# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Aug  1 02:17:58 2021
#   Inital geometry file: a 161 line input string
#   Ligand name: 5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@H]3CO
#
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
 N0N  N0N  5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide  ligand  71  34  .  2022-07-22  2022-07-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_N0N
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
 N0N  C4   C  CH1   0  -0.119  13.0229  20.4160  83.1410
 N0N  C5   C  CH1   0  -0.326  12.3810  19.8273  84.4339
 N0N  O4   O  OS    0  -0.657  23.1187  22.8935  88.0017
 N0N  C6   C  CH1   0   0.003  10.9062  19.5010  84.0371
 N0N  C7   C  CR6   0  -0.278  22.1981  20.4151  88.2027
 N0N  C8   C  CH2   0  -0.173  13.1235  18.6214  84.9822
 N0N  C9   C  CR66  0   0.194  23.3439  19.7081  87.7292
 N0N  C10  C  CR66  0   0.043  23.4625  18.3373  88.0991
 N0N  C11  C  CR16  0  -0.289  22.4284  17.7282  88.8461
 N0N  C12  C  CR16  0  -0.250  21.3435  18.4399  89.2719
 N0N  C13  C  CR16  0  -0.242  21.2315  19.8024  88.9564
 N0N  C14  C  CR6   0   0.298  24.5981  17.5734  87.6743
 N0N  C2   C  CH1   0   0.038  10.7290  20.1790  82.6676
 N0N  C3   C  CH1   0   0.047  12.0829  19.9815  82.0235
 N0N  N7   N  NH1   0  -0.618  14.3952  20.1244  82.8043
 N0N  O9   O  OH1   0  -0.676  12.3835  18.1007  86.0731
 N0N  O10  O  OH1   0  -0.676  10.6490  18.1263  83.8733
 N0N  O11  O  OH1   0  -0.668   9.6961  19.6701  81.8730
 N0N  O12  O  OH1   0  -0.670  12.2436  20.7257  80.8466
 N0N  C16  C  CH2   0  -0.444  16.7986  20.4534  83.1445
 N0N  C17  C  CH2   0  -0.428  17.8788  21.2007  83.9152
 N0N  C18  C  CH2   0  -0.432  19.2836  20.8167  83.4634
 N0N  C19  C  CH2   0  -0.457  20.3971  21.6260  84.1198
 N0N  C20  C  CH2   0  -0.271  20.5065  21.3777  85.6164
 N0N  N21  N  NC1   0  -0.735  21.6249  22.1534  86.1525
 N0N  S1   S  S     0   1.368  21.9093  22.1190  87.7720
 N0N  O2   O  OS    0  -0.649  20.6768  22.5292  88.4242
 N0N  C21  C  CR16  0  -0.341  25.5069  18.1538  86.8215
 N0N  C22  C  CR16  0  -0.229  25.3655  19.4947  86.4325
 N0N  C23  C  CR16  0  -0.381  24.3369  20.2698  86.8905
 N0N  N24  N  NT    0  -0.490  24.7188  16.2523  88.1271
 N0N  C25  C  CH3   0  -0.546  25.4834  15.3500  87.2928
 N0N  C26  C  CH3   0  -0.544  25.0915  16.1232  89.5297
 N0N  H1   H  HCH1  0   0.244  12.9478  21.5076  83.2065
 N0N  H2   H  HCH1  0   0.252  12.3739  20.5940  85.2130
 N0N  H3   H  HCH1  0   0.218  10.2139  19.9294  84.7731
 N0N  H4   H  HCH2  0   0.202  13.2607  17.8606  84.2034
