# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Mar 26 11:51:03 2022
#   Inital geometry file: a 152 line input string
#   Ligand name: N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-arabinopyranosylamine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(N[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)c2
#
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
 ZO7  ZO7  N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-arabinopyranosylamine  ligand  63  33  .  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_ZO7
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
 ZO7  C1   C   CR6   0   0.203  -17.5937  -24.6009   -4.3762
 ZO7  C10  C   C     0   0.756  -15.4445  -25.9899   -5.9743
 ZO7  C11  C   CT    0   0.046  -16.6613  -25.6821   -3.8333
 ZO7  C12  C   CH3   0  -0.662  -17.3247  -27.0579   -3.7299
 ZO7  C13  C   CH3   0  -0.667  -16.2183  -25.2502   -2.4304
 ZO7  C17  C   CR6   0   0.412  -13.8271  -26.0772   -7.8687
 ZO7  C18  C   CR16  0  -0.398  -12.5257  -25.6923   -8.2048
 ZO7  C19  C   CR16  0  -0.198  -12.0963  -25.7916   -9.5138
 ZO7  C2   C   CR16  0  -0.348  -18.9765  -24.7510   -4.3838
 ZO7  C20  C   CR6   0  -0.181  -12.9455  -26.2601  -10.4975
 ZO7  C21  C   CR6   0   0.492  -14.2547  -26.6592  -10.1926
 ZO7  C22  C   CR16  0  -0.442  -14.6736  -26.5723   -8.8586
 ZO7  C24  C   CH1   0   0.122  -16.5083  -27.2082  -11.0237
 ZO7  C25  C   CH1   0  -0.018  -17.1826  -27.2320  -12.4132
 ZO7  C26  C   CH1   0   0.027  -16.9473  -28.5721  -13.1001
 ZO7  C27  C   CH1   0  -0.023  -17.3656  -29.7146  -12.1734
 ZO7  C29  C   CH2   0  -0.230  -16.6367  -29.5590  -10.8484
 ZO7  C3   C   CR16  0  -0.216  -19.7905  -23.7212   -4.8363
 ZO7  C4   C   CR16  0  -0.333  -19.2413  -22.5316   -5.2847
 ZO7  C5   C   CR6   0   0.121  -17.8566  -22.3465   -5.2713
 ZO7  C6   C   CR16  0  -0.373  -17.0573  -23.3963   -4.8195
 ZO7  C7   C   C     0   0.104  -17.2557  -21.0760   -5.7410
 ZO7  C8   C   C2    0  -0.582  -16.0934  -20.6274   -5.2606
 ZO7  C9   C   CH3   0  -0.733  -18.0105  -20.2963   -6.7804
 ZO7  N1   N   NH1   0  -0.718  -15.0828  -27.1399  -11.1773
 ZO7  N3   N   NH1   0  -0.703  -15.4478  -25.7587   -4.6397
 ZO7  N4   N   NH1   0  -0.795  -14.1832  -25.9654   -6.5277
 ZO7  O2   O   O     0  -0.504  -16.4597  -26.1942   -6.6210
 ZO7  O3   O   O2    0  -0.480  -16.9143  -28.3097  -10.2519
 ZO7  O4   O   OH1   0  -0.655  -16.6797  -26.2151  -13.2423
 ZO7  O5   O   OH1   0  -0.661  -17.6489  -28.5649  -14.3160
 ZO7  O6   O   OH1   0  -0.663  -18.7648  -29.6773  -12.0258
