# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Apr 25 13:03:00 2020
#   Inital geometry file: a 146 line input string
#   Ligand name: 3-({3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl}amino)-N-[(7-oxo-7,8-dihydro-1,8-naphthyridin-2-yl)methyl]propanamide (non-preferred name)
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cc1ccc2ccc(NC(=O)CCNCCC(=O)NCc3ccc4C=CC(=O)Nc4n3)nc2n1
#
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
 NAZ  NAZ  '3-({3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl}amino)-N-[(7-oxo-7,8-dihydro-1,8-naphthyridin-2-yl)methyl]propanamide (non-preferred name)'  ligand  59  34  .  2021-08-15  2021-08-15  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_NAZ
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
 NAZ  C1   C  CH2   0  -0.270   -5.5588   2.0662   0.5326
 NAZ  O2   O  O     0  -0.512   -2.8927   2.8608   0.5928
 NAZ  C3   C  CH2   0  -0.245   -0.7193   1.1148   0.1141
 NAZ  N4   N  NH1   0  -0.599    0.2735   0.0602   0.1910
 NAZ  C5   C  CH2   0  -0.249    1.6191   0.5470  -0.0556
 NAZ  C6   C  CH2   0  -0.612    2.6221  -0.5854   0.0583
 NAZ  C7   C  C     0   0.561    4.0564  -0.0951  -0.0676
 NAZ  C8   C  CR6   0   0.526    6.3198  -1.0715  -0.4936
 NAZ  C9   C  CR16  0  -0.383    6.9428  -2.2272  -1.0431
 NAZ  N10  N  N     0  -0.380    6.9712  -0.0264  -0.0841
 NAZ  C11  C  CR16  0  -0.161    8.2982  -2.2378  -1.1472
 NAZ  C12  C  CR66  0   0.338    8.3143  -0.0181  -0.1885
 NAZ  C13  C  CR66  0  -0.024    9.0347  -1.1147  -0.7186
 NAZ  C14  C  CR16  0  -0.305   11.0407   0.1219  -0.3392
 NAZ  C15  C  CR16  0  -0.172   10.4373  -1.0157  -0.7847
 NAZ  C16  C  CR6   0   0.244   10.2372   1.1693   0.1792
 NAZ  N17  N  N     0  -0.383    8.9336   1.0944   0.2489
 NAZ  N18  N  NH1   0  -0.743    4.9336  -1.1089  -0.3919
 NAZ  C19  C  CH3   0  -0.718   10.8903   2.4253   0.6673
 NAZ  O20  O  O     0  -0.358    4.3667   1.0507   0.1163
 NAZ  C21  C  CH2   0  -0.589   -2.0805   0.5974   0.5473
 NAZ  C22  C  C     0   0.581   -3.1537   1.6664   0.5283
 NAZ  N23  N  NH1   0  -0.652   -4.4095   1.2078   0.4631
 NAZ  C24  C  CR6   0   0.537   -8.7300  -3.0500   0.2129
 NAZ  C25  C  CR16  0  -0.414  -10.0542  -2.4675   0.4116
 NAZ  N26  N  NR16  0  -0.727   -7.6973  -2.1239   0.2321
 NAZ  C27  C  CR16  0  -0.141  -10.2278  -1.1470   0.5922
 NAZ  C28  C  CR66  0   0.518   -7.8316  -0.7818   0.4109
 NAZ  C29  C  CR66  0  -0.050   -9.1136  -0.2449   0.5958
 NAZ  C30  C  CR16  0  -0.312   -8.0526   1.8993   0.7537
 NAZ  C31  C  CR16  0  -0.172   -9.1980   1.1352   0.7704
 NAZ  C32  C  CR6   0   0.245   -6.8279   1.2570   0.5638
