# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Apr 29 19:56:20 2020
#   Inital geometry file: a 158 line input string
#   Ligand name: (4R,5R,6S)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-N-(2H-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COCc1noc(CNC(=O)c2cc(ccc2F)[C@@H]3NC(=O)N[C@@H](C)[C@H]3C(=O)Nc4ccc5n[nH]cc5c4)n1
#
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
 EJS  EJS  (4R,5R,6S)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-N-(2H-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide  ligand  64  39  .  2021-08-08  2021-08-08  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_EJS
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
 EJS  O01  O  O     0  -0.300  -3.6948  -1.2516   0.8147
 EJS  C02  C  C     0   0.523  -2.7692  -0.8929   0.1122
 EJS  C03  C  CH1   0  -0.403  -1.6886  -1.8459  -0.3645
 EJS  C04  C  CH1   0  -0.124  -2.1895  -2.7761  -1.4757
 EJS  C05  C  CH3   0  -0.690  -2.8125  -2.0394  -2.6491
 EJS  N06  N  NH1   0  -0.598  -3.1406  -3.7058  -0.9163
 EJS  C07  C  C     0   0.585  -3.0728  -4.2194   0.3324
 EJS  N08  N  NH1   0  -0.531  -2.0390  -3.7808   1.1004
 EJS  C09  C  CH1   0  -0.218  -1.1467  -2.6919   0.8031
 EJS  C10  C  CR6   0   0.335   0.2628  -3.1589   0.4945
 EJS  C11  C  CR16  0  -0.305   1.3178  -2.2717   0.6687
 EJS  C12  C  CR6   0  -0.258   2.6240  -2.6101   0.3328
 EJS  C13  C  C     0   0.587   3.7145  -1.5988   0.4511
 EJS  N14  N  NH1   0  -0.749   3.7409  -0.9433   1.6228
 EJS  C15  C  CH2   0  -0.297   4.5491   0.2272   1.8198
 EJS  C16  C  CR5   0   0.353   4.0792   1.3870   1.0034
 EJS  N17  N  N     0  -0.386   4.6965   2.4883   0.7476
 EJS  C18  C  CR5   0   0.292   3.7749   3.1814   0.0170
 EJS  C19  C  CH2   0  -0.282   4.0152   4.5563  -0.5115
 EJS  O20  O  O2    0  -0.499   5.2094   4.5343  -1.2414
 EJS  C21  C  CH3   0  -0.376   5.5582   5.8084  -1.7267
 EJS  N22  N  N     0  -0.175   2.6658   2.5363  -0.1691
 EJS  O23  O  O     0  -0.214   2.8583   1.3526   0.4911
 EJS  O24  O  O     0  -0.357   4.4939  -1.3621  -0.4582
 EJS  C25  C  CR6   0   0.410   2.8505  -3.8784  -0.1812
 EJS  F26  F  F     0  -0.156   4.1010  -4.2491  -0.4982
 EJS  C27  C  CR16  0  -0.395   1.8321  -4.7925  -0.3394
 EJS  C28  C  CR16  0  -0.389   0.5364  -4.4263   0.0005
 EJS  O29  O  O     0  -0.660  -3.8789  -5.0449   0.7492
 EJS  N30  N  NH1   0  -0.756  -2.6070   0.3847  -0.3124
 EJS  C31  C  CR6   0   0.450  -3.4432   1.4693   0.0240
 EJS  C32  C  CR16  0  -0.445  -2.8704   2.6584   0.3862
 EJS  C33  C  CR56  0  -0.054  -3.7207   3.7485   0.6656
 EJS  C34  C  CR15  0  -0.046  -3.5345   5.0739   1.0453
 EJS  N35  N  NR15  0  -0.428  -4.7637   5.5860   1.1549
 EJS  N36  N  N     0  -0.349  -5.7543   4.7493   0.8939
