# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Jul 21 09:26:57 2021
#   Inital geometry file: a 157 line input string
#   Ligand name: 9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCn1c2ccc(OC(C)C)cc2c3cc(ccc13)C(=O)NCc4ccc(cc4)[S](=O)(=O)CC
#
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
 ENR  ENR  9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide  ligand  64  34  .  2022-03-18  2022-07-24
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_ENR
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
 ENR  C10   C  CH2   0  -0.313   -1.0471  26.7303  11.1823
 ENR  C13   C  CR16  0  -0.199    1.9430  24.7054  12.3174
 ENR  C17   C  CH3   0  -0.654    1.4582  22.8140  16.1039
 ENR  C20   C  CR16  0  -0.203    1.0542  25.8719  14.2359
 ENR  C21   C  CR16  0  -0.257    0.0558  26.4080  13.4389
 ENR  C24   C  CR16  0  -0.288   -5.4935  28.4101  14.2879
 ENR  C26   C  CR16  0  -0.479   -8.6186  24.7046  13.2759
 ENR  C01   C  CH3   0  -0.639   -7.9572  28.7557  17.0692
 ENR  C02   C  CH2   0  -0.318   -8.2355  29.0083  15.5964
 ENR  C04   C  CR56  0   0.370   -6.6530  27.6399  14.2285
 ENR  C05   C  CR56  0   0.092   -6.6692  26.3989  13.5525
 ENR  C06   C  CR16  0  -0.383   -5.5251  25.9378  12.9229
 ENR  C07   C  CR6   0  -0.044   -4.3723  26.7142  12.9458
 ENR  C08   C  C     0   0.549   -3.1639  26.1941  12.2566
 ENR  C11   C  CR6   0   0.120   -0.0134  26.1034  12.0843
 ENR  C12   C  CR16  0  -0.265    0.9361  25.2450  11.5371
 ENR  C14   C  CR6   0  -0.215    1.9917  25.0206  13.6688
 ENR  C16   C  CH2   0  -0.573    2.6483  22.7275  15.1710
 ENR  C23   C  CR16  0  -0.282   -4.3710  27.9363  13.6392
 ENR  C25   C  CR56  0   0.106   -7.9989  25.8684  13.7095
 ENR  C27   C  CR6   0   0.410   -9.9484  24.4770  13.6121
 ENR  C29   C  CH1   0   0.006  -11.8645  23.0365  13.3168
 ENR  C30   C  CH3   0  -0.641  -12.0263  21.5451  13.1015
 ENR  C31   C  CH3   0  -0.660  -12.6840  23.8457  12.3244
 ENR  C32   C  CR16  0  -0.373  -10.6454  25.4257  14.3762
 ENR  C33   C  CR16  0  -0.285  -10.0361  26.5936  14.8093
 ENR  C34   C  CR56  0   0.342   -8.7105  26.8136  14.4699
 ENR  N03   N  NR5   0  -0.626   -7.8867  27.8855  14.7568
 ENR  N09   N  NH1   0  -0.656   -2.2605  27.1131  11.8538
 ENR  O18   O  OS    0  -0.664    4.4465  24.1030  13.8214
 ENR  O19   O  OS    0  -0.663    3.4242  25.1613  15.8660
 ENR  O22   O  O     0  -0.489   -2.9892  24.9994  12.0600
 ENR  O28   O  O2    0  -0.486  -10.4720  23.3072  13.1816
 ENR  S15   S  S     0   1.218    3.2793  24.3312  14.6715
 ENR  H102  H  HCH2  0   0.246   -1.2632  26.0571  10.3496
 ENR  H101  H  HCH2  0   0.275   -0.6237  27.6352  10.7450
 ENR  H131  H  HCR6  0   0.266    2.6783  24.0520  11.8678
 ENR  H171  H  HCH3  0   0.257    1.1451  21.8059  16.3698
 ENR  H173  H  HCH3  0   0.246    1.7104  23.3386  17.0227
