# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Mar 19 01:00:20 2022
#   Inital geometry file: a 169 line input string
#   Ligand name: diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCO[P](=O)(COc1ccc(CCc2cnc3N(CC)c4ncccc4N(C)C(=O)c3c2)cc1)OCC
#
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
 NVE  NVE  'diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate'  ligand  70  37  .  2022-09-15  2022-09-16
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_NVE
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
 NVE  C1   C  CH3   0  -0.679    8.2636  -1.8401  -0.6287
 NVE  C2   C  CH2   0  -0.290    6.7715  -1.8833  -0.9092
 NVE  N3   N  NT    0  -0.558    6.0672  -0.8208  -0.1935
 NVE  C4   C  CR6   0   0.426    6.3869   0.5042  -0.5287
 NVE  C5   C  CR6   0   0.220    6.2487   1.5167   0.4257
 NVE  N6   N  NT    0  -0.563    5.9635   1.2287   1.7734
 NVE  C7   C  CH3   0  -0.553    6.7163   1.9490   2.7925
 NVE  C8   C  C     0   0.551    4.8788   0.5191   2.1755
 NVE  O9   O  O     0  -0.464    4.5209   0.5205   3.3423
 NVE  C10  C  CR6   0  -0.181    4.1284  -0.2918   1.1797
 NVE  C11  C  CR16  0  -0.205    2.7773  -0.5070   1.4199
 NVE  C12  C  CR6   0   0.030    2.0600  -1.4365   0.6816
 NVE  C13  C  CR16  0  -0.088    2.7861  -2.1599  -0.2556
 NVE  N14  N  N     0  -0.429    4.0683  -1.9586  -0.5200
 NVE  C15  C  CR6   0   0.449    4.7313  -1.0294   0.1501
 NVE  C16  C  CR16  0  -0.179    6.4979   2.8219   0.0240
 NVE  C17  C  CR16  0  -0.340    6.9219   3.0699  -1.2713
 NVE  C18  C  CR16  0  -0.070    7.0807   1.9899  -2.1212
 NVE  N19  N  N     0  -0.417    6.8004   0.7451  -1.7593
 NVE  C20  C  CH3   0  -0.689   -4.1337   1.0687  -2.2550
 NVE  C21  C  CH2   0  -0.166   -5.5429   0.5564  -2.0941
 NVE  O22  O  O2    0  -0.597   -6.0400   0.9852  -0.8132
 NVE  P23  P  P     0   1.381   -7.3162   0.3110  -0.1171
 NVE  C24  C  CH2   0  -0.459   -6.6614  -0.5012   1.3784
 NVE  C26  C  CR6   0   0.369   -4.4566  -1.2332   0.7603
 NVE  C27  C  CR16  0  -0.339   -3.7599  -0.2047   1.3822
 NVE  C28  C  CR16  0  -0.295   -2.4064  -0.0374   1.1197
 NVE  C29  C  CR6   0   0.103   -1.7199  -0.8701   0.2439
 NVE  C30  C  CR16  0  -0.286   -2.4371  -1.8965  -0.3678
 NVE  C31  C  CR16  0  -0.328   -3.7872  -2.0789  -0.1201
 NVE  C32  C  CH2   0  -0.505   -0.2468  -0.7010   0.0026
 NVE  C33  C  CH2   0  -0.509    0.5890  -1.6459   0.8793
 NVE  O34  O  O2    0  -0.587   -8.0887   1.5416   0.5460
 NVE  C35  C  CH2   0  -0.173   -8.8973   2.4256  -0.2560
 NVE  C36  C  CH3   0  -0.685   -9.6742   3.3322   0.6660
 NVE  O37  O  O     0  -0.713   -8.1055  -0.5656  -1.0167
 NVE  H1   H  HCH3  0   0.233    8.7328  -0.9309  -1.0028
 NVE  H2   H  HCH3  0   0.228    8.4590  -1.9123   0.4413
