   108.29  3.000
 ZPN  C19   O19  C1    119.70  3.000
 ZPN  H201  C20  N20   108.12  3.000
 ZPN  H201  C20  O20   105.61  3.000
 ZPN  N20   C20  O20   113.10  3.000
 ZPN  H201  C20  C19   109.39  3.000
 ZPN  N20   C20  C19   109.40  3.000
 ZPN  O20   C20  C19   111.07  3.000
 ZPN  H202  O20  C20   109.15  3.000
 ZPN  H203  N20  C1'   118.45  3.000
 ZPN  H203  N20  C20   118.34  3.000
 ZPN  C1'   N20  C20   122.91  3.000
 ZPN  C2'   C1'  O1'   124.53  3.000
 ZPN  O1'   C1'  N20   121.87  3.000
 ZPN  C2'   C1'  N20   113.60  3.000
 ZPN  H2'1  C2'  C3'   117.20  3.000
 ZPN  H2'1  C2'  C1'   116.50  3.000
 ZPN  C3'   C2'  C1'   126.30  3.000
 ZPN  H3'1  C3'  C4'   114.74  3.000
 ZPN  H3'1  C3'  C2'   115.68  3.000
 ZPN  C4'   C3'  C2'   129.58  3.000
 ZPN  H4'1  C4'  C5'   119.82  3.000
 ZPN  H4'1  C4'  C3'   119.20  3.000
 ZPN  C5'   C4'  C3'   120.98  3.000
 ZPN  H6    C5'  C6'   116.26  3.000
 ZPN  H6    C5'  C4'   118.88  3.000
 ZPN  C6'   C5'  C4'   124.86  3.000
 ZPN  H9    C6'  H8    108.43  3.000
 ZPN  H9    C6'  H7    106.27  3.000
 ZPN  H8    C6'  H7    108.38  3.000
 ZPN  H9    C6'  C5'   110.78  3.000
 ZPN  H8    C6'  C5'   112.11  3.000
 ZPN  H7    C6'  C5'   110.64  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
 ZPN  CONST_01  C2'   C1'  N20  C20   180.00   0.0  0
 ZPN  CONST_02  O1'   C1'  N20  C20     0.00   0.0  0
 ZPN  CONST_03  H203  N20  C1'  O1'   180.00   0.0  0
 ZPN  Var_01    C4    C3   C2   C1    179.76   0.0  0
 ZPN  Var_02    C6    C5   C4   C3     -0.93   0.0  0
 ZPN  Var_03    C18   C17  C16  C15   175.38   0.0  0
 ZPN  Var_04    C5    C4   C3   C2    175.56  30.0  1
 ZPN  Var_05    O19   C1   C2   C3    175.66  30.0  1
 ZPN  Var_06    C7    C6   C5   C4   -115.17  30.0  1
 ZPN  Var_07    C8    C7   C6   C5     41.20  30.0  1
 ZPN  Var_08    C9    C8   C7   C6     64.00  30.0  1
 ZPN  Var_09    C10   C9   C8   C7    173.30  30.0  1
 ZPN  Var_10    C11   C10  C9   C8   -177.65  30.0  1
 ZPN  Var_11    C14   C13  C12  C11    50.42  30.0  1
 ZPN  Var_12    C15   C14  C13  C12   -48.89  30.0  1
 ZPN  Var_13    C19   C18  C17  C16   101.49  30.0  1
 ZPN  Var_14    H21   C2   C3   C4     -1.00   0.0  0
 ZPN  Var_15    H101  C16  C17  C18     0.64   0.0  0
 ZPN  Var_16    H211  C21  C5   C4      4.30  30.0  3
 ZPN  Var_17    H223  C22  C13  C12    -0.93  30.0  2
 ZPN  Var_18    H231  C23  C17  C16    -5.99  30.0  3
 ZPN  Var_19    C4'   C3'  C2'  C1'    -0.95   0.0  2
 ZPN  Var_20    C6'   C5'  C4'  C3'   179.39   0.0  2
 ZPN  Var_21    C3'   C2'  C1'  N20   174.12  30.0  1
 ZPN  Var_22    C5'   C4'  C3'  C2'  -179.26  30.0  2
 ZPN  Var_23    H7    C6'  C5'  C4'  -121.24  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
 ZPN  chir_01  C11  C10  C12  O11  negativ
 ZPN  chir_02  C15  O11  C14  C16  negativ
 ZPN  chir_03  C19  O19  C18  C20  negativ
 ZPN  chir_04  C20  O20  N20  C19  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
 ZPN  plan-1  C20   0.020
 ZPN  plan-1  N20   0.020
 ZPN  plan-1  C1'   0.020
 ZPN  plan-1  O1'   0.020
 ZPN  plan-1  C2'   0.020
 ZPN  plan-1  H203  0.020
 ZPN  plan-2  C3'   0.020
 ZPN  plan-2  C4'   0.020
 ZPN  plan-2  C5'   0.020
 ZPN  plan-2  C6'   0.020
 ZPN  plan-2  H4'1  0.020
 ZPN  plan-2  H6    0.020
 ZPN  plan-3  C6    0.020
 ZPN  plan-3  C7    0.020
 ZPN  plan-3  O7    0.020
 ZPN  plan-3  C8    0.020
 ZPN  plan-4  C3    0.020
 ZPN  plan-4  C4    0.020
 ZPN  plan-4  C5    0.020
 ZPN  plan-4  C21   0.020
 ZPN  plan-4  C6    0.020
 ZPN  plan-4  H41   0.020
 ZPN  plan-5  C1    0.020
 ZPN  plan-5  C2    0.020
 ZPN  plan-5  C3    0.020
 ZPN  plan-5  C4    0.020
 ZPN  plan-5  H21   0.020
 ZPN  plan-5  H31   0.020
 ZPN  plan-6  C1    0.020
 ZPN  plan-6  O1    0.020
 ZPN  plan-6  C2    0.020
 ZPN  plan-6  O19   0.020
 ZPN  plan-7  C15   0.020
 ZPN  plan-7  C16   0.020
 ZPN  plan-7  C17   0.020
 ZPN  plan-7  C23   0.020
 ZPN  plan-7  C18   0.020
 ZPN  plan-7  H101  0.020
 ZPN  plan-8  C1'   0.020
 ZPN  plan-8  C2'   0.020
 ZPN  plan-8  C3'   0.020
 ZPN  plan-8  C4'   0.020
 ZPN  plan-8  H2'1  0.020
 ZPN  plan-8  H3'1  0.020