 ENR  H172  H  HCH3  0   0.241    0.6065  23.3079  15.6390
 ENR  H201  H  HCR6  0   0.271    1.0981  26.1271  15.2857
 ENR  H211  H  HCR6  0   0.240   -0.6707  27.0725  13.8867
 ENR  H241  H  HCR6  0   0.249   -5.4507  29.3437  14.8320
 ENR  H261  H  HCR6  0   0.226   -8.0826  23.9705  12.6870
 ENR  H012  H  HCH3  0   0.235   -8.2316  29.6308  17.6569
 ENR  H011  H  HCH3  0   0.229   -8.5324  27.9075  17.4397
 ENR  H013  H  HCH3  0   0.228   -6.9008  28.5507  17.2414
 ENR  H022  H  HCH2  0   0.250   -7.6861  29.8823  15.2455
 ENR  H021  H  HCH2  0   0.250   -9.2891  29.2389  15.4378
 ENR  H061  H  HCR6  0   0.229   -5.5261  24.9875  12.4046
 ENR  H121  H  HCR6  0   0.238    0.8971  24.9965  10.4839
 ENR  H161  H  HCH2  0   0.280    2.4184  22.1820  14.2549
 ENR  H162  H  HCH2  0   0.295    3.4983  22.2338  15.6474
 ENR  H231  H  HCR6  0   0.224   -3.4659  28.5257  13.7100
 ENR  H291  H  HCH1  0   0.211  -12.1903  23.2671  14.3381
 ENR  H302  H  HCH3  0   0.234  -11.4391  20.9754  13.8213
 ENR  H303  H  HCH3  0   0.222  -13.0710  21.2633  13.2290
 ENR  H301  H  HCH3  0   0.222  -11.7212  21.2535  12.0957
 ENR  H313  H  HCH3  0   0.227  -13.7445  23.6317  12.4562
 ENR  H311  H  HCH3  0   0.236  -12.5521  24.9203  12.4509
 ENR  H312  H  HCH3  0   0.225  -12.4128  23.5898  11.2994
 ENR  H321  H  HCR6  0   0.256  -11.6785  25.2699  14.6518
 ENR  H331  H  HCR6  0   0.242  -10.6050  27.2996  15.3993
 ENR  H091  H  HNH1  0   0.389   -2.5073  28.0867  11.8517

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
 ENR  C10  N09   single    1.439  0.020  1.439
 ENR  C10  C11   single    1.508  0.020  1.508
 ENR  C12  C11   aromatic  1.392  0.020  1.392
 ENR  C12  C13   aromatic  1.383  0.020  1.383
 ENR  O22  C08   double    1.223  0.020  1.223
 ENR  N09  C08   single    1.350  0.020  1.350
 ENR  C11  C21   aromatic  1.390  0.020  1.390
 ENR  C08  C07   single    1.485  0.020  1.485
 ENR  C31  C29   single    1.520  0.020  1.520
 ENR  C13  C14   aromatic  1.389  0.020  1.389
 ENR  C07  C06   aromatic  1.390  0.020  1.390
 ENR  C07  C23   aromatic  1.405  0.020  1.405
 ENR  C06  C05   aromatic  1.385  0.020  1.385
 ENR  O28  C29   single    1.425  0.020  1.425
 ENR  O28  C27   single    1.352  0.020  1.352
 ENR  C21  C20   aromatic  1.385  0.020  1.385
 ENR  C30  C29   single    1.516  0.020  1.516
 ENR  C26  C27   aromatic  1.390  0.020  1.390
 ENR  C26  C25   aromatic  1.388  0.020  1.388
 ENR  C23  C24   aromatic  1.380  0.020  1.380
 ENR  C05  C25   aromatic  1.440  0.020  1.440
 ENR  C05  C04   aromatic  1.413  0.020  1.413
 ENR  C14  C20   aromatic  1.387  0.020  1.387
 ENR  C14  S15   single    1.772  0.020  1.772
 ENR  C27  C32   aromatic  1.403  0.020  1.403
 ENR  C25  C34   aromatic  1.406  0.020  1.406
 ENR  O18  S15   double    1.462  0.020  1.462
 ENR  C24  C04   aromatic  1.393  0.020  1.393