 NAZ  N33  N  N     0  -0.493   -6.7239  -0.0486   0.3992
 NAZ  H36  H  HCH2  0   0.264   -5.5175   2.7002   1.4226
 NAZ  H37  H  HCH2  0   0.257   -5.5968   2.7416  -0.3287
 NAZ  H38  H  HCH2  0   0.230   -0.4114   1.9194   0.7849
 NAZ  H39  H  HCH2  0   0.199   -0.7892   1.5585  -0.8902
 NAZ  H40  H  HNH1  0   0.319    0.0512  -0.6448  -0.5027
 NAZ  H41  H  HCH2  0   0.242    1.8509   1.3084   0.6915
 NAZ  H42  H  HCH2  0   0.209    1.7224   1.0300  -1.0379
 NAZ  H43  H  HCH2  0   0.220    2.4116  -1.3518  -0.6956
 NAZ  H44  H  HCH2  0   0.268    2.5157  -1.0754   1.0318
 NAZ  H45  H  HCR6  0   0.228    6.3536  -3.0727  -1.3752
 NAZ  H46  H  HCR6  0   0.232    8.8126  -3.0972  -1.5591
 NAZ  H47  H  HCR6  0   0.232   12.1160   0.2354  -0.3740
 NAZ  H48  H  HCR6  0   0.229   11.0177  -1.8381  -1.1861
 NAZ  H49  H  HNH1  0   0.372    4.5164  -2.0015  -0.5958
 NAZ  H50  H  HCH3  0   0.237   11.3799   2.9523  -0.1538
 NAZ  H51  H  HCH3  0   0.264   10.1520   3.0882   1.1102
 NAZ  H52  H  HCH3  0   0.233   11.6585   2.2086   1.4111
 NAZ  H53  H  HCH2  0   0.230   -2.3856  -0.2479  -0.0775
 NAZ  H54  H  HCH2  0   0.267   -2.0082   0.2073   1.5675
 NAZ  H55  H  HNH1  0   0.388   -4.6016   0.2187   0.4019
 NAZ  H56  H  HCR6  0   0.270  -10.8880  -3.1547   0.4070
 NAZ  H35  H  HNR6  0   0.386   -6.7622  -2.4835   0.0988
 NAZ  H57  H  HCR6  0   0.247  -11.2220  -0.7432   0.7403
 NAZ  H58  H  HCR6  0   0.244   -8.0939   2.9715   0.8874
 NAZ  H59  H  HCR6  0   0.246  -10.1651   1.5986   0.9217
 NAZ  O34  O  OC    0  -0.401   -8.5071  -4.2279   0.0437

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
 NAZ  C1   N23  single    1.436  0.020  1.436
 NAZ  C1   C32  single    1.505  0.020  1.505
 NAZ  C1   H36  single    0.970  0.020  1.090
 NAZ  C1   H37  single    0.970  0.020  1.090
 NAZ  O2   C22  double    1.224  0.020  1.224
 NAZ  C3   N4   single    1.450  0.020  1.450
 NAZ  C3   C21  single    1.519  0.020  1.519
 NAZ  C3   H38  single    0.970  0.020  1.090
 NAZ  C3   H39  single    0.970  0.020  1.090
 NAZ  N4   C5   single    1.452  0.020  1.452
 NAZ  N4   H40  single    0.890  0.020  1.040
 NAZ  C5   C6   single    1.517  0.020  1.517
 NAZ  C5   H41  single    0.970  0.020  1.090
 NAZ  C5   H42  single    0.970  0.020  1.090
 NAZ  C6   C7   single    1.521  0.020  1.521
 NAZ  C6   H43  single    0.970  0.020  1.090
 NAZ  C6   H44  single    0.970  0.020  1.090
 NAZ  C7   N18  single    1.379  0.020  1.379
 NAZ  C7   O20  double    1.201  0.020  1.201
 NAZ  C8   C9   aromatic  1.423  0.020  1.423
 NAZ  C8   N10  aromatic  1.298  0.020  1.298
 NAZ  C8   N18  single    1.390  0.020  1.390