 NVE  H3   H  HCH3  0   0.237    8.7483  -2.6854  -1.1176
 NVE  H4   H  HCH2  0   0.231    6.5777  -1.8446  -1.9835
 NVE  H5   H  HCH2  0   0.249    6.3686  -2.8271  -0.5489
 NVE  H6   H  HCH3  0   0.252    6.2155   2.8665   3.1034
 NVE  H7   H  HCH3  0   0.268    6.8547   1.3187   3.6668
 NVE  H8   H  HCH3  0   0.260    7.6955   2.1995   2.3936
 NVE  H9   H  HCR6  0   0.267    2.2874   0.0404   2.2165
 NVE  H10  H  HCR6  0   0.264    2.3013  -2.9454  -0.8280
 NVE  H11  H  HCR6  0   0.292    6.3867   3.6390   0.7250
 NVE  H12  H  HCR6  0   0.276    7.1342   4.0750  -1.6064
 NVE  H13  H  HCR6  0   0.268    7.4438   2.1296  -3.1327
 NVE  H14  H  HCH3  0   0.232   -4.0922   2.1566  -2.1967
 NVE  H15  H  HCH3  0   0.250   -3.4712   0.6499  -1.4978
 NVE  H16  H  HCH3  0   0.233   -3.7562   0.7731  -3.2342
 NVE  H17  H  HCH2  0   0.237   -6.1919   0.9514  -2.8780
 NVE  H18  H  HCH2  0   0.228   -5.5589  -0.5330  -2.1641
 NVE  H19  H  HCH2  0   0.274   -6.2230   0.2254   2.0644
 NVE  H20  H  HCH2  0   0.300   -7.4871  -0.9833   1.9039
 NVE  H21  H  HCR6  0   0.272   -4.2404   0.4753   2.0727
 NVE  H22  H  HCR6  0   0.251   -1.8793   0.7721   1.6111
 NVE  H23  H  HCR6  0   0.249   -1.9361  -2.5630  -1.0612
 NVE  H24  H  HCR6  0   0.263   -4.3303  -2.8778  -0.6099
 NVE  H25  H  HCH2  0   0.250   -0.0114  -0.8905  -1.0481
 NVE  H26  H  HCH2  0   0.252    0.0496   0.3306   0.2082
 NVE  H27  H  HCH2  0   0.255    0.3235  -2.6802   0.6468
 NVE  H28  H  HCH2  0   0.256    0.3298  -1.4843   1.9286
 NVE  H29  H  HCH2  0   0.236   -8.2483   3.0087  -0.9131
 NVE  H30  H  HCH2  0   0.236   -9.5741   1.8395  -0.8805
 NVE  H31  H  HCH3  0   0.237  -10.3386   2.7641   1.3170
 NVE  H32  H  HCH3  0   0.238   -9.0108   3.9371   1.2835
 NVE  H33  H  HCH3  0   0.240  -10.2860   4.0087   0.0697
 NVE  O25  O  O2    0  -0.495   -5.7694  -1.5205   0.9812

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
 NVE  C20  C21  single    1.508  0.020  1.508
 NVE  C21  O22  single    1.439  0.020  1.439
 NVE  C28  C27  aromatic  1.389  0.020  1.389
 NVE  C28  C29  aromatic  1.390  0.020  1.390
 NVE  C27  C26  aromatic  1.389  0.020  1.389
 NVE  C35  O34  single    1.442  0.020  1.442
 NVE  C35  C36  single    1.508  0.020  1.508
 NVE  C33  C32  single    1.536  0.020  1.536
 NVE  C33  C12  single    1.499  0.020  1.499
 NVE  C13  N14  aromatic  1.325  0.020  1.325
 NVE  C13  C12  aromatic  1.389  0.020  1.389
 NVE  O22  P23  single    1.602  0.020  1.602
 NVE  O34  P23  single    1.597  0.020  1.597
 NVE  N14  C15  aromatic  1.324  0.020  1.324
 NVE  O25  C26  single    1.362  0.020  1.362
 NVE  O25  C24  single    1.411  0.020  1.411
 NVE  C29  C32  single    1.502  0.020  1.502
