# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Sat May 23 05:51:08 2020
#   Inital geometry file: a 293 line input string
#   Ligand name: N-[(1S,2S,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2S)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-yl)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC[C@H](C)CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C(Cc3cccc4ccccc34)Cc5cccc6ccccc56
#
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
 0ZP  0ZP  N-[(1S,2S,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-{[(2S)-2-methylbutyl]carbamoyl}heptyl]-3-(1H-imidazol-3-ium-4-yl)-N~2~-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]-L-alaninamide  peptide  128  60  .  2022-03-10  2022-03-10
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_0ZP
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
 0ZP  C     C  C     0   0.586    2.6961   1.5348   1.3275
 0ZP  O     O  O     0  -0.476    2.8411   1.8116   2.5072
 0ZP  CA    C  CH1   0  -0.391    3.8479   1.5649   0.3409
 0ZP  CB1   C  CH2   0  -0.535    4.6667   2.8559   0.4818
 0ZP  C1A   C  CR6   0   0.114    5.8113   2.9149  -0.4915
 0ZP  C2A   C  CR16  0  -0.331    7.0948   2.7169  -0.0472
 0ZP  C3A   C  CR16  0  -0.243    8.1913   2.6903  -0.9319
 0ZP  C4A   C  CR16  0  -0.336    7.9940   2.8561  -2.2729
 0ZP  C11   C  CR66  0   0.115    6.6917   3.0741  -2.7805
 0ZP  C5A   C  CR16  0  -0.311    6.4702   3.2512  -4.1665
 0ZP  C6A   C  CR16  0  -0.259    5.2122   3.4716  -4.6552
 0ZP  C7A   C  CR16  0  -0.247    4.1179   3.5406  -3.7709
 0ZP  C8A   C  CR16  0  -0.332    4.3022   3.3711  -2.4253
 0ZP  C12   C  CR66  0   0.092    5.5878   3.1193  -1.8855
 0ZP  CB2   C  CH2   0  -0.523    4.7001   0.3033   0.5833
 0ZP  C1B   C  CR6   0   0.104    3.8849  -0.9549   0.4774
 0ZP  C2B   C  CR16  0  -0.320    3.4778  -1.6021   1.6167
 0ZP  C3B   C  CR16  0  -0.247    2.6250  -2.7222   1.5665
 0ZP  C4B   C  CR16  0  -0.330    2.1810  -3.1910   0.3639
 0ZP  C13   C  CR66  0   0.149    2.5819  -2.5672  -0.8391
 0ZP  C5B   C  CR16  0  -0.316    2.1327  -3.0431  -2.0923
 0ZP  C6B   C  CR16  0  -0.262    2.5212  -2.4370  -3.2548
 0ZP  C7B   C  CR16  0  -0.253    3.3846  -1.3243  -3.2123
 0ZP  C8B   C  CR16  0  -0.334    3.8359  -0.8422  -2.0133
 0ZP  C14   C  CR66  0   0.076    3.4486  -1.4424  -0.7895
 0ZP  N     N  NH1   0  -0.642    1.5190   1.1387   0.8023
 0ZP  CA1   C  CH1   0  -0.201    0.4027   0.7039   1.5984
 0ZP  C1    C  C     0   0.580   -0.2469  -0.4849   0.8895
 0ZP  O1    O  O     0  -0.468   -0.1836  -0.5868  -0.3239
 0ZP  CB    C  CH2   0  -0.536   -0.6622   1.8105   1.7618
 0ZP  CG    C  CR5   0   0.331   -0.0790   3.0331   2.3622
 0ZP  ND1   N  NR15  1  -0.583    0.5922   3.9824   1.6306
 0ZP  CD2   C  CR15  0  -0.097    0.0181   3.4295   3.6565
 0ZP  CE1   C  CR15  0   0.236    1.0856   4.9117   2.4312
 0ZP  NE2   N  NR15  0  -0.538    0.7430   4.5895   3.6640
 0ZP  N1    N  NH1   0  -0.649   -0.9227  -1.3167   1.6930
 0ZP  CA2   C  CH1   0  -0.124   -1.6853  -2.4594   1.2145
 0ZP  CB3   C  CH2   0  -0.411   -1.3275  -3.6822   2.0567
 0ZP  CG1   C  CH1   0  -0.246   -1.9418  -5.0066   1.6047
 0ZP  CD1   C  CH2   0  -0.410   -1.5314  -6.1170   2.5738
 0ZP  CD21  C  CH2   0  -0.436   -1.5474  -5.3795   0.1750
 0ZP  CE11  C  CH2   0  -0.432   -2.0860  -7.4767   2.1643
 0ZP  CE2   C  CH2   0  -0.425   -2.0930  -6.7435  -0.2375
 0ZP  CZ    C  CH2   0  -0.429   -1.6743  -7.8347   0.7407
 0ZP  CH    C  CH1   0   0.048   -3.1961  -2.1523   1.1924
 0ZP  OH    O  OH1   0  -0.657   -3.7358  -2.1346   2.4978
 0ZP  CM    C  CH2   0  -0.448   -3.4927  -0.8907   0.3844
 0ZP  CA21  C  CH1   0  -0.400   -4.9611  -0.6727   0.0180
 0ZP  CB21  C  CH2   0  -0.400   -5.8829  -0.3303   1.2068
 0ZP  CG2   C  CH1   0  -0.237   -5.4585   0.8021   2.1452
 0ZP  CD3   C  CH3   0  -0.669   -5.3398   2.1636   1.4677
 0ZP  CD4   C  CH3   0  -0.648   -6.4459   0.8761   3.3073