 ENR  C04  N03   aromatic  1.364  0.020  1.364
 ENR  C32  C33   aromatic  1.387  0.020  1.387
 ENR  C34  N03   aromatic  1.382  0.020  1.382
 ENR  C34  C33   aromatic  1.386  0.020  1.386
 ENR  S15  C16   single    1.794  0.020  1.794
 ENR  S15  O19   double    1.462  0.020  1.462
 ENR  N03  C02   single    1.445  0.020  1.445
 ENR  C16  C17   single    1.515  0.020  1.515
 ENR  C02  C01   single    1.520  0.020  1.520
 ENR  C10  H102  single    0.970  0.020  1.090
 ENR  C10  H101  single    0.970  0.020  1.090
 ENR  C13  H131  single    0.930  0.020  1.080
 ENR  C17  H171  single    0.970  0.020  1.090
 ENR  C17  H173  single    0.970  0.020  1.090
 ENR  C17  H172  single    0.970  0.020  1.090
 ENR  C20  H201  single    0.930  0.020  1.080
 ENR  C21  H211  single    0.930  0.020  1.080
 ENR  C24  H241  single    0.930  0.020  1.080
 ENR  C26  H261  single    0.930  0.020  1.080
 ENR  C01  H012  single    0.970  0.020  1.090
 ENR  C01  H011  single    0.970  0.020  1.090
 ENR  C01  H013  single    0.970  0.020  1.090
 ENR  C02  H022  single    0.970  0.020  1.090
 ENR  C02  H021  single    0.970  0.020  1.090
 ENR  C06  H061  single    0.930  0.020  1.080
 ENR  C12  H121  single    0.930  0.020  1.080
 ENR  C16  H161  single    0.970  0.020  1.090
 ENR  C16  H162  single    0.970  0.020  1.090
 ENR  C23  H231  single    0.930  0.020  1.080
 ENR  C29  H291  single    0.970  0.020  1.090
 ENR  C30  H302  single    0.970  0.020  1.090
 ENR  C30  H303  single    0.970  0.020  1.090
 ENR  C30  H301  single    0.970  0.020  1.090
 ENR  C31  H313  single    0.970  0.020  1.090
 ENR  C31  H311  single    0.970  0.020  1.090
 ENR  C31  H312  single    0.970  0.020  1.090
 ENR  C32  H321  single    0.930  0.020  1.080
 ENR  C33  H331  single    0.930  0.020  1.080
 ENR  N09  H091  single    0.860  0.020  1.020

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
 ENR  H101  C10  H102  106.41  3.000
 ENR  H101  C10  N09   107.09  3.000
 ENR  H102  C10  N09   110.66  3.000
 ENR  H101  C10  C11   108.58  3.000
 ENR  H102  C10  C11   109.59  3.000
 ENR  N09   C10  C11   114.17  3.000
 ENR  H131  C13  C14   121.19  3.000
 ENR  H131  C13  C12   119.73  3.000
 ENR  C14   C13  C12   119.07  3.000
 ENR  H172  C17  H173  108.86  3.000
 ENR  H172  C17  H171  107.42  3.000
 ENR  H173  C17  H171  107.88  3.000
 ENR  H172  C17  C16   112.18  3.000
 ENR  H173  C17  C16   111.45  3.000
 ENR  H171  C17  C16   108.88  3.000
 ENR  H201  C20  C14   120.95  3.000
 ENR  H201  C20  C21   119.77  3.000
 ENR  C14   C20  C21   119.28  3.000
 ENR  H211  C21  C11   120.31  3.000
 ENR  H211  C21  C20   118.92  3.000
 ENR  C11   C21  C20   120.77  3.000
 ENR  H241  C24  C23   120.04  3.000
 ENR  H241  C24  C04   122.12  3.000
 ENR  C23   C24  C04   117.84  3.000
 ENR  H261  C26  C27   119.60  3.000