 EJS  C37  C  CR56  0   0.238  -5.1340   3.6069   0.5900
 EJS  C38  C  CR16  0  -0.314  -5.7006   2.3697   0.2074
 EJS  C39  C  CR16  0  -0.289  -4.8615   1.3330  -0.0757
 EJS  H1   H  HCH1  0   0.305  -0.8553  -1.2790  -0.7842
 EJS  H2   H  HCH1  0   0.267  -1.3086  -3.3120  -1.8523
 EJS  H3   H  HCH3  0   0.233  -2.1006  -1.3409  -3.0868
 EJS  H4   H  HCH3  0   0.273  -3.0970  -2.7482  -3.4279
 EJS  H5   H  HCH3  0   0.269  -3.7066  -1.4881  -2.3576
 EJS  H6   H  HNH1  0   0.374  -3.8686  -4.0696  -1.5096
 EJS  H7   H  HNH1  0   0.411  -2.0334  -4.1266   2.0462
 EJS  H8   H  HCH1  0   0.301  -1.0921  -2.0541   1.6904
 EJS  H9   H  HCR6  0   0.246   1.1121  -1.2766   1.0478
 EJS  H10  H  HNH1  0   0.419   3.0797  -1.1835   2.3434
 EJS  H11  H  HCH2  0   0.291   4.4976   0.5004   2.8744
 EJS  H12  H  HCH2  0   0.274   5.5993   0.0444   1.5906
 EJS  H13  H  HCH2  0   0.302   3.1587   4.8684  -1.1214
 EJS  H14  H  HCH2  0   0.247   4.0759   5.2482   0.3402
 EJS  H15  H  HCH3  0   0.126   5.6862   6.5343  -0.9159
 EJS  H16  H  HCH3  0   0.225   6.5043   5.7136  -2.2572
 EJS  H17  H  HCH3  0   0.262   4.8072   6.2040  -2.4197
 EJS  H18  H  HCR6  0   0.274   2.0461  -5.7843  -0.7161
 EJS  H19  H  HCR6  0   0.277  -0.2610  -5.1473  -0.1217
 EJS  H20  H  HNH1  0   0.374  -1.7439   0.6170  -0.7783
 EJS  H21  H  HCR6  0   0.253  -1.7937   2.7592   0.4532
 EJS  H22  H  HCR5  0   0.303  -2.6504   5.6603   1.2317
 EJS  H23  H  HNR5  0   0.419  -4.9834   6.5374   1.4104
 EJS  H24  H  HCR6  0   0.259  -6.7732   2.2528   0.1231
 EJS  H25  H  HCR6  0   0.280  -5.2779   0.3914  -0.4018

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
 EJS  C27  C28  aromatic  1.389  0.020  1.389
 EJS  C27  C25  aromatic  1.378  0.020  1.378
 EJS  F26  C25  single    1.342  0.020  1.342
 EJS  C28  C10  aromatic  1.388  0.020  1.388
 EJS  C25  C12  aromatic  1.387  0.020  1.387
 EJS  C34  N35  aromatic  1.336  0.020  1.336
 EJS  C34  C33  aromatic  1.391  0.020  1.391
 EJS  N35  N36  aromatic  1.323  0.020  1.323
 EJS  O01  C02  double    1.216  0.020  1.216
 EJS  C10  C09  single    1.517  0.020  1.517
 EJS  C10  C11  aromatic  1.389  0.020  1.389
 EJS  C12  C11  aromatic  1.391  0.020  1.391
 EJS  C12  C13  single    1.492  0.020  1.492
 EJS  C33  C32  aromatic  1.410  0.020  1.410
 EJS  C33  C37  aromatic  1.422  0.020  1.422
 EJS  O24  C13  double    1.221  0.020  1.221
 EJS  C09  N08  single    1.439  0.020  1.439
 EJS  C09  C03  single    1.540  0.020  1.540
 EJS  N36  C37  aromatic  1.335  0.020  1.335
 EJS  C32  C31  aromatic  1.369  0.020  1.369
 EJS  C02  C03  single    1.518  0.020  1.518
 EJS  C02  N30  single    1.356  0.020  1.356
 EJS  C37  C38  aromatic  1.414  0.020  1.414
 EJS  C13  N14  single    1.343  0.020  1.343
 EJS  N08  C07  single    1.360  0.020  1.360