 0ZP  C2    C  C     0   0.588   -5.0739   0.3471  -1.1171
 0ZP  O2    O  O     0  -0.500   -4.1296   1.0187  -1.5127
 0ZP  N2    N  NH1   0  -0.646   -6.2959   0.4508  -1.6650
 0ZP  CA3   C  CH2   0  -0.222   -6.6229   1.4002  -2.7058
 0ZP  CB4   C  CH1   0  -0.284   -8.1268   1.6482  -2.8002
 0ZP  CG11  C  CH2   0  -0.412   -8.3933   2.6137  -3.9578
 0ZP  CG21  C  CH3   0  -0.658   -8.6869   2.1692  -1.4797
 0ZP  CD11  C  CH3   0  -0.667   -9.8643   2.7704  -4.3173
 0ZP  HA    H  HCH1  0   0.265    3.4451   1.5127  -0.6744
 0ZP  HB11  H  HCH2  0   0.256    4.0050   3.7179   0.3519
 0ZP  HB12  H  HCH2  0   0.269    5.0566   2.9200   1.4986
 0ZP  H2A   H  HCR6  0   0.252    7.2701   2.5634   1.0110
 0ZP  H3A   H  HCR6  0   0.257    9.1873   2.5278  -0.5411
 0ZP  H4A   H  HCR6  0   0.255    8.8283   2.8256  -2.9632
 0ZP  H5A   H  HCR6  0   0.256    7.3183   3.2103  -4.8392
 0ZP  H6A   H  HCR6  0   0.258    5.0547   3.6011  -5.7180
 0ZP  H7A   H  HCR6  0   0.258    3.1260   3.7334  -4.1580
 0ZP  H8A   H  HCR6  0   0.239    3.4465   3.4500  -1.7682
 0ZP  HB21  H  HCH2  0   0.268    5.5325   0.2952  -0.1236
 0ZP  HB22  H  HCH2  0   0.265    5.1461   0.3662   1.5788
 0ZP  H2B   H  HCR6  0   0.251    3.8028  -1.2322   2.5818
 0ZP  H3B   H  HCR6  0   0.252    2.3192  -3.1991   2.4889
 0ZP  H4B   H  HCR6  0   0.250    1.5100  -4.0407   0.3173
 0ZP  H5B   H  HCR6  0   0.248    1.4704  -3.9006  -2.1185
 0ZP  H6B   H  HCR6  0   0.257    2.1711  -2.8093  -4.2087
 0ZP  H7B   H  HCR6  0   0.256    3.6923  -0.8500  -4.1352
 0ZP  H8B   H  HCR6  0   0.243    4.5054   0.0085  -2.0101
 0ZP  H     H  HNH1  0   0.402    1.4910   0.8526  -0.1666
 0ZP  HA1   H  HCH1  0   0.297    0.7618   0.4147   2.5886
 0ZP  HB2   H  HCH2  0   0.291   -1.1031   2.0429   0.7891
 0ZP  HB3   H  HCH2  0   0.286   -1.4662   1.4518   2.4053
 0ZP  HD1   H  HNR5  0   0.449    0.6861   3.9904   0.6247
 0ZP  HD2   H  HCR5  0   0.328   -0.3561   2.9762   4.5570
 0ZP  HE1   H  HCR5  0   0.361    1.6441   5.7807   2.1302
 0ZP  HE2   H  HNR5  0   0.462    0.9788   5.1316   4.4835
 0ZP  H1    H  HNH1  0   0.403   -0.8279  -1.1981   2.6904
 0ZP  HA2   H  HCH1  0   0.257   -1.3698  -2.6267   0.1832
 0ZP  HB23  H  HCH2  0   0.230   -0.2379  -3.7845   2.0464
 0ZP  HB31  H  HCH2  0   0.229   -1.6062  -3.4999   3.0991
 0ZP  HG    H  HCH1  0   0.217   -3.0356  -4.9256   1.6464
 0ZP  HD12  H  HCH2  0   0.203   -0.4363  -6.1687   2.6110
 0ZP  HD13  H  HCH2  0   0.225   -1.8619  -5.8635   3.5852
 0ZP  HD23  H  HCH2  0   0.229   -1.8959  -4.6224  -0.5322
 0ZP  HD22  H  HCH2  0   0.211   -0.4522  -5.3929   0.1000
 0ZP  HE12  H  HCH2  0   0.225   -1.7477  -8.2454   2.8636
 0ZP  HE13  H  HCH2  0   0.208   -3.1796  -7.4557   2.2302
 0ZP  HE23  H  HCH2  0   0.209   -3.1867  -6.6970  -0.2796
 0ZP  HE22  H  HCH2  0   0.227   -1.7560  -6.9874  -1.2479
 0ZP  HZ2   H  HCH2  0   0.207   -0.5868  -7.9619   0.6985
 0ZP  HZ3   H  HCH2  0   0.226   -2.1102  -8.7930   0.4476
 0ZP  HH    H  HCH1  0   0.232   -3.6835  -2.9951   0.6912
 0ZP  HO    H  HOH1  0   0.440   -3.4230  -1.3480   2.9561
 0ZP  HM1   H  HCH2  0   0.222   -3.1059  -0.0094   0.9055
 0ZP  HM2   H  HCH2  0   0.252   -2.9139  -0.9544  -0.5383
 0ZP  HA21  H  HCH1  0   0.264   -5.3453  -1.6154  -0.3942
 0ZP  HB24  H  HCH2  0   0.215   -6.8860  -0.1022   0.8308
 0ZP  HB25  H  HCH2  0   0.241   -5.9963  -1.2352   1.8046
 0ZP  HG2   H  HCH1  0   0.199   -4.4770   0.5586   2.5660
 0ZP  HD31  H  HCH3  0   0.213   -6.2678   2.4328   0.9568
 0ZP  HD32  H  HCH3  0   0.227   -5.1404   2.9395   2.2097
 0ZP  HD33  H  HCH3  0   0.232   -4.5321   2.2000   0.7380
 0ZP  HD41  H  HCH3  0   0.224   -6.5218  -0.0801   3.8283
 0ZP  HD42  H  HCH3  0   0.226   -6.1440   1.6294   4.0366
 0ZP  HD43  H  HCH3  0   0.213   -7.4450   1.1410   2.9526
 0ZP  HN1   H  HNH1  0   0.394   -7.0146  -0.1913  -1.3722
 0ZP  HA11  H  HCH2  0   0.226   -6.1161   2.3444  -2.4902
 0ZP  HA22  H  HCH2  0   0.233   -6.2488   1.0528  -3.6751