 ZO7  CL   CL  CL    0  -0.140  -12.3768  -26.3433  -12.1405
 ZO7  H1   H   HCH3  0   0.231  -18.1337  -27.0534   -2.9994
 ZO7  H2   H   HCH3  0   0.244  -17.7300  -27.3930   -4.6825
 ZO7  H3   H   HCH3  0   0.242  -16.5859  -27.7856   -3.3941
 ZO7  H4   H   HCH3  0   0.248  -17.0850  -25.1508   -1.7788
 ZO7  H5   H   HCH3  0   0.241  -15.5479  -25.9917   -1.9901
 ZO7  H6   H   HCH3  0   0.244  -15.7018  -24.2896   -2.4554
 ZO7  H7   H   HCR6  0   0.266  -11.8510  -25.3142   -7.4471
 ZO7  H8   H   HCR6  0   0.274  -11.0900  -25.4896   -9.7721
 ZO7  H9   H   HCR6  0   0.250  -19.4362  -25.6717   -4.0513
 ZO7  H10  H   HCR6  0   0.297  -15.6594  -26.9117   -8.5932
 ZO7  H11  H   HCH1  0   0.255  -16.8761  -26.3353  -10.4694
 ZO7  H12  H   HCH1  0   0.245  -18.2595  -27.1080  -12.2435
 ZO7  H13  H   HCH1  0   0.217  -15.8670  -28.6947  -13.2749
 ZO7  H14  H   HCH1  0   0.225  -17.0392  -30.6653  -12.6234
 ZO7  H15  H   HCH2  0   0.248  -16.9606  -30.3227  -10.1380
 ZO7  H16  H   HCH2  0   0.219  -15.5602  -29.6974  -11.0057
 ZO7  H17  H   HCR6  0   0.251  -20.8651  -23.8522   -4.8438
 ZO7  H18  H   HCR6  0   0.248  -19.8986  -21.7461   -5.6339
 ZO7  H19  H   HCR6  0   0.241  -15.9802  -23.2811   -4.8416
 ZO7  H20  H   H     0   0.237  -15.5448  -21.1432   -4.4831
 ZO7  H21  H   H     0   0.239  -15.6553  -19.7079   -5.6276
 ZO7  H22  H   HCH3  0   0.241  -18.2738  -20.9218   -7.6352
 ZO7  H23  H   HCH3  0   0.243  -18.9446  -19.8939   -6.3832
 ZO7  H24  H   HCH3  0   0.249  -17.4202  -19.4551   -7.1398
 ZO7  H25  H   HNH1  0   0.379  -14.7645  -26.9679  -12.1185
 ZO7  H26  H   HNH1  0   0.400  -14.5733  -25.6196   -4.1584
 ZO7  H27  H   HNH1  0   0.408  -13.4250  -25.6929   -5.9207
 ZO7  H28  H   HOH1  0   0.457  -16.9574  -25.3633  -12.8884
 ZO7  H29  H   HOH1  0   0.450  -17.4512  -29.3824  -14.7839
 ZO7  H30  H   HOH1  0   0.451  -19.0293  -30.3976  -11.4450

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
 ZO7  O5   C26  single    1.404  0.020  1.404
 ZO7  C26  C25  single    1.524  0.020  1.524
 ZO7  C26  C27  single    1.529  0.020  1.529
 ZO7  O4   C25  single    1.405  0.020  1.405
 ZO7  C25  C24  single    1.545  0.020  1.545
 ZO7  C27  O6   single    1.407  0.020  1.407
 ZO7  C27  C29  single    1.520  0.020  1.520
 ZO7  CL   C20  single    1.741  0.020  1.741
 ZO7  N1   C24  single    1.435  0.020  1.435
 ZO7  N1   C21  single    1.373  0.020  1.373
 ZO7  C29  O3   single    1.412  0.020  1.412
 ZO7  C24  O3   single    1.405  0.020  1.405