 ENR  H261  C26  C25   121.14  3.000
 ENR  C27   C26  C25   119.26  3.000
 ENR  H013  C01  H011  108.15  3.000
 ENR  H013  C01  H012  108.06  3.000
 ENR  H011  C01  H012  107.99  3.000
 ENR  H013  C01  C02   111.21  3.000
 ENR  H011  C01  C02   111.23  3.000
 ENR  H012  C01  C02   110.07  3.000
 ENR  H021  C02  H022  105.70  3.000
 ENR  H021  C02  N03   108.25  3.000
 ENR  H022  C02  N03   108.31  3.000
 ENR  H021  C02  C01   110.68  3.000
 ENR  H022  C02  C01   110.66  3.000
 ENR  N03   C02  C01   112.94  3.000
 ENR  N03   C04  C05   109.45  3.000
 ENR  N03   C04  C24   129.53  3.000
 ENR  C05   C04  C24   121.02  3.000
 ENR  C25   C05  C06   133.60  3.000
 ENR  C25   C05  C04   106.37  3.000
 ENR  C06   C05  C04   120.02  3.000
 ENR  H061  C06  C07   119.93  3.000
 ENR  H061  C06  C05   120.61  3.000
 ENR  C07   C06  C05   119.45  3.000
 ENR  C23   C07  C08   122.20  3.000
 ENR  C23   C07  C06   119.65  3.000
 ENR  C08   C07  C06   118.14  3.000
 ENR  O22   C08  N09   121.41  3.000
 ENR  N09   C08  C07   116.40  3.000
 ENR  O22   C08  C07   122.19  3.000
 ENR  C12   C11  C21   118.96  3.000
 ENR  C21   C11  C10   121.72  3.000
 ENR  C12   C11  C10   119.25  3.000
 ENR  H121  C12  C11   119.95  3.000
 ENR  H121  C12  C13   119.04  3.000
 ENR  C11   C12  C13   121.01  3.000
 ENR  S15   C14  C20   119.90  3.000
 ENR  S15   C14  C13   119.21  3.000
 ENR  C20   C14  C13   120.89  3.000
 ENR  H162  C16  H161  107.72  3.000
 ENR  H162  C16  S15   104.58  3.000
 ENR  H161  C16  S15   106.69  3.000
 ENR  H162  C16  C17   111.63  3.000
 ENR  H161  C16  C17   112.35  3.000
 ENR  S15   C16  C17   113.37  3.000
 ENR  H231  C23  C07   120.44  3.000
 ENR  H231  C23  C24   117.54  3.000
 ENR  C07   C23  C24   121.99  3.000
 ENR  C34   C25  C05   106.17  3.000
 ENR  C34   C25  C26   120.43  3.000
 ENR  C05   C25  C26   133.40  3.000
 ENR  O28   C27  C32   124.46  3.000
 ENR  C32   C27  C26   119.74  3.000
 ENR  O28   C27  C26   115.79  3.000
 ENR  H291  C29  O28   109.80  3.000
 ENR  H291  C29  C31   109.63  3.000
 ENR  O28   C29  C31   111.33  3.000
 ENR  H291  C29  C30   107.91  3.000
 ENR  O28   C29  C30   106.13  3.000
 ENR  C31   C29  C30   111.93  3.000
 ENR  H301  C30  H303  107.88  3.000
 ENR  H301  C30  H302  108.58  3.000
 ENR  H303  C30  H302  107.71  3.000
 ENR  H301  C30  C29   111.36  3.000
 ENR  H303  C30  C29   109.90  3.000
 ENR  H302  C30  C29   111.29  3.000
 ENR  H312  C31  H311  108.08  3.000
 ENR  H312  C31  H313  108.03  3.000
 ENR  H311  C31  H313  107.29  3.000
 ENR  H312  C31  C29   110.76  3.000
 ENR  H311  C31  C29   112.57  3.000
 ENR  H313  C31  C29   109.94  3.000
 ENR  H321  C32  C33   117.51  3.000
 ENR  H321  C32  C27   121.09  3.000
 ENR  C33   C32  C27   121.41  3.000
 ENR  H331  C33  C34   122.21  3.000
 ENR  H331  C33  C32   119.27  3.000
 ENR  C34   C33  C32   118.52  3.000