 NAZ  C9   C11  aromatic  1.359  0.020  1.359
 NAZ  C9   H45  single    0.930  0.020  1.080
 NAZ  N10  C12  aromatic  1.347  0.020  1.347
 NAZ  C11  C13  aromatic  1.410  0.020  1.410
 NAZ  C11  H46  single    0.930  0.020  1.080
 NAZ  C12  C13  aromatic  1.415  0.020  1.415
 NAZ  C12  N17  aromatic  1.346  0.020  1.346
 NAZ  C13  C15  aromatic  1.408  0.020  1.408
 NAZ  C14  C15  aromatic  1.363  0.020  1.363
 NAZ  C14  C16  aromatic  1.418  0.020  1.418
 NAZ  C14  H47  single    0.930  0.020  1.080
 NAZ  C15  H48  single    0.930  0.020  1.080
 NAZ  C16  N17  aromatic  1.308  0.020  1.308
 NAZ  C16  C19  single    1.497  0.020  1.497
 NAZ  N18  H49  single    0.860  0.020  1.020
 NAZ  C19  H50  single    0.970  0.020  1.090
 NAZ  C19  H51  single    0.970  0.020  1.090
 NAZ  C19  H52  single    0.970  0.020  1.090
 NAZ  C21  C22  single    1.515  0.020  1.515
 NAZ  C21  H53  single    0.970  0.020  1.090
 NAZ  C21  H54  single    0.970  0.020  1.090
 NAZ  C22  N23  single    1.338  0.020  1.338
 NAZ  N23  H55  single    0.860  0.020  1.020
 NAZ  C24  C25  aromatic  1.460  0.020  1.460
 NAZ  C24  N26  aromatic  1.387  0.020  1.387
 NAZ  C24  O34  double    1.211  0.020  1.211
 NAZ  C25  C27  aromatic  1.344  0.020  1.344
 NAZ  C25  H56  single    0.930  0.020  1.080
 NAZ  N26  C28  aromatic  1.361  0.020  1.361
 NAZ  N26  H35  single    0.860  0.020  1.020
 NAZ  C27  C29  aromatic  1.434  0.020  1.434
 NAZ  C27  H57  single    0.930  0.020  1.080
 NAZ  C28  C29  aromatic  1.402  0.020  1.402
 NAZ  C28  N33  aromatic  1.328  0.020  1.328
 NAZ  C29  C31  aromatic  1.394  0.020  1.394
 NAZ  C30  C31  aromatic  1.377  0.020  1.377
 NAZ  C30  C32  aromatic  1.396  0.020  1.396
 NAZ  C30  H58  single    0.930  0.020  1.080
 NAZ  C31  H59  single    0.930  0.020  1.080
 NAZ  C32  N33  aromatic  1.320  0.020  1.320

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
 NAZ  H37  C1   H36  106.49  3.000
 NAZ  H37  C1   C32  108.58  3.000
 NAZ  H36  C1   C32  109.06  3.000
 NAZ  H37  C1   N23  110.99  3.000
 NAZ  H36  C1   N23  110.84  3.000
 NAZ  C32  C1   N23  110.76  3.000
 NAZ  H39  C3   H38  106.35  3.000
 NAZ  H39  C3   C21  109.92  3.000
 NAZ  H38  C3   C21  109.17  3.000
 NAZ  H39  C3   N4   112.65  3.000
 NAZ  H38  C3   N4   108.07  3.000
 NAZ  C21  C3   N4   110.53  3.000
 NAZ  H40  N4   C5   108.67  3.000
 NAZ  H40  N4   C3   108.62  3.000
 NAZ  C5   N4   C3   112.43  3.000
 NAZ  H42  C5   H41  106.56  3.000
 NAZ  H42  C5   C6   109.44  3.000
 NAZ  H41  C5   C6   109.21  3.000
 NAZ  H42  C5   N4   112.71  3.000
 NAZ  H41  C5   N4   108.32  3.000
 NAZ  C6   C5   N4   110.47  3.000