 N0N  H5   H  HCH2  0   0.227  14.1246  18.9238  85.3096
 N0N  H6   H  HCR6  0   0.280  22.4889  16.6704  89.0601
 N0N  H7   H  HCR6  0   0.272  20.5574  17.9575  89.8358
 N0N  H8   H  HCR6  0   0.289  20.3663  20.3520  89.2978
 N0N  H9   H  HCH2  0   0.222  15.2419  21.9043  83.4399
 N0N  H10  H  HCH2  0   0.193  15.2992  20.6528  84.6683
 N0N  H11  H  HCH1  0   0.205  10.5987  21.2582  82.8475
 N0N  H12  H  HCH1  0   0.194  12.2306  18.9055  81.8296
 N0N  H13  H  HNH1  0   0.342  14.5710  19.1263  82.8240
 N0N  H15  H  HOH1  0   0.461  12.8297  17.3096  86.3905
 N0N  H16  H  HOH1  0   0.449  10.8571  17.7048  84.7166
 N0N  H17  H  HOH1  0   0.450   8.8606  19.8066  82.3300
 N0N  H18  H  HOH1  0   0.442  13.1908  20.7329  80.6607
 N0N  H19  H  HCH2  0   0.217  16.9388  19.3744  83.2761
 N0N  H20  H  HCH2  0   0.220  16.9019  20.6519  82.0734
 N0N  H21  H  HCH2  0   0.215  17.7421  22.2797  83.7836
 N0N  H22  H  HCH2  0   0.220  17.7573  21.0054  84.9853
 N0N  H23  H  HCH2  0   0.219  19.4478  19.7495  83.6448
 N0N  H24  H  HCH2  0   0.231  19.3558  20.9537  82.3808
 N0N  H25  H  HCH2  0   0.238  21.3490  21.3654  83.6472
 N0N  H26  H  HCH2  0   0.235  20.2377  22.6928  83.9399
 N0N  H27  H  HCH2  0   0.259  19.5972  21.6965  86.1243
 N0N  H28  H  HCH2  0   0.235  20.6317  20.3042  85.8035
 N0N  H29  H  HNC1  0   0.408  22.4770  22.0675  85.6088
 N0N  H30  H  HCR6  0   0.271  26.3608  17.5961  86.4618
 N0N  H31  H  HCR6  0   0.267  26.1099  19.9334  85.7810
 N0N  H32  H  HCR6  0   0.251  24.3207  21.3113  86.6104
 N0N  H33  H  HCH3  0   0.250  25.2939  14.3268  87.6180
 N0N  H34  H  HCH3  0   0.248  25.1684  15.4342  86.2535
 N0N  H35  H  HCH3  0   0.212  26.5680  15.5147  87.3404
 N0N  H36  H  HCH3  0   0.252  24.5122  16.7969  90.1572
 N0N  H37  H  HCH3  0   0.242  24.8995  15.1043  89.8670
 N0N  H38  H  HCH3  0   0.223  26.1544  16.3438  89.6918
 N0N  C15  C  CH2   0  -0.255  15.3940  20.8304  83.5860

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
 N0N  O11  C2   single    1.399  0.020  1.399
 N0N  O10  C6   single    1.408  0.020  1.408
 N0N  O12  C3   single    1.402  0.020  1.402
 N0N  C3   C2   single    1.512  0.020  1.512
 N0N  C3   C4   single    1.524  0.020  1.524
 N0N  N7   C4   single    1.443  0.020  1.443
 N0N  N7   C15  single    1.452  0.020  1.452
 N0N  C16  C15  single    1.520  0.020  1.520
 N0N  C16  C17  single    1.523  0.020  1.523
 N0N  C2   C6   single    1.538  0.020  1.538
 N0N  C6   C5   single    1.562  0.020  1.562
 N0N  C18  C17  single    1.525  0.020  1.525
 N0N  C18  C19  single    1.525  0.020  1.525
 N0N  C4   C5   single    1.559  0.020  1.559