 ENR  N03   C34  C33   129.97  3.000
 ENR  C33   C34  C25   120.65  3.000
 ENR  N03   C34  C25   109.38  3.000
 ENR  C34   N03  C04   108.60  3.000
 ENR  C34   N03  C02   125.41  3.000
 ENR  C04   N03  C02   125.68  3.000
 ENR  H091  N09  C08   119.74  3.000
 ENR  H091  N09  C10   117.65  3.000
 ENR  C08   N09  C10   121.50  3.000
 ENR  C29   O28  C27   120.84  3.000
 ENR  O19   S15  O18   118.99  3.000
 ENR  O19   S15  C16   108.36  3.000
 ENR  O18   S15  C16   107.64  3.000
 ENR  O19   S15  C14   108.27  3.000
 ENR  C16   S15  C14   104.46  3.000
 ENR  O18   S15  C14   108.18  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
 ENR  CONST_01  C21   C11  C12  C13     0.00   0.0  0
 ENR  CONST_02  C21   C20  C14  C13     0.00   0.0  0
 ENR  CONST_03  C12   C11  C21  C20     0.00   0.0  0
 ENR  CONST_04  C12   C13  C14  C20     0.00   0.0  0
 ENR  CONST_05  C06   C07  C23  C24     0.00   0.0  0
 ENR  CONST_06  C06   C05  C04  C24     0.00   0.0  0
 ENR  CONST_07  C25   C05  C04  C24   180.00   0.0  0
 ENR  CONST_08  C34   N03  C04  C24   180.00   0.0  0
 ENR  CONST_09  C33   C32  C27  C26     0.00   0.0  0
 ENR  CONST_10  C06   C05  C25  C26     0.00   0.0  0
 ENR  CONST_11  C04   C05  C25  C26   180.00   0.0  0
 ENR  CONST_12  N03   C34  C25  C26   180.00   0.0  0
 ENR  CONST_13  C33   C34  C25  C26     0.00   0.0  0
 ENR  CONST_14  C07   C06  C05  C04     0.00   0.0  0
 ENR  CONST_15  C34   C25  C05  C04     0.00   0.0  0
 ENR  CONST_16  C07   C23  C24  C04     0.00   0.0  0
 ENR  CONST_17  C25   C34  N03  C04     0.00   0.0  0
 ENR  CONST_18  C33   C34  N03  C04   180.00   0.0  0
 ENR  CONST_19  C23   C07  C06  C05     0.00   0.0  0
 ENR  CONST_20  C27   C26  C25  C05   180.00   0.0  0
 ENR  CONST_21  N03   C34  C25  C05     0.00   0.0  0
 ENR  CONST_22  C33   C34  C25  C05   180.00   0.0  0
 ENR  CONST_23  C23   C24  C04  C05     0.00   0.0  0
 ENR  CONST_24  C34   N03  C04  C05     0.00   0.0  0
 ENR  CONST_25  C34   C25  C05  C06   180.00   0.0  0
 ENR  CONST_26  N03   C04  C05  C06   180.00   0.0  0
 ENR  CONST_27  C25   C05  C06  C07   180.00   0.0  0
 ENR  CONST_28  C14   C13  C12  C11     0.00   0.0  0
 ENR  CONST_29  C14   C20  C21  C11     0.00   0.0  0
 ENR  CONST_30  N03   C04  C24  C23   180.00   0.0  0
 ENR  CONST_31  C32   C27  C26  C25     0.00   0.0  0
 ENR  CONST_32  N03   C04  C05  C25     0.00   0.0  0
 ENR  CONST_33  C32   C33  C34  C25     0.00   0.0  0
 ENR  CONST_34  C34   C25  C26  C27     0.00   0.0  0
 ENR  CONST_35  C34   C33  C32  C27     0.00   0.0  0
 ENR  CONST_36  N03   C34  C33  C32   180.00   0.0  0
 ENR  CONST_37  C13   C12  C11  C10   180.00   0.0  0
 ENR  CONST_38  C20   C21  C11  C10   180.00   0.0  0
 ENR  CONST_39  S15   C14  C20  C21   180.00   0.0  0
 ENR  CONST_40  C08   C07  C23  C24   180.00   0.0  0
 ENR  CONST_41  C02   N03  C04  C24     0.00   0.0  0