 EJS  C03  C04  single    1.533  0.020  1.533
 EJS  C31  N30  single    1.410  0.020  1.410
 EJS  C31  C39  aromatic  1.428  0.020  1.428
 EJS  C38  C39  aromatic  1.363  0.020  1.363
 EJS  N14  C15  single    1.436  0.020  1.436
 EJS  C07  O29  double    1.227  0.020  1.227
 EJS  C07  N06  single    1.352  0.020  1.352
 EJS  C21  O20  single    1.407  0.020  1.407
 EJS  C04  N06  single    1.443  0.020  1.443
 EJS  C04  C05  single    1.519  0.020  1.519
 EJS  C15  C16  single    1.494  0.020  1.494
 EJS  N17  C16  aromatic  1.288  0.020  1.288
 EJS  N17  C18  aromatic  1.365  0.020  1.365
 EJS  O20  C19  single    1.400  0.020  1.400
 EJS  C16  O23  aromatic  1.324  0.020  1.324
 EJS  C19  C18  single    1.492  0.020  1.492
 EJS  C18  N22  aromatic  1.297  0.020  1.297
 EJS  O23  N22  aromatic  1.369  0.020  1.369
 EJS  C03  H1   single    0.970  0.020  1.090
 EJS  C04  H2   single    0.970  0.020  1.090
 EJS  C05  H3   single    0.970  0.020  1.090
 EJS  C05  H4   single    0.970  0.020  1.090
 EJS  C05  H5   single    0.970  0.020  1.090
 EJS  N06  H6   single    0.860  0.020  1.020
 EJS  N08  H7   single    0.860  0.020  1.020
 EJS  C09  H8   single    0.970  0.020  1.090
 EJS  C11  H9   single    0.930  0.020  1.080
 EJS  N14  H10  single    0.860  0.020  1.020
 EJS  C15  H11  single    0.970  0.020  1.090
 EJS  C15  H12  single    0.970  0.020  1.090
 EJS  C19  H13  single    0.970  0.020  1.090
 EJS  C19  H14  single    0.970  0.020  1.090
 EJS  C21  H15  single    0.970  0.020  1.090
 EJS  C21  H16  single    0.970  0.020  1.090
 EJS  C21  H17  single    0.970  0.020  1.090
 EJS  C27  H18  single    0.930  0.020  1.080
 EJS  C28  H19  single    0.930  0.020  1.080
 EJS  N30  H20  single    0.860  0.020  1.020
 EJS  C32  H21  single    0.930  0.020  1.080
 EJS  C34  H22  single    0.930  0.020  1.080
 EJS  N35  H23  single    0.860  0.020  1.020
 EJS  C38  H24  single    0.930  0.020  1.080
 EJS  C39  H25  single    0.930  0.020  1.080

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
 EJS  N30  C02  C03  114.08  3.000
 EJS  N30  C02  O01  123.35  3.000
 EJS  C03  C02  O01  122.56  3.000
 EJS  H1   C03  C09  107.94  3.000
 EJS  H1   C03  C04  106.60  3.000
 EJS  C09  C03  C04  109.33  3.000
 EJS  H1   C03  C02  109.77  3.000
 EJS  C04  C03  C02  112.09  3.000
 EJS  C09  C03  C02  110.93  3.000
 EJS  H2   C04  N06  110.33  3.000
 EJS  H2   C04  C05  107.51  3.000
 EJS  N06  C04  C05  109.98  3.000
 EJS  H2   C04  C03  106.42  3.000
 EJS  C05  C04  C03  113.55  3.000
 EJS  N06  C04  C03  108.98  3.000
 EJS  H5   C05  H4   107.79  3.000
 EJS  H5   C05  H3   108.62  3.000
 EJS  H4   C05  H3   107.48  3.000
 EJS  H5   C05  C04  112.03  3.000
 EJS  H4   C05  C04  110.08  3.000
 EJS  H3   C05  C04  110.69  3.000