 N0N  C19  C20  single    1.521  0.020  1.521
 N0N  C5   C8   single    1.519  0.020  1.519
 N0N  C8   O9   single    1.417  0.020  1.417
 N0N  C20  N21  single    1.463  0.020  1.463
 N0N  N21  S1   single    1.645  0.020  1.645
 N0N  C22  C23  aromatic  1.367  0.020  1.367
 N0N  C22  C21  aromatic  1.403  0.020  1.403
 N0N  C23  C9   aromatic  1.416  0.020  1.416
 N0N  C21  C14  aromatic  1.375  0.020  1.375
 N0N  S1   O4   double    1.454  0.020  1.454
 N0N  S1   O2   double    1.454  0.020  1.454
 N0N  S1   C7   single    1.781  0.020  1.781
 N0N  C9   C7   aromatic  1.427  0.020  1.427
 N0N  C9   C10  aromatic  1.425  0.020  1.425
 N0N  C25  N24  single    1.447  0.020  1.447
 N0N  C7   C13  aromatic  1.370  0.020  1.370
 N0N  C14  C10  aromatic  1.433  0.020  1.433
 N0N  C14  N24  single    1.402  0.020  1.402
 N0N  C10  C11  aromatic  1.414  0.020  1.414
 N0N  N24  C26  single    1.457  0.020  1.457
 N0N  C13  C12  aromatic  1.403  0.020  1.403
 N0N  C11  C12  aromatic  1.366  0.020  1.366
 N0N  C4   H1   single    0.970  0.020  1.090
 N0N  C5   H2   single    0.970  0.020  1.090
 N0N  C6   H3   single    0.970  0.020  1.090
 N0N  C8   H4   single    0.970  0.020  1.090
 N0N  C8   H5   single    0.970  0.020  1.090
 N0N  C11  H6   single    0.930  0.020  1.080
 N0N  C12  H7   single    0.930  0.020  1.080
 N0N  C13  H8   single    0.930  0.020  1.080
 N0N  C15  H9   single    0.970  0.020  1.090
 N0N  C15  H10  single    0.970  0.020  1.090
 N0N  C2   H11  single    0.970  0.020  1.090
 N0N  C3   H12  single    0.970  0.020  1.090
 N0N  N7   H13  single    0.890  0.020  1.040
 N0N  O9   H15  single    0.850  0.020  0.980
 N0N  O10  H16  single    0.850  0.020  0.980
 N0N  O11  H17  single    0.850  0.020  0.980
 N0N  O12  H18  single    0.850  0.020  0.980
 N0N  C16  H19  single    0.970  0.020  1.090
 N0N  C16  H20  single    0.970  0.020  1.090
 N0N  C17  H21  single    0.970  0.020  1.090
 N0N  C17  H22  single    0.970  0.020  1.090
 N0N  C18  H23  single    0.970  0.020  1.090
 N0N  C18  H24  single    0.970  0.020  1.090
 N0N  C19  H25  single    0.970  0.020  1.090
 N0N  C19  H26  single    0.970  0.020  1.090
 N0N  C20  H27  single    0.970  0.020  1.090
 N0N  C20  H28  single    0.970  0.020  1.090
 N0N  N21  H29  single    0.890  0.020  1.040
 N0N  C21  H30  single    0.930  0.020  1.080
 N0N  C22  H31  single    0.930  0.020  1.080
 N0N  C23  H32  single    0.930  0.020  1.080
 N0N  C25  H33  single    0.970  0.020  1.090
 N0N  C25  H34  single    0.970  0.020  1.090
 N0N  C25  H35  single    0.970  0.020  1.090
 N0N  C26  H36  single    0.970  0.020  1.090