 0ZP  HB    H  HCH1  0   0.224   -8.6163   0.6948  -3.0403
 0ZP  HG11  H  HCH2  0   0.214   -7.9676   3.5921  -3.7101
 0ZP  HG12  H  HCH2  0   0.223   -7.8528   2.2620  -4.8418
 0ZP  HG21  H  HCH3  0   0.236   -9.7516   2.3890  -1.5530
 0ZP  HG22  H  HCH3  0   0.228   -8.5676   1.4476  -0.6710
 0ZP  HG23  H  HCH3  0   0.217   -8.1749   3.0875  -1.1827
 0ZP  HD11  H  HCH3  0   0.218  -10.3085   1.8092  -4.5827
 0ZP  HD21  H  HCH3  0   0.222  -10.4476   3.1888  -3.4968
 0ZP  HD3   H  HCH3  0   0.230   -9.9858   3.4359  -5.1726

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
 0ZP  C     O     double    1.231  0.020  1.231
 0ZP  C     CA    single    1.525  0.021  1.525
 0ZP  CA    CB1   single    1.535  0.020  1.535
 0ZP  CA    CB2   single    1.542  0.020  1.542
 0ZP  CA    HA    single    0.970  0.020  0.970
 0ZP  CB1   C1A   single    1.504  0.020  1.504
 0ZP  CB1   HB11  single    0.970  0.020  1.090
 0ZP  CB1   HB12  single    0.970  0.020  1.090
 0ZP  C1A   C2A   aromatic  1.373  0.020  1.373
 0ZP  C1A   C12   aromatic  1.427  0.020  1.427
 0ZP  C2A   C3A   aromatic  1.409  0.020  1.409
 0ZP  C2A   H2A   single    0.930  0.020  1.080
 0ZP  C3A   C4A   aromatic  1.366  0.020  1.366
 0ZP  C3A   H3A   single    0.930  0.020  1.080
 0ZP  C4A   C11   aromatic  1.415  0.020  1.415
 0ZP  C4A   H4A   single    0.930  0.020  1.080
 0ZP  C11   C5A   aromatic  1.415  0.020  1.415
 0ZP  C11   C12   aromatic  1.422  0.020  1.422
 0ZP  C5A   C6A   aromatic  1.367  0.020  1.367
 0ZP  C5A   H5A   single    0.930  0.020  1.080
 0ZP  C6A   C7A   aromatic  1.409  0.020  1.409
 0ZP  C6A   H6A   single    0.930  0.020  1.080
 0ZP  C7A   C8A   aromatic  1.369  0.020  1.369
 0ZP  C7A   H7A   single    0.930  0.020  1.080
 0ZP  C8A   C12   aromatic  1.417  0.020  1.417
 0ZP  C8A   H8A   single    0.930  0.020  1.080
 0ZP  CB2   C1B   single    1.503  0.020  1.503
 0ZP  CB2   HB21  single    0.970  0.020  1.090
 0ZP  CB2   HB22  single    0.970  0.020  1.090
 0ZP  C1B   C2B   aromatic  1.372  0.020  1.372
 0ZP  C1B   C14   aromatic  1.426  0.020  1.426
 0ZP  C2B   C3B   aromatic  1.409  0.020  1.409
 0ZP  C2B   H2B   single    0.930  0.020  1.080
 0ZP  C3B   C4B   aromatic  1.365  0.020  1.365
 0ZP  C3B   H3B   single    0.930  0.020  1.080
 0ZP  C4B   C13   aromatic  1.413  0.020  1.413
 0ZP  C4B   H4B   single    0.930  0.020  1.080
 0ZP  C13   C5B   aromatic  1.414  0.020  1.414
 0ZP  C13   C14   aromatic  1.421  0.020  1.421
 0ZP  C5B   C6B   aromatic  1.367  0.020  1.367
 0ZP  C5B   H5B   single    0.930  0.020  1.080
 0ZP  C6B   C7B   aromatic  1.409  0.020  1.409
 0ZP  C6B   H6B   single    0.930  0.020  1.080
 0ZP  C7B   C8B   aromatic  1.369  0.020  1.369
 0ZP  C7B   H7B   single    0.930  0.020  1.080
 0ZP  C8B   C14   aromatic  1.417  0.020  1.417
 0ZP  C8B   H8B   single    0.930  0.020  1.080
 0ZP  N     CA1   single    1.438  0.020  1.438
 0ZP  N     H     single    0.860  0.020  0.860
 0ZP  CA1   C1    single    1.529  0.020  1.529
 0ZP  CA1   CB    single    1.544  0.020  1.544
 0ZP  CA1   HA1   single    0.970  0.020  1.090
 0ZP  C1    O1    double    1.219  0.020  1.219
 0ZP  CB    CG    single    1.482  0.020  1.482
 0ZP  CB    HB2   single    0.970  0.020  1.090
 0ZP  CB    HB3   single    0.970  0.020  1.090
 0ZP  CG    ND1   aromatic  1.374  0.020  1.374
 0ZP  CG    CD2   aromatic  1.357  0.020  1.357
 0ZP  ND1   CE1   aromatic  1.322  0.020  1.322
 0ZP  ND1   HD1   single    0.860  0.020  1.020
 0ZP  CD2   NE2   aromatic  1.368  0.020  1.368
 0ZP  CD2   HD2   single    0.930  0.020  1.080
 0ZP  CE1   NE2   aromatic  1.319  0.020  1.319
 0ZP  CE1   HE1   single    0.930  0.020  1.080
 0ZP  NE2   HE2   single    0.860  0.020  1.020
 0ZP  N1    CA2   single    1.455  0.020  1.455
 0ZP  N1    H1    single    0.860  0.020  1.020
 0ZP  CA2   CB3   single    1.527  0.020  1.527
 0ZP  CA2   CH    single    1.542  0.020  1.542