 NVE  C29  C30  aromatic  1.394  0.020  1.394
 NVE  C26  C31  aromatic  1.392  0.020  1.392
 NVE  C12  C11  aromatic  1.387  0.020  1.387
 NVE  C1   C2   single    1.519  0.020  1.519
 NVE  P23  C24  single    1.823  0.020  1.823
 NVE  P23  O37  double    1.483  0.020  1.483
 NVE  C30  C31  aromatic  1.385  0.020  1.385
 NVE  C15  N3   single    1.395  0.020  1.395
 NVE  C15  C10  aromatic  1.403  0.020  1.403
 NVE  C2   N3   single    1.462  0.020  1.462
 NVE  C11  C10  aromatic  1.389  0.020  1.389
 NVE  N3   C4   single    1.404  0.020  1.404
 NVE  C10  C8   single    1.487  0.020  1.487
 NVE  N19  C4   aromatic  1.320  0.020  1.320
 NVE  N19  C18  aromatic  1.326  0.020  1.326
 NVE  C4   C5   aromatic  1.398  0.020  1.398
 NVE  C18  C17  aromatic  1.383  0.020  1.383
 NVE  C8   O9   double    1.220  0.020  1.220
 NVE  C8   N6   single    1.357  0.020  1.357
 NVE  C5   N6   single    1.407  0.020  1.407
 NVE  C5   C16  aromatic  1.388  0.020  1.388
 NVE  N6   C7   single    1.458  0.020  1.458
 NVE  C17  C16  aromatic  1.385  0.020  1.385
 NVE  C1   H1   single    0.970  0.020  1.090
 NVE  C1   H2   single    0.970  0.020  1.090
 NVE  C1   H3   single    0.970  0.020  1.090
 NVE  C2   H4   single    0.970  0.020  1.090
 NVE  C2   H5   single    0.970  0.020  1.090
 NVE  C7   H6   single    0.970  0.020  1.090
 NVE  C7   H7   single    0.970  0.020  1.090
 NVE  C7   H8   single    0.970  0.020  1.090
 NVE  C11  H9   single    0.930  0.020  1.080
 NVE  C13  H10  single    0.930  0.020  1.080
 NVE  C16  H11  single    0.930  0.020  1.080
 NVE  C17  H12  single    0.930  0.020  1.080
 NVE  C18  H13  single    0.930  0.020  1.080
 NVE  C20  H14  single    0.970  0.020  1.090
 NVE  C20  H15  single    0.970  0.020  1.090
 NVE  C20  H16  single    0.970  0.020  1.090
 NVE  C21  H17  single    0.970  0.020  1.090
 NVE  C21  H18  single    0.970  0.020  1.090
 NVE  C24  H19  single    0.970  0.020  1.090
 NVE  C24  H20  single    0.970  0.020  1.090
 NVE  C27  H21  single    0.930  0.020  1.080
 NVE  C28  H22  single    0.930  0.020  1.080
 NVE  C30  H23  single    0.930  0.020  1.080
 NVE  C31  H24  single    0.930  0.020  1.080
 NVE  C32  H25  single    0.970  0.020  1.090
 NVE  C32  H26  single    0.970  0.020  1.090
 NVE  C33  H27  single    0.970  0.020  1.090
 NVE  C33  H28  single    0.970  0.020  1.090
 NVE  C35  H29  single    0.970  0.020  1.090
 NVE  C35  H30  single    0.970  0.020  1.090
 NVE  C36  H31  single    0.970  0.020  1.090
 NVE  C36  H32  single    0.970  0.020  1.090
 NVE  C36  H33  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
 NVE  H3   C1   H2   108.00  3.000
 NVE  H3   C1   H1   107.56  3.000
 NVE  H2   C1   H1   108.37  3.000
 NVE  H3   C1   C2   109.39  3.000