 NAZ  H44  C6   H43  106.27  3.000
 NAZ  H44  C6   C7   108.03  3.000
 NAZ  H43  C6   C7   110.48  3.000
 NAZ  H44  C6   C5   109.66  3.000
 NAZ  H43  C6   C5   110.09  3.000
 NAZ  C7   C6   C5   112.12  3.000
 NAZ  O20  C7   N18  124.95  3.000
 NAZ  O20  C7   C6   122.57  3.000
 NAZ  N18  C7   C6   112.47  3.000
 NAZ  N18  C8   N10  119.93  3.000
 NAZ  N18  C8   C9   116.28  3.000
 NAZ  N10  C8   C9   123.78  3.000
 NAZ  H45  C9   C11  120.86  3.000
 NAZ  H45  C9   C8   120.95  3.000
 NAZ  C11  C9   C8   118.19  3.000
 NAZ  C12  N10  C8   118.74  3.000
 NAZ  H46  C11  C13  119.98  3.000
 NAZ  H46  C11  C9   120.60  3.000
 NAZ  C13  C11  C9   119.43  3.000
 NAZ  N17  C12  C13  121.87  3.000
 NAZ  N17  C12  N10  116.00  3.000
 NAZ  C13  C12  N10  122.13  3.000
 NAZ  C15  C13  C12  118.05  3.000
 NAZ  C15  C13  C11  124.21  3.000
 NAZ  C12  C13  C11  117.73  3.000
 NAZ  H47  C14  C16  119.83  3.000
 NAZ  H47  C14  C15  121.15  3.000
 NAZ  C16  C14  C15  119.02  3.000
 NAZ  H48  C15  C14  121.17  3.000
 NAZ  H48  C15  C13  119.85  3.000
 NAZ  C14  C15  C13  118.99  3.000
 NAZ  C19  C16  N17  117.74  3.000
 NAZ  C19  C16  C14  119.44  3.000
 NAZ  N17  C16  C14  122.82  3.000
 NAZ  C16  N17  C12  119.24  3.000
 NAZ  H49  N18  C8   114.99  3.000
 NAZ  H49  N18  C7   115.85  3.000
 NAZ  C8   N18  C7   129.16  3.000
 NAZ  H52  C19  H51  108.76  3.000
 NAZ  H52  C19  H50  107.03  3.000
 NAZ  H51  C19  H50  108.47  3.000
 NAZ  H52  C19  C16  111.26  3.000
 NAZ  H51  C19  C16  110.38  3.000
 NAZ  H50  C19  C16  110.82  3.000
 NAZ  H54  C21  H53  105.97  3.000
 NAZ  H54  C21  C22  108.06  3.000
 NAZ  H53  C21  C22  109.90  3.000
 NAZ  H54  C21  C3   109.14  3.000
 NAZ  H53  C21  C3   110.48  3.000
 NAZ  C22  C21  C3   113.01  3.000
 NAZ  N23  C22  C21  115.06  3.000
 NAZ  N23  C22  O2   122.47  3.000
 NAZ  C21  C22  O2   122.46  3.000
 NAZ  H55  N23  C22  121.14  3.000
 NAZ  H55  N23  C1   115.87  3.000
 NAZ  C22  N23  C1   122.94  3.000
 NAZ  O34  C24  N26  120.95  3.000
 NAZ  O34  C24  C25  125.03  3.000
 NAZ  N26  C24  C25  114.01  3.000
 NAZ  H56  C25  C27  121.72  3.000
 NAZ  H56  C25  C24  116.46  3.000
 NAZ  C27  C25  C24  121.82  3.000
 NAZ  H35  N26  C28  117.36  3.000
 NAZ  H35  N26  C24  116.71  3.000
 NAZ  C28  N26  C24  125.93  3.000
 NAZ  H57  C27  C29  118.58  3.000
 NAZ  H57  C27  C25  120.21  3.000
 NAZ  C29  C27  C25  121.21  3.000
 NAZ  N33  C28  C29  123.52  3.000
 NAZ  N33  C28  N26  117.45  3.000
 NAZ  C29  C28  N26  119.03  3.000
 NAZ  C31  C29  C28  116.81  3.000
 NAZ  C31  C29  C27  125.19  3.000
 NAZ  C28  C29  C27  117.99  3.000
 NAZ  H58  C30  C32  120.44  3.000