 0ZP  CA2   HA2   single    0.970  0.020  1.090
 0ZP  CB3   CG1   single    1.528  0.020  1.528
 0ZP  CB3   HB23  single    0.970  0.020  1.090
 0ZP  CB3   HB31  single    0.970  0.020  1.090
 0ZP  CG1   CD1   single    1.530  0.020  1.530
 0ZP  CG1   CD21  single    1.529  0.020  1.529
 0ZP  CG1   HG    single    0.970  0.020  1.090
 0ZP  CD1   CE11  single    1.524  0.020  1.524
 0ZP  CD1   HD12  single    0.970  0.020  1.090
 0ZP  CD1   HD13  single    0.970  0.020  1.090
 0ZP  CD21  CE2   single    1.526  0.020  1.526
 0ZP  CD21  HD23  single    0.970  0.020  1.090
 0ZP  CD21  HD22  single    0.970  0.020  1.090
 0ZP  CE11  CZ    single    1.524  0.020  1.524
 0ZP  CE11  HE12  single    0.970  0.020  1.090
 0ZP  CE11  HE13  single    0.970  0.020  1.090
 0ZP  CE2   CZ    single    1.524  0.020  1.524
 0ZP  CE2   HE23  single    0.970  0.020  1.090
 0ZP  CE2   HE22  single    0.970  0.020  1.090
 0ZP  CZ    HZ2   single    0.970  0.020  1.090
 0ZP  CZ    HZ3   single    0.970  0.020  1.090
 0ZP  CH    OH    single    1.413  0.020  1.413
 0ZP  CH    CM    single    1.527  0.020  1.527
 0ZP  CH    HH    single    0.970  0.020  1.090
 0ZP  OH    HO    single    0.850  0.020  0.980
 0ZP  CM    CA21  single    1.529  0.020  1.529
 0ZP  CM    HM1   single    0.970  0.020  1.090
 0ZP  CM    HM2   single    0.970  0.020  1.090
 0ZP  CA21  CB21  single    1.543  0.020  1.543
 0ZP  CA21  C2    single    1.530  0.020  1.530
 0ZP  CA21  HA21  single    0.970  0.020  1.090
 0ZP  CB21  CG2   single    1.531  0.020  1.531
 0ZP  CB21  HB24  single    0.970  0.020  1.090
 0ZP  CB21  HB25  single    0.970  0.020  1.090
 0ZP  CG2   CD3   single    1.525  0.020  1.525
 0ZP  CG2   CD4   single    1.527  0.020  1.527
 0ZP  CG2   HG2   single    0.970  0.020  1.090
 0ZP  CD3   HD31  single    0.970  0.020  1.090
 0ZP  CD3   HD32  single    0.970  0.020  1.090
 0ZP  CD3   HD33  single    0.970  0.020  1.090
 0ZP  CD4   HD41  single    0.970  0.020  1.090
 0ZP  CD4   HD42  single    0.970  0.020  1.090
 0ZP  CD4   HD43  single    0.970  0.020  1.090
 0ZP  C2    O2    double    1.225  0.020  1.225
 0ZP  N2    CA3   single    1.446  0.020  1.446
 0ZP  N2    HN1   single    0.860  0.020  1.020
 0ZP  CA3   CB4   single    1.527  0.020  1.527
 0ZP  CA3   HA11  single    0.970  0.020  1.090
 0ZP  CA3   HA22  single    0.970  0.020  1.090
 0ZP  CB4   CG11  single    1.531  0.020  1.531
 0ZP  CB4   CG21  single    1.526  0.020  1.526
 0ZP  CB4   HB    single    0.970  0.020  1.090
 0ZP  CG11  CD11  single    1.522  0.020  1.522
 0ZP  CG11  HG11  single    0.970  0.020  1.090
 0ZP  CG11  HG12  single    0.970  0.020  1.090
 0ZP  CG21  HG21  single    0.970  0.020  1.090
 0ZP  CG21  HG22  single    0.970  0.020  1.090
 0ZP  CG21  HG23  single    0.970  0.020  1.090
 0ZP  CD11  HD11  single    0.970  0.020  1.090
 0ZP  CD11  HD21  single    0.970  0.020  1.090
 0ZP  CD11  HD3   single    0.970  0.020  1.090
 0ZP  C     N     single    1.348  0.020  1.348
 0ZP  C1    N1    single    1.339  0.020  1.339
 0ZP  C2    N2    single    1.343  0.020  1.343

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
 0ZP  N     C     CA    111.00  2.800
 0ZP  N     C     O     123.15  3.000
 0ZP  CA    C     O     120.80  1.700
 0ZP  HA    CA    CB2   108.09  3.000
 0ZP  HA    CA    CB1   108.78  3.000
 0ZP  CB2   CA    CB1   112.27  3.000
 0ZP  HA    CA    C     110.00  3.000
 0ZP  CB2   CA    C     107.53  3.000
 0ZP  CB1   CA    C     111.23  3.000
 0ZP  HB12  CB1   HB11  106.29  3.000
 0ZP  HB12  CB1   C1A   109.21  3.000
 0ZP  HB11  CB1   C1A   110.64  3.000
 0ZP  HB12  CB1   CA    109.00  3.000
 0ZP  HB11  CB1   CA    109.21  3.000
 0ZP  C1A   CB1   CA    112.31  3.000
 0ZP  C12   C1A   C2A   118.91  3.000
 0ZP  C12   C1A   CB1   121.26  3.000
 0ZP  C2A   C1A   CB1   119.78  3.000
 0ZP  H2A   C2A   C3A   118.98  3.000
 0ZP  H2A   C2A   C1A   119.20  3.000
 0ZP  C3A   C2A   C1A   121.82  3.000