 EJS  H6   N06  C07  116.31  3.000
 EJS  H6   N06  C04  118.73  3.000
 EJS  C07  N06  C04  124.74  3.000
 EJS  O29  C07  N08  121.63  3.000
 EJS  O29  C07  N06  122.45  3.000
 EJS  N08  C07  N06  115.92  3.000
 EJS  H7   N08  C09  116.77  3.000
 EJS  H7   N08  C07  115.07  3.000
 EJS  C09  N08  C07  126.76  3.000
 EJS  H8   C09  C10  107.35  3.000
 EJS  H8   C09  N08  107.73  3.000
 EJS  C10  C09  N08  112.67  3.000
 EJS  H8   C09  C03  108.19  3.000
 EJS  N08  C09  C03  110.74  3.000
 EJS  C10  C09  C03  109.99  3.000
 EJS  C28  C10  C11  118.57  3.000
 EJS  C11  C10  C09  118.92  3.000
 EJS  C28  C10  C09  122.48  3.000
 EJS  H9   C11  C12  119.07  3.000
 EJS  H9   C11  C10  119.06  3.000
 EJS  C12  C11  C10  121.84  3.000
 EJS  C25  C12  C13  121.99  3.000
 EJS  C13  C12  C11  120.16  3.000
 EJS  C25  C12  C11  117.74  3.000
 EJS  O24  C13  N14  122.87  3.000
 EJS  N14  C13  C12  114.49  3.000
 EJS  O24  C13  C12  122.61  3.000
 EJS  H10  N14  C15  117.77  3.000
 EJS  H10  N14  C13  119.67  3.000
 EJS  C15  N14  C13  121.92  3.000
 EJS  H12  C15  H11  106.90  3.000
 EJS  H12  C15  C16  108.55  3.000
 EJS  H11  C15  C16  108.60  3.000
 EJS  H12  C15  N14  112.12  3.000
 EJS  H11  C15  N14  108.08  3.000
 EJS  C16  C15  N14  112.38  3.000
 EJS  O23  C16  N17  112.78  3.000
 EJS  O23  C16  C15  118.75  3.000
 EJS  N17  C16  C15  128.42  3.000
 EJS  C18  N17  C16  102.53  3.000
 EJS  N22  C18  C19  123.05  3.000
 EJS  N22  C18  N17  113.68  3.000
 EJS  C19  C18  N17  123.27  3.000
 EJS  H14  C19  H13  107.15  3.000
 EJS  H14  C19  O20  111.52  3.000
 EJS  H13  C19  O20  112.38  3.000
 EJS  H14  C19  C18  108.33  3.000
 EJS  H13  C19  C18  109.47  3.000
 EJS  O20  C19  C18  107.91  3.000
 EJS  C21  O20  C19  112.15  3.000
 EJS  H17  C21  H16  108.60  3.000
 EJS  H17  C21  H15  107.99  3.000
 EJS  H16  C21  H15  108.46  3.000
 EJS  H17  C21  O20  112.03  3.000
 EJS  H16  C21  O20  107.73  3.000
 EJS  H15  C21  O20  111.93  3.000
 EJS  O23  N22  C18  103.93  3.000
 EJS  N22  O23  C16  107.08  3.000
 EJS  C27  C25  F26  118.58  3.000
 EJS  F26  C25  C12  119.48  3.000
 EJS  C27  C25  C12  121.91  3.000
 EJS  H18  C27  C28  120.75  3.000
 EJS  H18  C27  C25  120.12  3.000
 EJS  C28  C27  C25  119.12  3.000
 EJS  H19  C28  C27  118.96  3.000
 EJS  H19  C28  C10  120.24  3.000
 EJS  C27  C28  C10  120.80  3.000
 EJS  H20  N30  C31  116.15  3.000
 EJS  H20  N30  C02  117.67  3.000
 EJS  C31  N30  C02  125.38  3.000
 EJS  C39  C31  C32  121.13  3.000
 EJS  C39  C31  N30  119.91  3.000
 EJS  C32  C31  N30  118.90  3.000
 EJS  H21  C32  C33  121.00  3.000
 EJS  H21  C32  C31  120.87  3.000
 EJS  C33  C32  C31  118.13  3.000
 EJS  C37  C33  C34  104.02  3.000
 EJS  C37  C33  C32  120.77  3.000
 EJS  C34  C33  C32  135.20  3.000
 EJS  H22  C34  N35  122.16  3.000