 ZO7  C20  C21  aromatic  1.402  0.020  1.402
 ZO7  C20  C19  aromatic  1.381  0.020  1.381
 ZO7  C21  C22  aromatic  1.401  0.020  1.401
 ZO7  C19  C18  aromatic  1.381  0.020  1.381
 ZO7  C22  C17  aromatic  1.393  0.020  1.393
 ZO7  C18  C17  aromatic  1.398  0.020  1.398
 ZO7  C17  N4   single    1.392  0.020  1.392
 ZO7  O2   C10  double    1.221  0.020  1.221
 ZO7  N4   C10  single    1.378  0.020  1.378
 ZO7  C9   C7   single    1.503  0.020  1.503
 ZO7  C10  N3   single    1.354  0.020  1.354
 ZO7  C8   C7   double    1.335  0.020  1.335
 ZO7  C7   C5   single    1.482  0.020  1.482
 ZO7  C5   C4   aromatic  1.397  0.020  1.397
 ZO7  C5   C6   aromatic  1.395  0.020  1.395
 ZO7  C4   C3   aromatic  1.385  0.020  1.385
 ZO7  C6   C1   aromatic  1.391  0.020  1.391
 ZO7  N3   C11  single    1.459  0.020  1.459
 ZO7  C3   C2   aromatic  1.389  0.020  1.389
 ZO7  C1   C2   aromatic  1.391  0.020  1.391
 ZO7  C1   C11  single    1.527  0.020  1.527
 ZO7  C11  C12  single    1.531  0.020  1.531
 ZO7  C11  C13  single    1.533  0.020  1.533
 ZO7  C12  H1   single    0.970  0.020  1.090
 ZO7  C12  H2   single    0.970  0.020  1.090
 ZO7  C12  H3   single    0.970  0.020  1.090
 ZO7  C13  H4   single    0.970  0.020  1.090
 ZO7  C13  H5   single    0.970  0.020  1.090
 ZO7  C13  H6   single    0.970  0.020  1.090
 ZO7  C18  H7   single    0.930  0.020  1.080
 ZO7  C19  H8   single    0.930  0.020  1.080
 ZO7  C2   H9   single    0.930  0.020  1.080
 ZO7  C22  H10  single    0.930  0.020  1.080
 ZO7  C24  H11  single    0.970  0.020  1.090
 ZO7  C25  H12  single    0.970  0.020  1.090
 ZO7  C26  H13  single    0.970  0.020  1.090
 ZO7  C27  H14  single    0.970  0.020  1.090
 ZO7  C29  H15  single    0.970  0.020  1.090
 ZO7  C29  H16  single    0.970  0.020  1.090
 ZO7  C3   H17  single    0.930  0.020  1.080
 ZO7  C4   H18  single    0.930  0.020  1.080
 ZO7  C6   H19  single    0.930  0.020  1.080
 ZO7  C8   H20  single    0.930  0.020  1.080
 ZO7  C8   H21  single    0.930  0.020  1.080
 ZO7  C9   H22  single    0.970  0.020  1.090
 ZO7  C9   H23  single    0.970  0.020  1.090
 ZO7  C9   H24  single    0.970  0.020  1.090
 ZO7  N1   H25  single    0.890  0.020  1.040
 ZO7  N3   H26  single    0.860  0.020  1.020
 ZO7  N4   H27  single    0.860  0.020  1.020
 ZO7  O4   H28  single    0.850  0.020  0.980
 ZO7  O5   H29  single    0.850  0.020  0.980
 ZO7  O6   H30  single    0.850  0.020  0.980

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
 ZO7  C6   C1   C2   118.37  3.000