 0ZP  H3A   C3A   C4A   120.39  3.000
 0ZP  H3A   C3A   C2A   119.49  3.000
 0ZP  C4A   C3A   C2A   120.12  3.000
 0ZP  H4A   C4A   C11   118.99  3.000
 0ZP  H4A   C4A   C3A   120.73  3.000
 0ZP  C11   C4A   C3A   120.27  3.000
 0ZP  C12   C11   C5A   119.41  3.000
 0ZP  C12   C11   C4A   119.59  3.000
 0ZP  C5A   C11   C4A   121.00  3.000
 0ZP  H5A   C5A   C6A   120.29  3.000
 0ZP  H5A   C5A   C11   118.75  3.000
 0ZP  C6A   C5A   C11   120.96  3.000
 0ZP  H6A   C6A   C7A   119.85  3.000
 0ZP  H6A   C6A   C5A   120.27  3.000
 0ZP  C7A   C6A   C5A   119.88  3.000
 0ZP  H7A   C7A   C8A   119.82  3.000
 0ZP  H7A   C7A   C6A   119.75  3.000
 0ZP  C8A   C7A   C6A   120.43  3.000
 0ZP  H8A   C8A   C12   119.95  3.000
 0ZP  H8A   C8A   C7A   118.79  3.000
 0ZP  C12   C8A   C7A   121.25  3.000
 0ZP  C8A   C12   C11   118.05  3.000
 0ZP  C8A   C12   C1A   122.68  3.000
 0ZP  C11   C12   C1A   119.27  3.000
 0ZP  HB22  CB2   HB21  106.20  3.000
 0ZP  HB22  CB2   C1B   109.50  3.000
 0ZP  HB21  CB2   C1B   111.20  3.000
 0ZP  HB22  CB2   CA    108.77  3.000
 0ZP  HB21  CB2   CA    109.00  3.000
 0ZP  C1B   CB2   CA    111.98  3.000
 0ZP  C14   C1B   C2B   119.06  3.000
 0ZP  C14   C1B   CB2   120.98  3.000
 0ZP  C2B   C1B   CB2   119.82  3.000
 0ZP  H2B   C2B   C3B   119.00  3.000
 0ZP  H2B   C2B   C1B   119.31  3.000
 0ZP  C3B   C2B   C1B   121.67  3.000
 0ZP  H3B   C3B   C4B   120.50  3.000
 0ZP  H3B   C3B   C2B   119.40  3.000
 0ZP  C4B   C3B   C2B   120.09  3.000
 0ZP  H4B   C4B   C13   119.02  3.000
 0ZP  H4B   C4B   C3B   120.57  3.000
 0ZP  C13   C4B   C3B   120.41  3.000
 0ZP  C14   C13   C5B   119.42  3.000
 0ZP  C14   C13   C4B   119.52  3.000
 0ZP  C5B   C13   C4B   121.06  3.000
 0ZP  H5B   C5B   C6B   120.25  3.000
 0ZP  H5B   C5B   C13   118.81  3.000
 0ZP  C6B   C5B   C13   120.94  3.000
 0ZP  H6B   C6B   C7B   119.77  3.000
 0ZP  H6B   C6B   C5B   120.33  3.000
 0ZP  C7B   C6B   C5B   119.90  3.000
 0ZP  H7B   C7B   C8B   119.92  3.000
 0ZP  H7B   C7B   C6B   119.65  3.000
 0ZP  C8B   C7B   C6B   120.43  3.000
 0ZP  H8B   C8B   C14   119.95  3.000
 0ZP  H8B   C8B   C7B   118.90  3.000
 0ZP  C14   C8B   C7B   121.15  3.000
 0ZP  C8B   C14   C13   118.16  3.000
 0ZP  C8B   C14   C1B   122.61  3.000
 0ZP  C13   C14   C1B   119.23  3.000
 0ZP  H     N     CA1   115.06  3.000
 0ZP  H     N     C     118.73  3.000
 0ZP  CA1   N     C     123.42  3.000
 0ZP  HA1   CA1   CB    108.70  3.000
 0ZP  HA1   CA1   C1    110.74  3.000
 0ZP  CB    CA1   C1    108.25  3.000
 0ZP  HA1   CA1   N     109.06  3.000
 0ZP  CB    CA1   N     112.15  3.000
 0ZP  C1    CA1   N     107.95  3.000
 0ZP  N1    C1    O1    124.84  3.000
 0ZP  N1    C1    CA1   114.77  3.000
 0ZP  O1    C1    CA1   120.28  3.000
 0ZP  HB3   CB    HB2   107.32  3.000
 0ZP  HB3   CB    CG    108.82  3.000
 0ZP  HB2   CB    CG    110.12  3.000
 0ZP  HB3   CB    CA1   109.58  3.000
 0ZP  HB2   CB    CA1   109.66  3.000
 0ZP  CG    CB    CA1   111.27  3.000
 0ZP  CD2   CG    ND1   105.73  3.000
 0ZP  CD2   CG    CB    130.97  3.000
 0ZP  ND1   CG    CB    123.14  3.000
 0ZP  HD1   ND1   CE1   124.24  3.000
 0ZP  HD1   ND1   CG    125.54  3.000
 0ZP  CE1   ND1   CG    110.21  3.000
 0ZP  HD2   CD2   NE2   122.50  3.000
 0ZP  HD2   CD2   CG    130.58  3.000
 0ZP  NE2   CD2   CG    106.91  3.000
 0ZP  HE1   CE1   NE2   126.39  3.000
 0ZP  HE1   CE1   ND1   126.30  3.000
 0ZP  NE2   CE1   ND1   107.29  3.000
 0ZP  HE2   NE2   CE1   124.48  3.000
 0ZP  HE2   NE2   CD2   125.67  3.000
 0ZP  CE1   NE2   CD2   109.85  3.000
 0ZP  H1    N1    CA2   117.83  3.000
 0ZP  H1    N1    C1    118.20  3.000
 0ZP  CA2   N1    C1    123.71  3.000
 0ZP  HA2   CA2   CH    107.47  3.000
 0ZP  HA2   CA2   CB3   109.30  3.000
 0ZP  CH    CA2   CB3   113.39  3.000
 0ZP  HA2   CA2   N1    106.24  3.000
 0ZP  CH    CA2   N1    111.22  3.000
 0ZP  CB3   CA2   N1    108.95  3.000
 0ZP  HB31  CB3   HB23  106.15  3.000