 NAZ  H58  C30  C31  121.13  3.000
 NAZ  C32  C30  C31  118.43  3.000
 NAZ  H59  C31  C30  120.46  3.000
 NAZ  H59  C31  C29  119.69  3.000
 NAZ  C30  C31  C29  119.84  3.000
 NAZ  N33  C32  C30  122.76  3.000
 NAZ  N33  C32  C1   117.56  3.000
 NAZ  C30  C32  C1   119.68  3.000
 NAZ  C32  N33  C28  118.63  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
 NAZ  CONST_01  C13  C11  C9   C8      0.00   0.0  0
 NAZ  CONST_02  C13  C12  N10  C8      0.00   0.0  0
 NAZ  CONST_03  N17  C12  N10  C8    180.00   0.0  0
 NAZ  CONST_04  C12  N10  C8   C9      0.00   0.0  0
 NAZ  CONST_05  C12  C13  C11  C9      0.00   0.0  0
 NAZ  CONST_06  C15  C13  C11  C9    180.00   0.0  0
 NAZ  CONST_07  C11  C9   C8   N10     0.00   0.0  0
 NAZ  CONST_08  C11  C13  C12  N10     0.00   0.0  0
 NAZ  CONST_09  C15  C13  C12  N10   180.00   0.0  0
 NAZ  CONST_10  C16  N17  C12  N10   180.00   0.0  0
 NAZ  CONST_11  N17  C12  C13  C11   180.00   0.0  0
 NAZ  CONST_12  C14  C15  C13  C11   180.00   0.0  0
 NAZ  CONST_13  C14  C15  C13  C12     0.00   0.0  0
 NAZ  CONST_14  C14  C16  N17  C12     0.00   0.0  0
 NAZ  CONST_15  C16  N17  C12  C13     0.00   0.0  0
 NAZ  CONST_16  C16  C14  C15  C13     0.00   0.0  0
 NAZ  CONST_17  N17  C12  C13  C15     0.00   0.0  0
 NAZ  CONST_18  N17  C16  C14  C15     0.00   0.0  0
 NAZ  CONST_19  C29  C27  C25  C24     0.00   0.0  0
 NAZ  CONST_20  C29  C28  N26  C24     0.00   0.0  0
 NAZ  CONST_21  N33  C28  N26  C24   180.00   0.0  0
 NAZ  CONST_22  C28  N26  C24  C25     0.00   0.0  0
 NAZ  CONST_23  C28  C29  C27  C25     0.00   0.0  0
 NAZ  CONST_24  C31  C29  C27  C25   180.00   0.0  0
 NAZ  CONST_25  C27  C25  C24  N26     0.00   0.0  0
 NAZ  CONST_26  C27  C29  C28  N26     0.00   0.0  0
 NAZ  CONST_27  C31  C29  C28  N26   180.00   0.0  0
 NAZ  CONST_28  C32  N33  C28  N26   180.00   0.0  0
 NAZ  CONST_29  N33  C28  C29  C27   180.00   0.0  0
 NAZ  CONST_30  C30  C31  C29  C27   180.00   0.0  0
 NAZ  CONST_31  C30  C31  C29  C28     0.00   0.0  0
 NAZ  CONST_32  C30  C32  N33  C28     0.00   0.0  0
 NAZ  CONST_33  C32  N33  C28  C29     0.00   0.0  0
 NAZ  CONST_34  C32  C30  C31  C29     0.00   0.0  0
 NAZ  CONST_35  N33  C28  C29  C31     0.00   0.0  0
 NAZ  CONST_36  N33  C32  C30  C31     0.00   0.0  0
 NAZ  CONST_37  C31  C30  C32  C1    180.00   0.0  0
 NAZ  CONST_38  C28  N33  C32  C1    180.00   0.0  0
 NAZ  CONST_39  N18  C8   C9   C11   180.00   0.0  0
 NAZ  CONST_40  N18  C8   N10  C12   180.00   0.0  0
 NAZ  CONST_41  C19  C16  N17  C12   180.00   0.0  0
 NAZ  CONST_42  C19  C16  C14  C15   180.00   0.0  0
 NAZ  CONST_43  O34  C24  C25  C27   180.00   0.0  0