 ZO7  C2   C1   C11  122.16  3.000
 ZO7  C6   C1   C11  119.39  3.000
 ZO7  O2   C10  N4   123.47  3.000
 ZO7  N4   C10  N3   113.26  3.000
 ZO7  O2   C10  N3   123.26  3.000
 ZO7  N3   C11  C13  106.27  3.000
 ZO7  C13  C11  C12  108.46  3.000
 ZO7  N3   C11  C12  110.52  3.000
 ZO7  C13  C11  C1   107.59  3.000
 ZO7  C12  C11  C1   113.31  3.000
 ZO7  N3   C11  C1   110.39  3.000
 ZO7  H3   C12  H2   108.46  3.000
 ZO7  H3   C12  H1   107.42  3.000
 ZO7  H2   C12  H1   108.15  3.000
 ZO7  H3   C12  C11  109.09  3.000
 ZO7  H2   C12  C11  112.28  3.000
 ZO7  H1   C12  C11  111.29  3.000
 ZO7  H6   C13  H5   108.45  3.000
 ZO7  H6   C13  H4   108.07  3.000
 ZO7  H5   C13  H4   108.01  3.000
 ZO7  H6   C13  C11  111.34  3.000
 ZO7  H5   C13  C11  110.79  3.000
 ZO7  H4   C13  C11  110.08  3.000
 ZO7  N4   C17  C22  123.89  3.000
 ZO7  N4   C17  C18  116.59  3.000
 ZO7  C22  C17  C18  119.51  3.000
 ZO7  H7   C18  C19  119.64  3.000
 ZO7  H7   C18  C17  120.53  3.000
 ZO7  C19  C18  C17  119.83  3.000
 ZO7  H8   C19  C20  119.76  3.000
 ZO7  H8   C19  C18  119.70  3.000
 ZO7  C20  C19  C18  120.54  3.000
 ZO7  H9   C2   C3   118.85  3.000
 ZO7  H9   C2   C1   120.85  3.000
 ZO7  C3   C2   C1   120.30  3.000
 ZO7  CL   C20  C21  119.78  3.000
 ZO7  C21  C20  C19  121.04  3.000
 ZO7  CL   C20  C19  119.18  3.000
 ZO7  N1   C21  C22  121.61  3.000
 ZO7  C22  C21  C20  117.94  3.000
 ZO7  N1   C21  C20  120.44  3.000
 ZO7  H10  C22  C21  119.30  3.000
 ZO7  H10  C22  C17  119.57  3.000
 ZO7  C21  C22  C17  121.12  3.000
 ZO7  H11  C24  O3   104.44  3.000
 ZO7  H11  C24  N1   110.44  3.000
 ZO7  O3   C24  N1   112.52  3.000
 ZO7  H11  C24  C25  108.68  3.000
 ZO7  O3   C24  C25  110.85  3.000
 ZO7  N1   C24  C25  109.75  3.000
 ZO7  H12  C25  O4   111.14  3.000
 ZO7  H12  C25  C26  108.70  3.000
 ZO7  O4   C25  C26  108.37  3.000
 ZO7  H12  C25  C24  106.71  3.000
 ZO7  O4   C25  C24  111.31  3.000
 ZO7  C26  C25  C24  110.59  3.000
 ZO7  H13  C26  O5   110.70  3.000
 ZO7  H13  C26  C27  106.34  3.000
 ZO7  O5   C26  C27  113.08  3.000
 ZO7  H13  C26  C25  108.71  3.000
 ZO7  C27  C26  C25  109.97  3.000
 ZO7  O5   C26  C25  107.98  3.000
 ZO7  H14  C27  O6   111.12  3.000
 ZO7  H14  C27  C29  107.60  3.000
 ZO7  O6   C27  C29  112.49  3.000
 ZO7  H14  C27  C26  108.44  3.000
 ZO7  C29  C27  C26  108.70  3.000
 ZO7  O6   C27  C26  108.40  3.000
 ZO7  H16  C29  H15  107.23  3.000
 ZO7  H16  C29  O3   111.42  3.000
 ZO7  H15  C29  O3   106.60  3.000
 ZO7  H16  C29  C27  109.43  3.000