 0ZP  HB31  CB3   CG1   108.89  3.000
 0ZP  HB23  CB3   CG1   108.45  3.000
 0ZP  HB31  CB3   CA2   109.40  3.000
 0ZP  HB23  CB3   CA2   107.63  3.000
 0ZP  CG1   CB3   CA2   115.88  3.000
 0ZP  HG    CG1   CD21  108.09  3.000
 0ZP  HG    CG1   CD1   107.27  3.000
 0ZP  CD21  CG1   CD1   110.24  3.000
 0ZP  HG    CG1   CB3   108.99  3.000
 0ZP  CD21  CG1   CB3   112.59  3.000
 0ZP  CD1   CG1   CB3   109.50  3.000
 0ZP  HD13  CD1   HD12  106.32  3.000
 0ZP  HD13  CD1   CE11  110.20  3.000
 0ZP  HD12  CD1   CE11  109.28  3.000
 0ZP  HD13  CD1   CG1   109.66  3.000
 0ZP  HD12  CD1   CG1   108.88  3.000
 0ZP  CE11  CD1   CG1   112.31  3.000
 0ZP  HD22  CD21  HD23  106.40  3.000
 0ZP  HD22  CD21  CE2   109.10  3.000
 0ZP  HD23  CD21  CE2   109.28  3.000
 0ZP  HD22  CD21  CG1   108.91  3.000
 0ZP  HD23  CD21  CG1   110.72  3.000
 0ZP  CE2   CD21  CG1   112.24  3.000
 0ZP  HE13  CE11  HE12  106.49  3.000
 0ZP  HE13  CE11  CZ    109.28  3.000
 0ZP  HE12  CE11  CZ    110.42  3.000
 0ZP  HE13  CE11  CD1   109.25  3.000
 0ZP  HE12  CE11  CD1   110.05  3.000
 0ZP  CZ    CE11  CD1   111.23  3.000
 0ZP  HE22  CE2   HE23  106.37  3.000
 0ZP  HE22  CE2   CZ    110.43  3.000
 0ZP  HE23  CE2   CZ    109.23  3.000
 0ZP  HE22  CE2   CD21  109.83  3.000
 0ZP  HE23  CE2   CD21  109.23  3.000
 0ZP  CZ    CE2   CD21  111.61  3.000
 0ZP  HZ3   CZ    HZ2   106.48  3.000
 0ZP  HZ3   CZ    CE2   110.25  3.000
 0ZP  HZ2   CZ    CE2   109.33  3.000
 0ZP  HZ3   CZ    CE11  110.40  3.000
 0ZP  HZ2   CZ    CE11  109.35  3.000
 0ZP  CE2   CZ    CE11  110.92  3.000
 0ZP  HH    CH    CM    107.89  3.000
 0ZP  HH    CH    OH    105.22  3.000
 0ZP  CM    CH    OH    113.85  3.000
 0ZP  HH    CH    CA2   106.82  3.000
 0ZP  CM    CH    CA2   111.25  3.000
 0ZP  OH    CH    CA2   111.32  3.000
 0ZP  HO    OH    CH    109.03  3.000
 0ZP  HM2   CM    HM1   105.20  3.000
 0ZP  HM2   CM    CA21  108.36  3.000
 0ZP  HM1   CM    CA21  109.79  3.000
 0ZP  HM2   CM    CH    107.23  3.000
 0ZP  HM1   CM    CH    110.17  3.000
 0ZP  CA21  CM    CH    115.54  3.000
 0ZP  HA21  CA21  C2    105.54  3.000
 0ZP  HA21  CA21  CB21  105.70  3.000
 0ZP  C2    CA21  CB21  112.31  3.000
 0ZP  HA21  CA21  CM    107.67  3.000
 0ZP  C2    CA21  CM    110.10  3.000
 0ZP  CB21  CA21  CM    114.88  3.000
 0ZP  HB25  CB21  HB24  105.42  3.000
 0ZP  HB25  CB21  CG2   107.86  3.000
 0ZP  HB24  CB21  CG2   108.08  3.000
 0ZP  HB25  CB21  CA21  107.48  3.000
 0ZP  HB24  CB21  CA21  109.21  3.000
 0ZP  CG2   CB21  CA21  118.09  3.000
 0ZP  HG2   CG2   CD4   107.33  3.000
 0ZP  HG2   CG2   CD3   107.42  3.000
 0ZP  CD4   CG2   CD3   110.19  3.000
 0ZP  HG2   CG2   CB21  108.64  3.000
 0ZP  CD4   CG2   CB21  108.85  3.000
 0ZP  CD3   CG2   CB21  114.18  3.000
 0ZP  HD33  CD3   HD32  107.23  3.000
 0ZP  HD33  CD3   HD31  107.95  3.000
 0ZP  HD32  CD3   HD31  107.32  3.000
 0ZP  HD33  CD3   CG2   112.65  3.000
 0ZP  HD32  CD3   CG2   110.28  3.000
 0ZP  HD31  CD3   CG2   111.18  3.000
 0ZP  HD43  CD4   HD42  107.61  3.000
 0ZP  HD43  CD4   HD41  107.68  3.000
 0ZP  HD42  CD4   HD41  107.76  3.000
 0ZP  HD43  CD4   CG2   110.86  3.000
 0ZP  HD42  CD4   CG2   111.30  3.000
 0ZP  HD41  CD4   CG2   111.46  3.000
 0ZP  N2    C2    O2    121.83  3.000
 0ZP  N2    C2    CA21  114.91  3.000
 0ZP  O2    C2    CA21  123.26  3.000
 0ZP  HN1   N2    CA3   117.80  3.000
 0ZP  HN1   N2    C2    118.77  3.000
 0ZP  CA3   N2    C2    123.37  3.000
 0ZP  HA22  CA3   HA11  106.86  3.000
 0ZP  HA22  CA3   CB4   109.46  3.000
 0ZP  HA11  CA3   CB4   109.18  3.000
 0ZP  HA22  CA3   N2    110.57  3.000
 0ZP  HA11  CA3   N2    108.68  3.000
 0ZP  CB4   CA3   N2    111.95  3.000
 0ZP  HB    CB4   CG21  108.78  3.000
 0ZP  HB    CB4   CG11  107.73  3.000
 0ZP  CG21  CB4   CG11  112.03  3.000
 0ZP  HB    CB4   CA3   108.15  3.000
 0ZP  CG21  CB4   CA3   111.31  3.000
 0ZP  CG11  CB4   CA3   108.70  3.000
 0ZP  HG12  CG11  HG11  106.13  3.000