 N0N  C26  H37  single    0.970  0.020  1.090
 N0N  C26  H38  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
 N0N  H1   C4   N7   106.28  3.000
 N0N  H1   C4   C3   106.59  3.000
 N0N  N7   C4   C3   110.98  3.000
 N0N  H1   C4   C5   107.35  3.000
 N0N  N7   C4   C5   120.59  3.000
 N0N  C3   C4   C5   104.28  3.000
 N0N  H2   C5   C8   107.63  3.000
 N0N  H2   C5   C6   108.75  3.000
 N0N  C8   C5   C6   112.80  3.000
 N0N  H2   C5   C4   109.20  3.000
 N0N  C8   C5   C4   113.45  3.000
 N0N  C6   C5   C4   104.89  3.000
 N0N  H3   C6   O10  110.11  3.000
 N0N  H3   C6   C2   110.63  3.000
 N0N  O10  C6   C2   107.80  3.000
 N0N  H3   C6   C5   110.11  3.000
 N0N  C2   C6   C5   104.06  3.000
 N0N  O10  C6   C5   113.95  3.000
 N0N  S1   C7   C13  116.51  3.000
 N0N  C13  C7   C9   121.82  3.000
 N0N  S1   C7   C9   121.59  3.000
 N0N  H5   C8   H4   106.81  3.000
 N0N  H5   C8   O9   110.39  3.000
 N0N  H4   C8   O9   110.91  3.000
 N0N  H5   C8   C5   109.60  3.000
 N0N  H4   C8   C5   110.82  3.000
 N0N  O9   C8   C5   108.32  3.000
 N0N  C23  C9   C10  118.50  3.000
 N0N  C10  C9   C7   117.21  3.000
 N0N  C23  C9   C7   124.26  3.000
 N0N  C14  C10  C11  120.44  3.000
 N0N  C11  C10  C9   119.40  3.000
 N0N  C14  C10  C9   120.12  3.000
 N0N  H6   C11  C12  119.52  3.000
 N0N  H6   C11  C10  119.03  3.000
 N0N  C12  C11  C10  121.42  3.000
 N0N  H7   C12  C13  119.51  3.000
 N0N  H7   C12  C11  120.51  3.000
 N0N  C13  C12  C11  119.96  3.000
 N0N  H8   C13  C12  119.14  3.000
 N0N  H8   C13  C7   120.74  3.000
 N0N  C12  C13  C7   120.11  3.000
 N0N  N24  C14  C21  122.78  3.000
 N0N  N24  C14  C10  118.35  3.000
 N0N  C21  C14  C10  118.86  3.000
 N0N  H11  C2   O11  111.20  3.000
 N0N  H11  C2   C3   107.66  3.000
 N0N  O11  C2   C3   111.81  3.000
 N0N  H11  C2   C6   107.45  3.000
 N0N  C3   C2   C6   102.62  3.000
 N0N  O11  C2   C6   115.49  3.000
 N0N  H12  C3   O12  110.79  3.000
 N0N  H12  C3   C2   108.79  3.000
 N0N  O12  C3   C2   113.01  3.000
 N0N  H12  C3   C4   108.93  3.000
 N0N  C2   C3   C4   101.70  3.000
 N0N  O12  C3   C4   113.19  3.000
 N0N  H13  N7   C15  110.43  3.000
 N0N  H13  N7   C4   111.07  3.000
 N0N  C15  N7   C4   115.50  3.000
 N0N  H15  O9   C8   108.29  3.000
 N0N  H16  O10  C6   106.58  3.000
 N0N  H17  O11  C2   108.65  3.000
 N0N  H18  O12  C3   106.15  3.000
 N0N  H20  C16  H19  106.50  3.000
 N0N  H20  C16  C17  109.84  3.000
 N0N  H19  C16  C17  109.37  3.000
 N0N  H20  C16  C15  109.07  3.000
 N0N  H19  C16  C15  109.12  3.000
 N0N  C17  C16  C15  112.76  3.000
 N0N  H22  C17  H21  106.22  3.000