 EJS  H22  C34  C33  132.51  3.000
 EJS  N35  C34  C33  105.33  3.000
 EJS  H23  N35  N36  118.90  3.000
 EJS  H23  N35  C34  125.61  3.000
 EJS  N36  N35  C34  115.49  3.000
 EJS  C37  N36  N35  103.78  3.000
 EJS  C38  C37  N36  128.64  3.000
 EJS  C38  C37  C33  119.98  3.000
 EJS  N36  C37  C33  111.37  3.000
 EJS  H24  C38  C39  120.78  3.000
 EJS  H24  C38  C37  120.85  3.000
 EJS  C39  C38  C37  118.36  3.000
 EJS  H25  C39  C38  119.23  3.000
 EJS  H25  C39  C31  119.16  3.000
 EJS  C38  C39  C31  121.61  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
 EJS  CONST_01  C25  C27  C28  C10     0.00   0.0  0
 EJS  CONST_02  C25  C12  C11  C10     0.00   0.0  0
 EJS  CONST_03  C27  C28  C10  C11     0.00   0.0  0
 EJS  CONST_04  C27  C25  C12  C11     0.00   0.0  0
 EJS  CONST_05  C28  C27  C25  C12     0.00   0.0  0
 EJS  CONST_06  C28  C10  C11  C12     0.00   0.0  0
 EJS  CONST_07  N22  C18  N17  C16     0.00   0.0  0
 EJS  CONST_08  C18  N22  O23  C16     0.00   0.0  0
 EJS  CONST_09  N22  O23  C16  N17     0.00   0.0  0
 EJS  CONST_10  O23  N22  C18  N17     0.00   0.0  0
 EJS  CONST_11  O23  C16  N17  C18     0.00   0.0  0
 EJS  CONST_12  C34  C33  C32  C31   180.00   0.0  0
 EJS  CONST_13  C37  C33  C32  C31     0.00   0.0  0
 EJS  CONST_14  C37  C38  C39  C31     0.00   0.0  0
 EJS  CONST_15  N35  C34  C33  C32   180.00   0.0  0
 EJS  CONST_16  N36  C37  C33  C32   180.00   0.0  0
 EJS  CONST_17  C38  C37  C33  C32     0.00   0.0  0
 EJS  CONST_18  C38  C39  C31  C32     0.00   0.0  0
 EJS  CONST_19  N36  N35  C34  C33     0.00   0.0  0
 EJS  CONST_20  C39  C31  C32  C33     0.00   0.0  0
 EJS  CONST_21  N35  N36  C37  C33     0.00   0.0  0
 EJS  CONST_22  C39  C38  C37  C33     0.00   0.0  0
 EJS  CONST_23  C37  N36  N35  C34     0.00   0.0  0
 EJS  CONST_24  N36  C37  C33  C34     0.00   0.0  0
 EJS  CONST_25  C38  C37  C33  C34   180.00   0.0  0
 EJS  CONST_26  C37  C33  C34  N35     0.00   0.0  0
 EJS  CONST_27  C38  C37  N36  N35   180.00   0.0  0
 EJS  CONST_28  C39  C38  C37  N36   180.00   0.0  0
 EJS  CONST_29  C27  C28  C10  C09   180.00   0.0  0
 EJS  CONST_30  C12  C11  C10  C09   180.00   0.0  0
 EJS  CONST_31  N08  C07  N06  C04     0.00   0.0  0
 EJS  CONST_32  C09  N08  C07  N06     0.00   0.0  0
 EJS  CONST_33  C13  C12  C11  C10   180.00   0.0  0
 EJS  CONST_34  F26  C25  C12  C11   180.00   0.0  0
 EJS  CONST_35  C27  C25  C12  C13   180.00   0.0  0
 EJS  CONST_36  C18  N17  C16  C15   180.00   0.0  0
 EJS  CONST_37  N22  O23  C16  C15   180.00   0.0  0
 EJS  CONST_38  C19  C18  N17  C16   180.00   0.0  0
 EJS  CONST_39  O23  N22  C18  C19   180.00   0.0  0
 EJS  CONST_40  C28  C27  C25  F26   180.00   0.0  0
 EJS  CONST_41  C33  C32  C31  N30   180.00   0.0  0