 NVE  H2   C1   C2   110.82  3.000
 NVE  H1   C1   C2   112.55  3.000
 NVE  H5   C2   H4   106.91  3.000
 NVE  H5   C2   N3   106.86  3.000
 NVE  H4   C2   N3   111.73  3.000
 NVE  H5   C2   C1   109.11  3.000
 NVE  H4   C2   C1   110.79  3.000
 NVE  N3   C2   C1   111.24  3.000
 NVE  C15  N3   C4   114.71  3.000
 NVE  C4   N3   C2   117.35  3.000
 NVE  C15  N3   C2   118.25  3.000
 NVE  N19  C4   C5   122.35  3.000
 NVE  C5   C4   N3   119.87  3.000
 NVE  N19  C4   N3   117.78  3.000
 NVE  C16  C5   N6   120.40  3.000
 NVE  C16  C5   C4   117.74  3.000
 NVE  N6   C5   C4   121.70  3.000
 NVE  C8   N6   C7   117.65  3.000
 NVE  C7   N6   C5   117.63  3.000
 NVE  C8   N6   C5   123.56  3.000
 NVE  H8   C7   H7   108.32  3.000
 NVE  H8   C7   H6   108.94  3.000
 NVE  H7   C7   H6   108.49  3.000
 NVE  H8   C7   N6   108.82  3.000
 NVE  H7   C7   N6   109.98  3.000
 NVE  H6   C7   N6   112.21  3.000
 NVE  C10  C8   O9   119.53  3.000
 NVE  O9   C8   N6   121.13  3.000
 NVE  C10  C8   N6   119.33  3.000
 NVE  C15  C10  C11  117.62  3.000
 NVE  C11  C10  C8   117.35  3.000
 NVE  C15  C10  C8   124.14  3.000
 NVE  H9   C11  C12  119.74  3.000
 NVE  H9   C11  C10  119.25  3.000
 NVE  C12  C11  C10  120.99  3.000
 NVE  C33  C12  C13  121.95  3.000
 NVE  C13  C12  C11  115.97  3.000
 NVE  C33  C12  C11  122.07  3.000
 NVE  H10  C13  N14  115.90  3.000
 NVE  H10  C13  C12  119.94  3.000
 NVE  N14  C13  C12  124.16  3.000
 NVE  C15  N14  C13  119.38  3.000
 NVE  N14  C15  C10  121.70  3.000
 NVE  C10  C15  N3   120.92  3.000
 NVE  N14  C15  N3   117.38  3.000
 NVE  H11  C16  C17  120.13  3.000
 NVE  H11  C16  C5   120.25  3.000
 NVE  C17  C16  C5   119.60  3.000
 NVE  H12  C17  C18  120.87  3.000
 NVE  H12  C17  C16  121.11  3.000
 NVE  C18  C17  C16  118.02  3.000
 NVE  H13  C18  N19  116.51  3.000
 NVE  H13  C18  C17  120.74  3.000
 NVE  N19  C18  C17  122.74  3.000
 NVE  C18  N19  C4   119.45  3.000
 NVE  H16  C20  H15  108.02  3.000
 NVE  H16  C20  H14  107.78  3.000
 NVE  H15  C20  H14  108.85  3.000
 NVE  H16  C20  C21  109.11  3.000
 NVE  H15  C20  C21  111.31  3.000
 NVE  H14  C20  C21  111.65  3.000
 NVE  H18  C21  H17  107.84  3.000
 NVE  H18  C21  O22  110.45  3.000
 NVE  H17  C21  O22  109.02  3.000
 NVE  H18  C21  C20  110.23  3.000
 NVE  H17  C21  C20  110.85  3.000
 NVE  O22  C21  C20  108.45  3.000
 NVE  P23  O22  C21  122.43  3.000
 NVE  O37  P23  O34  116.73  3.000
 NVE  O37  P23  C24  115.16  3.000
 NVE  O34  P23  C24  100.16  3.000
 NVE  O37  P23  O22  114.14  3.000
 NVE  C24  P23  O22  104.93  3.000
 NVE  O34  P23  O22  103.97  3.000
 NVE  H20  C24  H19  107.19  3.000
 NVE  H20  C24  O25  107.14  3.000
 NVE  H19  C24  O25  113.82  3.000
 NVE  H20  C24  P23  108.67  3.000