 ZO7  H15  C29  C27  110.69  3.000
 ZO7  O3   C29  C27  111.38  3.000
 ZO7  H17  C3   C4   119.69  3.000
 ZO7  H17  C3   C2   119.63  3.000
 ZO7  C4   C3   C2   120.68  3.000
 ZO7  H18  C4   C5   120.59  3.000
 ZO7  H18  C4   C3   119.16  3.000
 ZO7  C5   C4   C3   120.25  3.000
 ZO7  C7   C5   C6   121.04  3.000
 ZO7  C6   C5   C4   118.13  3.000
 ZO7  C7   C5   C4   120.83  3.000
 ZO7  H19  C6   C5   118.89  3.000
 ZO7  H19  C6   C1   118.81  3.000
 ZO7  C5   C6   C1   122.27  3.000
 ZO7  C9   C7   C8   120.78  3.000
 ZO7  C8   C7   C5   121.80  3.000
 ZO7  C9   C7   C5   117.41  3.000
 ZO7  H21  C8   H20  116.31  3.000
 ZO7  H21  C8   C7   121.04  3.000
 ZO7  H20  C8   C7   122.65  3.000
 ZO7  H24  C9   H23  107.41  3.000
 ZO7  H24  C9   H22  108.36  3.000
 ZO7  H23  C9   H22  106.84  3.000
 ZO7  H24  C9   C7   110.91  3.000
 ZO7  H23  C9   C7   111.68  3.000
 ZO7  H22  C9   C7   111.44  3.000
 ZO7  H25  N1   C24  114.93  3.000
 ZO7  H25  N1   C21  114.78  3.000
 ZO7  C24  N1   C21  122.59  3.000
 ZO7  H26  N3   C11  116.77  3.000
 ZO7  H26  N3   C10  119.48  3.000
 ZO7  C11  N3   C10  123.75  3.000
 ZO7  H27  N4   C17  114.15  3.000
 ZO7  H27  N4   C10  116.82  3.000
 ZO7  C17  N4   C10  128.30  3.000
 ZO7  C29  O3   C24  113.88  3.000
 ZO7  H28  O4   C25  108.66  3.000
 ZO7  H29  O5   C26  108.31  3.000
 ZO7  H30  O6   C27  108.47  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
 ZO7  CONST_01  C4   C5   C6   C1      0.00   0.0  0
 ZO7  CONST_02  C4   C3   C2   C1      0.00   0.0  0
 ZO7  CONST_03  C20  C21  C22  C17     0.00   0.0  0
 ZO7  CONST_04  C20  C19  C18  C17     0.00   0.0  0
 ZO7  CONST_05  C21  C20  C19  C18     0.00   0.0  0
 ZO7  CONST_06  C21  C22  C17  C18     0.00   0.0  0
 ZO7  CONST_07  C22  C21  C20  C19     0.00   0.0  0
 ZO7  CONST_08  C22  C17  C18  C19     0.00   0.0  0
 ZO7  CONST_09  C5   C4   C3   C2      0.00   0.0  0
 ZO7  CONST_10  C5   C6   C1   C2      0.00   0.0  0
 ZO7  CONST_11  C6   C5   C4   C3      0.00   0.0  0
 ZO7  CONST_12  C6   C1   C2   C3      0.00   0.0  0
 ZO7  CONST_13  C7   C5   C6   C1    180.00   0.0  0
 ZO7  CONST_14  C5   C6   C1   C11   180.00   0.0  0
 ZO7  CONST_15  C3   C2   C1   C11   180.00   0.0  0
 ZO7  CONST_16  N1   C21  C22  C17   180.00   0.0  0
 ZO7  CONST_17  CL   C20  C19  C18   180.00   0.0  0
 ZO7  CONST_18  N1   C21  C20  C19   180.00   0.0  0
 ZO7  CONST_19  N4   C17  C18  C19   180.00   0.0  0
 ZO7  CONST_20  N4   C17  C22  C21   180.00   0.0  0
 ZO7  CONST_21  CL   C20  C21  C22   180.00   0.0  0