 N0N  H22  C17  C18  110.30  3.000
 N0N  H21  C17  C18  109.11  3.000
 N0N  H22  C17  C16  109.17  3.000
 N0N  H21  C17  C16  109.51  3.000
 N0N  C18  C17  C16  112.33  3.000
 N0N  H24  C18  H23  106.03  3.000
 N0N  H24  C18  C19  108.15  3.000
 N0N  H23  C18  C19  109.66  3.000
 N0N  H24  C18  C17  108.82  3.000
 N0N  H23  C18  C17  109.55  3.000
 N0N  C19  C18  C17  114.30  3.000
 N0N  H26  C19  H25  106.74  3.000
 N0N  H26  C19  C20  109.37  3.000
 N0N  H25  C19  C20  108.88  3.000
 N0N  H26  C19  C18  109.90  3.000
 N0N  H25  C19  C18  108.84  3.000
 N0N  C20  C19  C18  112.92  3.000
 N0N  H28  C20  H27  107.59  3.000
 N0N  H28  C20  N21  111.67  3.000
 N0N  H27  C20  N21  108.18  3.000
 N0N  H28  C20  C19  109.63  3.000
 N0N  H27  C20  C19  110.55  3.000
 N0N  N21  C20  C19  109.21  3.000
 N0N  H29  N21  S1   112.38  3.000
 N0N  H29  N21  C20  113.63  3.000
 N0N  S1   N21  C20  118.82  3.000
 N0N  O2   S1   N21  106.82  3.000
 N0N  O2   S1   C7   107.40  3.000
 N0N  N21  S1   C7   106.63  3.000
 N0N  C7   S1   O4   109.66  3.000
 N0N  O2   S1   O4   118.94  3.000
 N0N  N21  S1   O4   106.75  3.000
 N0N  H30  C21  C22  118.69  3.000
 N0N  H30  C21  C14  120.70  3.000
 N0N  C22  C21  C14  120.58  3.000
 N0N  H31  C22  C23  119.31  3.000
 N0N  H31  C22  C21  119.00  3.000
 N0N  C23  C22  C21  121.65  3.000
 N0N  H32  C23  C22  118.15  3.000
 N0N  H32  C23  C9   121.76  3.000
 N0N  C22  C23  C9   120.08  3.000
 N0N  C26  N24  C25  111.38  3.000
 N0N  C26  N24  C14  114.62  3.000
 N0N  C25  N24  C14  116.54  3.000
 N0N  H35  C25  H34  108.39  3.000
 N0N  H35  C25  H33  107.43  3.000
 N0N  H34  C25  H33  107.87  3.000
 N0N  H35  C25  N24  113.79  3.000
 N0N  H34  C25  N24  110.43  3.000
 N0N  H33  C25  N24  108.74  3.000
 N0N  H38  C26  H37  108.22  3.000
 N0N  H38  C26  H36  107.82  3.000
 N0N  H37  C26  H36  107.85  3.000
 N0N  H38  C26  N24  111.84  3.000
 N0N  H37  C26  N24  109.61  3.000
 N0N  H36  C26  N24  111.36  3.000
 N0N  H10  C15  H9   106.11  3.000
 N0N  H10  C15  C16  108.98  3.000
 N0N  H9   C15  C16  109.45  3.000
 N0N  H10  C15  N7   113.06  3.000
 N0N  H9   C15  N7   108.04  3.000
 N0N  C16  C15  N7   111.03  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
 N0N  CONST_01  C22  C23  C9   C7    180.00   0.0  0
 N0N  CONST_02  C14  C10  C9   C7    180.00   0.0  0
 N0N  CONST_03  C11  C10  C9   C7      0.00   0.0  0
 N0N  CONST_04  C11  C12  C13  C7      0.00   0.0  0
 N0N  CONST_05  C21  C22  C23  C9      0.00   0.0  0
 N0N  CONST_06  C12  C13  C7   C9      0.00   0.0  0
 N0N  CONST_07  C21  C14  C10  C9      0.00   0.0  0
 N0N  CONST_08  C12  C11  C10  C9      0.00   0.0  0