 EJS  CONST_42  C38  C39  C31  N30   180.00   0.0  0
 EJS  CONST_43  O29  C07  N06  C04   180.00   0.0  0
 EJS  CONST_44  O29  C07  N08  C09   180.00   0.0  0
 EJS  CONST_45  H19  C28  C10  C09     0.00   0.0  0
 EJS  CONST_46  H9   C11  C10  C09     0.00   0.0  0
 EJS  CONST_47  H18  C27  C28  C10   180.00   0.0  0
 EJS  CONST_48  H24  C38  C39  C31   180.00   0.0  0
 EJS  CONST_49  H22  C34  C33  C32     0.00   0.0  0
 EJS  CONST_50  H25  C39  C31  C32   180.00   0.0  0
 EJS  CONST_51  H23  N35  C34  C33   180.00   0.0  0
 EJS  CONST_52  H21  C32  C33  C34     0.00   0.0  0
 EJS  CONST_53  H7   N08  C07  N06   180.00   0.0  0
 EJS  CONST_54  H6   N06  C07  N08   180.00   0.0  0
 EJS  CONST_55  C31  N30  C02  C03   180.00   0.0  0
 EJS  CONST_59  C31  N30  C02  O01     0.00   0.0  0
 EJS  CONST_60  C15  N14  C13  C12   180.00   0.0  0
 EJS  CONST_61  H10  N14  C13  C12     0.00   0.0  0
 EJS  CONST_62  O24  C13  N14  C15     0.00   0.0  0
 EJS  Var_01    O24  C13  C12  C11  -129.34  30.0  2
 EJS  Var_02    N17  C16  C15  N14  -165.94  30.0  2
 EJS  Var_03    O20  C19  C18  N17    53.47  30.0  1
 EJS  Var_04    C16  C15  N14  C13    67.10  30.0  3
 EJS  Var_05    H15  C21  O20  C19    59.39  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
 EJS  chir_01  C03  C09  C02  C04  positiv
 EJS  chir_02  C04  N06  C03  C05  positiv
 EJS  chir_03  C09  N08  C03  C10  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
 EJS  plan-1  C15  0.020
 EJS  plan-1  C16  0.020
 EJS  plan-1  N17  0.020
 EJS  plan-1  C18  0.020
 EJS  plan-1  C19  0.020
 EJS  plan-1  N22  0.020
 EJS  plan-1  O23  0.020
 EJS  plan-2  C09  0.020
 EJS  plan-2  C10  0.020
 EJS  plan-2  C11  0.020
 EJS  plan-2  C12  0.020
 EJS  plan-2  C13  0.020
 EJS  plan-2  C25  0.020
 EJS  plan-2  F26  0.020
 EJS  plan-2  C27  0.020
 EJS  plan-2  C28  0.020
 EJS  plan-2  H9   0.020
 EJS  plan-2  H18  0.020
 EJS  plan-2  H19  0.020
 EJS  plan-3  N30  0.020
 EJS  plan-3  C31  0.020
 EJS  plan-3  C32  0.020
 EJS  plan-3  C33  0.020
 EJS  plan-3  C34  0.020
 EJS  plan-3  N35  0.020
 EJS  plan-3  N36  0.020
 EJS  plan-3  C37  0.020
 EJS  plan-3  C38  0.020
 EJS  plan-3  C39  0.020
 EJS  plan-3  H21  0.020
 EJS  plan-3  H22  0.020
 EJS  plan-3  H23  0.020
 EJS  plan-3  H24  0.020
 EJS  plan-3  H25  0.020
 EJS  plan-4  C12  0.020
 EJS  plan-4  C13  0.020
 EJS  plan-4  N14  0.020
 EJS  plan-4  C15  0.020
 EJS  plan-4  O24  0.020
 EJS  plan-4  H10  0.020
 EJS  plan-5  O01  0.020
 EJS  plan-5  C02  0.020
 EJS  plan-5  C03  0.020
 EJS  plan-5  N30  0.020
 EJS  plan-5  C31  0.020
 EJS  plan-5  H20  0.020
 EJS  plan-6  C04  0.020
 EJS  plan-6  N06  0.020
 EJS  plan-6  C07  0.020
 EJS  plan-6  N08  0.020
 EJS  plan-6  C09  0.020
 EJS  plan-6  O29  0.020
 EJS  plan-6  H6   0.020
 EJS  plan-6  H7   0.020