 ZO7  CONST_22  C7   C5   C4   C3    180.00   0.0  0
 ZO7  CONST_25  H17  C3   C2   C1    180.00   0.0  0
 ZO7  CONST_26  H8   C19  C18  C17   180.00   0.0  0
 ZO7  CONST_27  H10  C22  C17  C18   180.00   0.0  0
 ZO7  CONST_28  H18  C4   C3   C2    180.00   0.0  0
 ZO7  CONST_29  H19  C6   C1   C2    180.00   0.0  0
 ZO7  CONST_30  H7   C18  C19  C20   180.00   0.0  0
 ZO7  CONST_31  H9   C2   C3   C4    180.00   0.0  0
 ZO7  CONST_34  H27  N4   C17  C18     0.00   0.0  0
 ZO7  CONST_35  H25  N1   C21  C20     0.00   0.0  0
 ZO7  CONST_36  O2   C10  N4   C17     0.00   0.0  0
 ZO7  CONST_37  N3   C10  N4   C17   180.00   0.0  0
 ZO7  CONST_38  O2   C10  N3   C11     0.00   0.0  0
 ZO7  CONST_39  N4   C10  N3   C11   180.00   0.0  0
 ZO7  CONST_40  H26  N3   C10  O2    180.00   0.0  0
 ZO7  Var_01    C27  C29  O3   C24   -61.40  30.0  1
 ZO7  Var_02    C6   C1   C11  C12  -164.92  30.0  1
 ZO7  Var_03    C9   C7   C5   C4    -28.21  30.0  2
 ZO7  Var_04    C10  N3   C11  C1    -57.27  30.0  2
 ZO7  Var_05    H20  C8   C7   C5     -2.15   0.0  2
 ZO7  Var_06    H1   C12  C11  C1    -65.01  30.0  3
 ZO7  Var_07    H4   C13  C11  C1     60.46  30.0  3
 ZO7  Var_08    H22  C9   C7   C5    -51.96  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
 ZO7  chir_01  C24  C25  N1   O3   positiv
 ZO7  chir_02  C25  O4   C24  C26  positiv
 ZO7  chir_03  C26  O5   C25  C27  negativ
 ZO7  chir_04  C27  O6   C26  C29  negativ

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
 ZO7  plan-1  C17  0.020
 ZO7  plan-1  C18  0.020
 ZO7  plan-1  C19  0.020
 ZO7  plan-1  C20  0.020
 ZO7  plan-1  C21  0.020
 ZO7  plan-1  C22  0.020
 ZO7  plan-1  N1   0.020
 ZO7  plan-1  N4   0.020
 ZO7  plan-1  CL   0.020
 ZO7  plan-1  H7   0.020
 ZO7  plan-1  H8   0.020
 ZO7  plan-1  H10  0.020
 ZO7  plan-2  C5   0.020
 ZO7  plan-2  C7   0.020
 ZO7  plan-2  C8   0.020
 ZO7  plan-2  C9   0.020
 ZO7  plan-2  H20  0.020
 ZO7  plan-2  H21  0.020
 ZO7  plan-3  C1   0.020
 ZO7  plan-3  C11  0.020
 ZO7  plan-3  C2   0.020
 ZO7  plan-3  C3   0.020
 ZO7  plan-3  C4   0.020
 ZO7  plan-3  C5   0.020
 ZO7  plan-3  C6   0.020
 ZO7  plan-3  C7   0.020
 ZO7  plan-3  H9   0.020
 ZO7  plan-3  H17  0.020
 ZO7  plan-3  H18  0.020
 ZO7  plan-3  H19  0.020
 ZO7  plan-4  C21  0.020
 ZO7  plan-4  C24  0.020
 ZO7  plan-4  N1   0.020
 ZO7  plan-4  H25  0.020
 ZO7  plan-5  C10  0.020
 ZO7  plan-5  C11  0.020
 ZO7  plan-5  C17  0.020
 ZO7  plan-5  N3   0.020
 ZO7  plan-5  N4   0.020
 ZO7  plan-5  O2   0.020
 ZO7  plan-5  H26  0.020
 ZO7  plan-5  H27  0.020