 N0N  CONST_09  C22  C23  C9   C10     0.00   0.0  0
 N0N  CONST_10  C13  C7   C9   C10     0.00   0.0  0
 N0N  CONST_11  C22  C21  C14  C10     0.00   0.0  0
 N0N  CONST_12  C13  C12  C11  C10     0.00   0.0  0
 N0N  CONST_13  C23  C9   C10  C11   180.00   0.0  0
 N0N  CONST_14  C21  C14  C10  C11   180.00   0.0  0
 N0N  CONST_15  C14  C10  C11  C12   180.00   0.0  0
 N0N  CONST_16  C23  C9   C7   C13   180.00   0.0  0
 N0N  CONST_17  C23  C22  C21  C14     0.00   0.0  0
 N0N  CONST_18  C23  C9   C10  C14     0.00   0.0  0
 N0N  CONST_19  N24  C14  C10  C9    180.00   0.0  0
 N0N  CONST_20  S1   C7   C9   C10   180.00   0.0  0
 N0N  CONST_21  N24  C14  C10  C11     0.00   0.0  0
 N0N  CONST_22  S1   C7   C13  C12   180.00   0.0  0
 N0N  CONST_23  C23  C9   C7   S1      0.00   0.0  0
 N0N  CONST_24  N24  C14  C21  C22   180.00   0.0  0
 N0N  CONST_25  H32  C23  C9   C7      0.00   0.0  0
 N0N  CONST_26  H7   C12  C13  C7    180.00   0.0  0
 N0N  CONST_27  H31  C22  C23  C9    180.00   0.0  0
 N0N  CONST_28  H8   C13  C7   C9    180.00   0.0  0
 N0N  CONST_29  H6   C11  C10  C9    180.00   0.0  0
 N0N  CONST_30  H30  C21  C14  C10   180.00   0.0  0
 N0N  Var_01    C9   C7   S1   O4    -48.87  30.0  2
 N0N  Var_02    C16  C15  N7   C4   -179.75  30.0  3
 N0N  Var_03    C20  N21  S1   C7     58.98  30.0  2
 N0N  Var_04    H33  C25  N24  C14  -166.09  30.0  3
 N0N  Var_05    H36  C26  N24  C14    45.36  30.0  3
 N0N  Var_06    C18  C17  C16  C15  -179.93  30.0  3
 N0N  Var_07    C17  C16  C15  N7    178.47  30.0  2
 N0N  Var_08    C19  C18  C17  C16   174.94  30.0  2
 N0N  Var_09    C20  C19  C18  C17    65.78  30.0  3
 N0N  Var_10    N21  C20  C19  C18   177.98  30.0  3
 N0N  Var_11    S1   N21  C20  C19   176.90  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
 N0N  chir_01  C4  C3   N7  C5  positiv
 N0N  chir_02  C5  C6   C4  C8  positiv
 N0N  chir_03  C6  O10  C2  C5  positiv
 N0N  chir_04  C2  O11  C3  C6  positiv
 N0N  chir_05  C3  O12  C2  C4  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
 N0N  plan-1  C7   0.020
 N0N  plan-1  C9   0.020
 N0N  plan-1  C10  0.020
 N0N  plan-1  C11  0.020
 N0N  plan-1  C12  0.020
 N0N  plan-1  C13  0.020
 N0N  plan-1  C14  0.020
 N0N  plan-1  S1   0.020
 N0N  plan-1  C21  0.020
 N0N  plan-1  C22  0.020
 N0N  plan-1  C23  0.020
 N0N  plan-1  N24  0.020
 N0N  plan-1  H6   0.020
 N0N  plan-1  H7   0.020
 N0N  plan-1  H8   0.020
 N0N  plan-1  H30  0.020
 N0N  plan-1  H31  0.020
 N0N  plan-1  H32  0.020
 N0N  plan-2  C14  0.020
 N0N  plan-2  N24  0.020
 N0N  plan-2  C25  0.020
 N0N  plan-2  C26  0.020