 0ZP  HG12  CG11  CD11  108.64  3.000
 0ZP  HG11  CG11  CD11  109.69  3.000
 0ZP  HG12  CG11  CB4   108.80  3.000
 0ZP  HG11  CG11  CB4   108.95  3.000
 0ZP  CD11  CG11  CB4   114.31  3.000
 0ZP  HG23  CG21  HG22  107.66  3.000
 0ZP  HG23  CG21  HG21  107.85  3.000
 0ZP  HG22  CG21  HG21  106.87  3.000
 0ZP  HG23  CG21  CB4   110.50  3.000
 0ZP  HG22  CG21  CB4   112.07  3.000
 0ZP  HG21  CG21  CB4   111.67  3.000
 0ZP  HD3   CD11  HD21  107.24  3.000
 0ZP  HD3   CD11  HD11  107.54  3.000
 0ZP  HD21  CD11  HD11  107.65  3.000
 0ZP  HD3   CD11  CG11  110.83  3.000
 0ZP  HD21  CD11  CG11  112.26  3.000
 0ZP  HD11  CD11  CG11  111.10  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
 0ZP  CONST_01  C4A   C3A   C2A   C1A      0.00   0.0  0
 0ZP  CONST_02  C4A   C11   C12   C1A      0.00   0.0  0
 0ZP  CONST_03  C5A   C11   C12   C1A    180.00   0.0  0
 0ZP  CONST_04  C7A   C8A   C12   C1A    180.00   0.0  0
 0ZP  CONST_05  C11   C12   C1A   C2A      0.00   0.0  0
 0ZP  CONST_06  C8A   C12   C1A   C2A    180.00   0.0  0
 0ZP  CONST_07  C11   C4A   C3A   C2A      0.00   0.0  0
 0ZP  CONST_08  C12   C1A   C2A   C3A      0.00   0.0  0
 0ZP  CONST_09  C5A   C11   C4A   C3A    180.00   0.0  0
 0ZP  CONST_10  C12   C11   C4A   C3A      0.00   0.0  0
 0ZP  CONST_11  C6A   C5A   C11   C4A    180.00   0.0  0
 0ZP  CONST_12  C8A   C12   C11   C4A    180.00   0.0  0
 0ZP  CONST_13  C7A   C6A   C5A   C11      0.00   0.0  0
 0ZP  CONST_14  C7A   C8A   C12   C11      0.00   0.0  0
 0ZP  CONST_15  C8A   C12   C11   C5A      0.00   0.0  0
 0ZP  CONST_16  C8A   C7A   C6A   C5A      0.00   0.0  0
 0ZP  CONST_17  C12   C11   C5A   C6A      0.00   0.0  0
 0ZP  CONST_18  C12   C8A   C7A   C6A      0.00   0.0  0
 0ZP  CONST_19  C4B   C3B   C2B   C1B      0.00   0.0  0
 0ZP  CONST_20  C4B   C13   C14   C1B      0.00   0.0  0
 0ZP  CONST_21  C5B   C13   C14   C1B    180.00   0.0  0
 0ZP  CONST_22  C7B   C8B   C14   C1B    180.00   0.0  0
 0ZP  CONST_23  C13   C14   C1B   C2B      0.00   0.0  0
 0ZP  CONST_24  C8B   C14   C1B   C2B    180.00   0.0  0
 0ZP  CONST_25  C13   C4B   C3B   C2B      0.00   0.0  0
 0ZP  CONST_26  C14   C1B   C2B   C3B      0.00   0.0  0
 0ZP  CONST_27  C5B   C13   C4B   C3B    180.00   0.0  0
 0ZP  CONST_28  C14   C13   C4B   C3B      0.00   0.0  0
 0ZP  CONST_29  C6B   C5B   C13   C4B    180.00   0.0  0
 0ZP  CONST_30  C8B   C14   C13   C4B    180.00   0.0  0
 0ZP  CONST_31  C7B   C6B   C5B   C13      0.00   0.0  0
 0ZP  CONST_32  C7B   C8B   C14   C13      0.00   0.0  0
 0ZP  CONST_33  C8B   C14   C13   C5B      0.00   0.0  0
 0ZP  CONST_34  C8B   C7B   C6B   C5B      0.00   0.0  0
 0ZP  CONST_35  C14   C13   C5B   C6B      0.00   0.0  0
 0ZP  CONST_36  C14   C8B   C7B   C6B      0.00   0.0  0
 0ZP  CONST_37  NE2   CE1   ND1   CG       0.00   0.0  0
 0ZP  CONST_38  CE1   NE2   CD2   CG       0.00   0.0  0
 0ZP  CONST_39  NE2   CD2   CG    ND1      0.00   0.0  0
 0ZP  CONST_40  CD2   NE2   CE1   ND1      0.00   0.0  0
 0ZP  CONST_41  CE1   ND1   CG    CD2      0.00   0.0  0
 0ZP  CONST_42  C3A   C2A   C1A   CB1    180.00   0.0  0
 0ZP  CONST_43  C11   C12   C1A   CB1    180.00   0.0  0
 0ZP  CONST_44  C8A   C12   C1A   CB1      0.00   0.0  0
 0ZP  CONST_45  C3B   C2B   C1B   CB2    180.00   0.0  0
 0ZP  CONST_46  C13   C14   C1B   CB2    180.00   0.0  0
 0ZP  CONST_47  C8B   C14   C1B   CB2      0.00   0.0  0
 0ZP  CONST_48  CE1   ND1   CG    CB     180.00   0.0  0
 0ZP  CONST_49  NE2   CD2   CG    CB     180.00   0.0  0
 0ZP  CONST_50  H3A   C3A   C2A   C1A    180.00   0.0  0
 0ZP  CONST_51  H8A   C8A   C12   C1A      0.00   0.0  0
 0ZP  CONST_52  H4A   C4A   C3A   C2A    180.00   0.0  0
 0ZP  CONST_53  H2A   C2A   C3A   C4A    180.00   0.0  0
 0ZP  CONST_54  H5A   C5A   C11   C4A      0.00   0.0  0
 0ZP  CONST_55  H6A   C6A   C5A   C11    180.00   0.0  0
 0ZP  CONST_56  H7A   C7A   C6A   C5A    180.00   0.0  0
 0ZP  CONST_57  H3B   C3B   C2B   C1B    180.00   0.0  0