 NVE  H19  C24  P23  111.30  3.000
 NVE  O25  C24  P23  108.53  3.000
 NVE  C31  C26  C27  119.45  3.000
 NVE  C31  C26  O25  115.97  3.000
 NVE  C27  C26  O25  124.54  3.000
 NVE  H21  C27  C28  118.54  3.000
 NVE  H21  C27  C26  121.90  3.000
 NVE  C28  C27  C26  119.56  3.000
 NVE  H22  C28  C29  119.54  3.000
 NVE  H22  C28  C27  118.57  3.000
 NVE  C29  C28  C27  121.89  3.000
 NVE  C32  C29  C30  121.13  3.000
 NVE  C30  C29  C28  117.63  3.000
 NVE  C32  C29  C28  121.21  3.000
 NVE  H23  C30  C31  118.94  3.000
 NVE  H23  C30  C29  119.71  3.000
 NVE  C31  C30  C29  121.35  3.000
 NVE  H24  C31  C30  120.34  3.000
 NVE  H24  C31  C26  119.53  3.000
 NVE  C30  C31  C26  120.12  3.000
 NVE  H26  C32  H25  106.62  3.000
 NVE  H26  C32  C33  109.00  3.000
 NVE  H25  C32  C33  108.95  3.000
 NVE  H26  C32  C29  110.00  3.000
 NVE  H25  C32  C29  110.25  3.000
 NVE  C33  C32  C29  111.88  3.000
 NVE  H28  C33  H27  106.66  3.000
 NVE  H28  C33  C32  109.14  3.000
 NVE  H27  C33  C32  109.18  3.000
 NVE  H28  C33  C12  109.80  3.000
 NVE  H27  C33  C12  110.04  3.000
 NVE  C32  C33  C12  111.88  3.000
 NVE  C35  O34  P23  120.85  3.000
 NVE  H30  C35  H29  108.11  3.000
 NVE  H30  C35  C36  110.68  3.000
 NVE  H29  C35  C36  110.67  3.000
 NVE  H30  C35  O34  109.68  3.000
 NVE  H29  C35  O34  109.19  3.000
 NVE  C36  C35  O34  108.50  3.000
 NVE  H33  C36  H32  107.90  3.000
 NVE  H33  C36  H31  107.95  3.000
 NVE  H32  C36  H31  108.79  3.000
 NVE  H33  C36  C35  109.13  3.000
 NVE  H32  C36  C35  111.49  3.000
 NVE  H31  C36  C35  111.45  3.000
 NVE  C26  O25  C24  120.17  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
 NVE  CONST_01  C17  C18  N19  C4      0.00   0.0  0
 NVE  CONST_02  C17  C16  C5   C4      0.00   0.0  0
 NVE  CONST_03  C18  N19  C4   C5      0.00   0.0  0
 NVE  CONST_04  C18  C17  C16  C5      0.00   0.0  0
 NVE  CONST_05  C13  N14  C15  C10     0.00   0.0  0
 NVE  CONST_06  C13  C12  C11  C10     0.00   0.0  0
 NVE  CONST_07  N14  C13  C12  C11     0.00   0.0  0
 NVE  CONST_08  N14  C15  C10  C11     0.00   0.0  0
 NVE  CONST_09  C15  N14  C13  C12     0.00   0.0  0
 NVE  CONST_10  C15  C10  C11  C12     0.00   0.0  0
 NVE  CONST_11  N19  C4   C5   C16     0.00   0.0  0
 NVE  CONST_12  N19  C18  C17  C16     0.00   0.0  0
 NVE  CONST_13  C29  C28  C27  C26     0.00   0.0  0
 NVE  CONST_14  C29  C30  C31  C26     0.00   0.0  0
 NVE  CONST_15  C30  C29  C28  C27     0.00   0.0  0
 NVE  CONST_16  C30  C31  C26  C27     0.00   0.0  0
 NVE  CONST_17  C31  C26  C27  C28     0.00   0.0  0
 NVE  CONST_18  C31  C30  C29  C28     0.00   0.0  0
 NVE  CONST_20  C33  C12  C11  C10   180.00   0.0  0
 NVE  CONST_21  C33  C12  C13  N14   180.00   0.0  0