 ENR  CONST_42  C05   C04  N03  C02   180.00   0.0  0
 ENR  CONST_43  C25   C34  N03  C02   180.00   0.0  0
 ENR  CONST_44  C33   C34  N03  C02     0.00   0.0  0
 ENR  CONST_45  C08   C07  C06  C05   180.00   0.0  0
 ENR  CONST_46  S15   C14  C13  C12   180.00   0.0  0
 ENR  CONST_47  O28   C27  C26  C25   180.00   0.0  0
 ENR  CONST_48  O28   C27  C32  C33   180.00   0.0  0
 ENR  CONST_49  H201  C20  C14  C13   180.00   0.0  0
 ENR  CONST_50  H131  C13  C14  C20   180.00   0.0  0
 ENR  CONST_51  H121  C12  C11  C21   180.00   0.0  0
 ENR  CONST_52  H321  C32  C27  C26   180.00   0.0  0
 ENR  CONST_53  H061  C06  C05  C04   180.00   0.0  0
 ENR  CONST_54  H231  C23  C24  C04   180.00   0.0  0
 ENR  CONST_55  H261  C26  C25  C05     0.00   0.0  0
 ENR  CONST_56  H241  C24  C04  C05   180.00   0.0  0
 ENR  CONST_57  H211  C21  C11  C12   180.00   0.0  0
 ENR  CONST_58  H331  C33  C34  C25   180.00   0.0  0
 ENR  CONST_59  C07   C08  N09  C10   180.00   0.0  0
 ENR  CONST_60  H091  N09  C08  C07     0.00   0.0  0
 ENR  CONST_61  O22   C08  N09  C10     0.00   0.0  0
 ENR  Var_01    O18   S15  C14  C13    28.96  30.0  2
 ENR  Var_02    N09   C10  C11  C21   -27.82  30.0  3
 ENR  Var_03    C04   N03  C02  C01   -86.35  30.0  2
 ENR  Var_04    O22   C08  C07  C06   -24.16  30.0  2
 ENR  Var_05    C32   C27  O28  C29     9.29  30.0  2
 ENR  Var_06    C14   S15  C16  C17   -67.25  30.0  2
 ENR  Var_07    C11   C10  N09  C08   -73.83  30.0  1
 ENR  Var_08    C31   C29  O28  C27    73.26  30.0  3
 ENR  Var_09    H012  C01  C02  N03   179.72  30.0  3
 ENR  Var_10    H313  C31  C29  C30    62.15  30.0  3
 ENR  Var_11    H302  C30  C29  C31  -179.69  30.0  3
 ENR  Var_12    H171  C17  C16  S15  -179.24  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
 ENR  plan-1  C10   0.020
 ENR  plan-1  C13   0.020
 ENR  plan-1  C20   0.020
 ENR  plan-1  C21   0.020
 ENR  plan-1  C11   0.020
 ENR  plan-1  C12   0.020
 ENR  plan-1  C14   0.020
 ENR  plan-1  S15   0.020
 ENR  plan-1  H131  0.020
 ENR  plan-1  H201  0.020
 ENR  plan-1  H211  0.020
 ENR  plan-1  H121  0.020
 ENR  plan-2  C24   0.020
 ENR  plan-2  C26   0.020
 ENR  plan-2  C02   0.020
 ENR  plan-2  C04   0.020
 ENR  plan-2  C05   0.020
 ENR  plan-2  C06   0.020
 ENR  plan-2  C07   0.020
 ENR  plan-2  C08   0.020
 ENR  plan-2  C23   0.020
 ENR  plan-2  C25   0.020
 ENR  plan-2  C27   0.020
 ENR  plan-2  C32   0.020
 ENR  plan-2  C33   0.020
 ENR  plan-2  C34   0.020
 ENR  plan-2  N03   0.020
 ENR  plan-2  O28   0.020
 ENR  plan-2  H241  0.020
 ENR  plan-2  H261  0.020
 ENR  plan-2  H061  0.020
 ENR  plan-2  H231  0.020
 ENR  plan-2  H321  0.020
 ENR  plan-2  H331  0.020
 ENR  plan-3  C10   0.020
 ENR  plan-3  C07   0.020
 ENR  plan-3  C08   0.020
 ENR  plan-3  N09   0.020
 ENR  plan-3  O22   0.020
 ENR  plan-3  H091  0.020