 0ZP  CONST_58  H8B   C8B   C14   C1B      0.00   0.0  0
 0ZP  CONST_59  H4B   C4B   C3B   C2B    180.00   0.0  0
 0ZP  CONST_60  H2B   C2B   C3B   C4B    180.00   0.0  0
 0ZP  CONST_61  H5B   C5B   C13   C4B      0.00   0.0  0
 0ZP  CONST_62  H6B   C6B   C5B   C13    180.00   0.0  0
 0ZP  CONST_63  H7B   C7B   C6B   C5B    180.00   0.0  0
 0ZP  CONST_64  HE1   CE1   ND1   CG     180.00   0.0  0
 0ZP  CONST_65  HE2   NE2   CD2   CG     180.00   0.0  0
 0ZP  CONST_66  HD2   CD2   CG    ND1    180.00   0.0  0
 0ZP  CONST_67  HD1   ND1   CG    CD2    180.00   0.0  0
 0ZP  CONST_68  CA1   N     C     O        0.00   0.0  0
 0ZP  CONST_70  CA2   N1    C1    CA1    180.00   0.0  0
 0ZP  CONST_71  CA2   N1    C1    O1       0.00   0.0  0
 0ZP  CONST_72  CA3   N2    C2    CA21   180.00   0.0  0
 0ZP  CONST_73  CA3   N2    C2    O2       0.00   0.0  0
 0ZP  CONST_74  H     N     C     O      180.00   0.0  0
 0ZP  CONST_75  H1    N1    C1    CA1      0.00   0.0  0
 0ZP  CONST_76  HN1   N2    C2    CA21     0.00   0.0  0
 0ZP  Var_01    CZ    CE11  CD1   CG1     55.69  30.0  1
 0ZP  Var_02    CZ    CE2   CD21  CG1    -54.97  30.0  1
 0ZP  Var_03    CE2   CZ    CE11  CD1    -55.31  30.0  1
 0ZP  Var_04    CE11  CZ    CE2   CD21    55.07  30.0  1
 0ZP  Var_05    C2A   C1A   CB1   CA    -105.80  30.0  2
 0ZP  Var_06    C2B   C1B   CB2   CA    -101.94  30.0  2
 0ZP  Var_07    ND1   CG    CB    CA1     82.90  30.0  2
 0ZP  Var_08    C1A   CB1   CA    C     -179.66  30.0  3
 0ZP  Var_09    C1B   CB2   CA    C       55.93  30.0  3
 0ZP  Var_10    CB1   CA    C     O      -47.14  30.0  3
 0ZP  Var_11    CD3   CG2   CB21  CA21    61.54  30.0  3
 0ZP  Var_12    CB4   CA3   N2    C2    -160.03  30.0  3
 0ZP  Var_13    HD31  CD3   CG2   CB21    55.01  30.0  3
 0ZP  Var_14    HD41  CD4   CG2   CB21    55.97  30.0  3
 0ZP  Var_15    HD11  CD11  CG11  CB4    -58.13  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
 0ZP  chir_01  CA1   N    C1    CB    positiv
 0ZP  chir_02  CA2   N1   CB3   CH    negativ
 0ZP  chir_03  CG1   CB3  CD1   CD21  positiv
 0ZP  chir_04  CH    OH   CM    CA2   negativ
 0ZP  chir_05  CA21  CM   CB21  C2    negativ
 0ZP  chir_06  CB4   CA3  CG11  CG21  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
 0ZP  plan-1  CB    0.020
 0ZP  plan-1  CG    0.020
 0ZP  plan-1  ND1   0.020
 0ZP  plan-1  CD2   0.020
 0ZP  plan-1  CE1   0.020
 0ZP  plan-1  NE2   0.020
 0ZP  plan-1  HD1   0.020
 0ZP  plan-1  HD2   0.020
 0ZP  plan-1  HE1   0.020
 0ZP  plan-1  HE2   0.020
 0ZP  plan-2  CB1   0.020
 0ZP  plan-2  C1A   0.020
 0ZP  plan-2  C2A   0.020
 0ZP  plan-2  C3A   0.020
 0ZP  plan-2  C4A   0.020
 0ZP  plan-2  C11   0.020
 0ZP  plan-2  C5A   0.020
 0ZP  plan-2  C6A   0.020
 0ZP  plan-2  C7A   0.020
 0ZP  plan-2  C8A   0.020
 0ZP  plan-2  C12   0.020
 0ZP  plan-2  H2A   0.020
 0ZP  plan-2  H3A   0.020
 0ZP  plan-2  H4A   0.020
 0ZP  plan-2  H5A   0.020
 0ZP  plan-2  H6A   0.020
 0ZP  plan-2  H7A   0.020
 0ZP  plan-2  H8A   0.020
 0ZP  plan-3  CB2   0.020
 0ZP  plan-3  C1B   0.020
 0ZP  plan-3  C2B   0.020
 0ZP  plan-3  C3B   0.020
 0ZP  plan-3  C4B   0.020
 0ZP  plan-3  C13   0.020
 0ZP  plan-3  C5B   0.020
 0ZP  plan-3  C6B   0.020
 0ZP  plan-3  C7B   0.020
 0ZP  plan-3  C8B   0.020
 0ZP  plan-3  C14   0.020
 0ZP  plan-3  H2B   0.020
 0ZP  plan-3  H3B   0.020
 0ZP  plan-3  H4B   0.020
 0ZP  plan-3  H5B   0.020
 0ZP  plan-3  H6B   0.020
 0ZP  plan-3  H7B   0.020
 0ZP  plan-3  H8B   0.020
 0ZP  plan-4  CA1   0.020
 0ZP  plan-4  C1    0.020
 0ZP  plan-4  O1    0.020
 0ZP  plan-4  N1    0.020
 0ZP  plan-4  CA2   0.020
 0ZP  plan-4  H1    0.020
 0ZP  plan-5  CA21  0.020
 0ZP  plan-5  C2    0.020
 0ZP  plan-5  O2    0.020
 0ZP  plan-5  N2    0.020
 0ZP  plan-5  CA3   0.020
 0ZP  plan-5  HN1   0.020
 0ZP  plan-6  C     0.020
 0ZP  plan-6  O     0.020
 0ZP  plan-6  CA    0.020
 0ZP  plan-6  N     0.020
 0ZP  plan-6  CA1   0.020
 0ZP  plan-6  H     0.020