 NAZ  CONST_44  O34  C24  N26  C28   180.00   0.0  0
 NAZ  CONST_45  H46  C11  C9   C8    180.00   0.0  0
 NAZ  CONST_46  H45  C9   C8   N10   180.00   0.0  0
 NAZ  CONST_47  H48  C15  C13  C11     0.00   0.0  0
 NAZ  CONST_48  H47  C14  C15  C13   180.00   0.0  0
 NAZ  CONST_49  H57  C27  C25  C24   180.00   0.0  0
 NAZ  CONST_50  H35  N26  C24  C25   180.00   0.0  0
 NAZ  CONST_51  H56  C25  C24  N26   180.00   0.0  0
 NAZ  CONST_52  H59  C31  C29  C27     0.00   0.0  0
 NAZ  CONST_53  H58  C30  C31  C29   180.00   0.0  0
 NAZ  CONST_54  C9   C8   N18  C7    180.00   0.0  0
 NAZ  CONST_55  N10  C8   N18  C7      0.00   0.0  0
 NAZ  CONST_56  H49  N18  C8   C9      0.00   0.0  0
 NAZ  CONST_57  C8   N18  C7   C6    180.00   0.0  0
 NAZ  CONST_58  O20  C7   N18  C8      0.00   0.0  0
 NAZ  CONST_59  O2   C22  N23  C1      0.00   0.0  0
 NAZ  CONST_60  C21  C22  N23  C1    180.00   0.0  0
 NAZ  CONST_61  H55  N23  C22  O2    180.00   0.0  0
 NAZ  Var_01    C30  C32  C1   N23   174.19  30.0  2
 NAZ  Var_02    H50  C19  C16  C14    64.75  30.0  2
 NAZ  Var_03    C32  C1   N23  C22  -174.64  30.0  1
 NAZ  Var_04    C3   C21  C22  O2    -22.41  30.0  1
 NAZ  Var_05    C6   C5   N4   C3    179.06  30.0  3
 NAZ  Var_06    C22  C21  C3   N4    178.27  30.0  3
 NAZ  Var_07    C7   C6   C5   N4   -174.79  30.0  3
 NAZ  Var_08    C21  C3   N4   C5   -172.93  30.0  1
 NAZ  Var_09    N18  C7   C6   C5   -160.63  30.0  3

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
 NAZ  plan-1  C8   0.020
 NAZ  plan-1  C9   0.020
 NAZ  plan-1  N10  0.020
 NAZ  plan-1  C11  0.020
 NAZ  plan-1  C12  0.020
 NAZ  plan-1  C13  0.020
 NAZ  plan-1  C14  0.020
 NAZ  plan-1  C15  0.020
 NAZ  plan-1  C16  0.020
 NAZ  plan-1  N17  0.020
 NAZ  plan-1  N18  0.020
 NAZ  plan-1  C19  0.020
 NAZ  plan-1  H45  0.020
 NAZ  plan-1  H46  0.020
 NAZ  plan-1  H47  0.020
 NAZ  plan-1  H48  0.020
 NAZ  plan-2  C1   0.020
 NAZ  plan-2  C24  0.020
 NAZ  plan-2  C25  0.020
 NAZ  plan-2  N26  0.020
 NAZ  plan-2  C27  0.020
 NAZ  plan-2  C28  0.020
 NAZ  plan-2  C29  0.020
 NAZ  plan-2  C30  0.020
 NAZ  plan-2  C31  0.020
 NAZ  plan-2  C32  0.020
 NAZ  plan-2  N33  0.020
 NAZ  plan-2  H56  0.020
 NAZ  plan-2  H35  0.020
 NAZ  plan-2  H57  0.020
 NAZ  plan-2  H58  0.020
 NAZ  plan-2  H59  0.020
 NAZ  plan-2  O34  0.020
 NAZ  plan-3  C6   0.020
 NAZ  plan-3  C7   0.020
 NAZ  plan-3  C8   0.020
 NAZ  plan-3  N18  0.020
 NAZ  plan-3  O20  0.020
 NAZ  plan-3  H49  0.020
 NAZ  plan-4  C1   0.020
 NAZ  plan-4  O2   0.020
 NAZ  plan-4  C21  0.020
 NAZ  plan-4  C22  0.020
 NAZ  plan-4  N23  0.020
 NAZ  plan-4  H55  0.020