 NVE  CONST_22  C28  C27  C26  O25   180.00   0.0  0
 NVE  CONST_23  C30  C31  C26  O25   180.00   0.0  0
 NVE  CONST_24  C32  C29  C28  C27   180.00   0.0  0
 NVE  CONST_25  C32  C29  C30  C31   180.00   0.0  0
 NVE  CONST_27  C10  C8   N6   C7    180.00   0.0  0
 NVE  CONST_28  H13  C18  N19  C4    180.00   0.0  0
 NVE  CONST_29  H11  C16  C5   C4    180.00   0.0  0
 NVE  CONST_30  H12  C17  C16  C5    180.00   0.0  0
 NVE  CONST_31  H9   C11  C10  C8      0.00   0.0  0
 NVE  CONST_32  H10  C13  C12  C11   180.00   0.0  0
 NVE  CONST_33  H22  C28  C27  C26   180.00   0.0  0
 NVE  CONST_34  H23  C30  C31  C26   180.00   0.0  0
 NVE  CONST_35  H24  C31  C26  C27   180.00   0.0  0
 NVE  CONST_36  H21  C27  C28  C29   180.00   0.0  0
 NVE  CONST_37  O9   C8   N6   C7      0.00   0.0  0
 NVE  Var_01    N14  C15  N3   C4    125.08  30.0  1
 NVE  Var_02    C8   N6   C5   C4    -56.84  30.0  1
 NVE  Var_03    C15  N3   C4   C5     62.58  30.0  1
 NVE  Var_04    C15  C10  C8   N6     38.96  30.0  1
 NVE  Var_05    C32  C33  C12  C11    88.18  30.0  2
 NVE  Var_06    C29  C32  C33  C12  -177.55  30.0  3
 NVE  Var_07    C27  C26  O25  C24    28.04  30.0  2
 NVE  Var_08    C33  C32  C29  C28    96.11  30.0  2
 NVE  Var_09    H6   C7   N6   C5     91.30  30.0  3
 NVE  Var_10    H1   C1   C2   N3    -64.55  30.0  3
 NVE  Var_11    H19  C24  O25  C26   -37.35  30.0  3
 NVE  Var_12    O34  P23  O22  C21  -141.01  30.0  3
 NVE  Var_13    O25  C24  P23  O22   -63.86  30.0  3
 NVE  Var_14    C36  C35  O34  P23   170.59  30.0  1
 NVE  Var_15    H14  C20  C21  O22   -59.42  30.0  3
 NVE  Var_16    H17  C21  O22  P23    76.66  30.0  2
 NVE  Var_17    H31  C36  C35  O34   -61.14  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
 NVE  plan-1  C26  0.020
 NVE  plan-1  C27  0.020
 NVE  plan-1  C28  0.020
 NVE  plan-1  C29  0.020
 NVE  plan-1  C30  0.020
 NVE  plan-1  C31  0.020
 NVE  plan-1  C32  0.020
 NVE  plan-1  H21  0.020
 NVE  plan-1  H22  0.020
 NVE  plan-1  H23  0.020
 NVE  plan-1  H24  0.020
 NVE  plan-1  O25  0.020
 NVE  plan-2  N3   0.020
 NVE  plan-2  C8   0.020
 NVE  plan-2  C10  0.020
 NVE  plan-2  C11  0.020
 NVE  plan-2  C12  0.020
 NVE  plan-2  C13  0.020
 NVE  plan-2  N14  0.020
 NVE  plan-2  C15  0.020
 NVE  plan-2  C33  0.020
 NVE  plan-2  H9   0.020
 NVE  plan-2  H10  0.020
 NVE  plan-3  N3   0.020
 NVE  plan-3  C4   0.020
 NVE  plan-3  C5   0.020
 NVE  plan-3  N6   0.020
 NVE  plan-3  C16  0.020
 NVE  plan-3  C17  0.020
 NVE  plan-3  C18  0.020
 NVE  plan-3  N19  0.020
 NVE  plan-3  H11  0.020
 NVE  plan-3  H12  0.020
 NVE  plan-3  H13  0.020
 NVE  plan-4  C5   0.020
 NVE  plan-4  N6   0.020
 NVE  plan-4  C7   0.020
 NVE  plan-4  C8   0.020
 NVE  plan-4  O9   0.020
 NVE  plan-4  C10  0.020

