# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Mar 11 02:31:18 2022
#   Inital geometry file: a 173 line input string
#   Ligand name: (2~{S})-2-[(~{Z})-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)\C=C(/O)[C@@H]3CCCN3C(O)=O
#
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
 BWL  BWL  '(2~{S})-2-[(~{Z})-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid'  ligand  71  38  .  2022-03-15  2022-03-15
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_BWL
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
 BWL  C1   C  CH2    0  -0.411   99.9947  57.4073  191.3429
 BWL  C2   C  CR6    0   0.147   98.9415  56.3558  191.5998
 BWL  C3   C  CR16   0  -0.294   99.2248  55.2065  192.3366
 BWL  C4   C  CR16   0  -0.281   98.2587  54.2390  192.5415
 BWL  C5   C  CR6    0   0.070   96.9726  54.3799  192.0165
 BWL  C6   C  CR16   0  -0.291   96.6925  55.5208  191.2680
 BWL  C7   C  CR16   0  -0.301   97.6659  56.4893  191.0630
 BWL  C8   C  CR6    0   0.094   95.9499  53.3488  192.2715
 BWL  C9   C  CR16   0  -0.297   94.6225  53.6922  192.5244
 BWL  C10  C  CR16   0  -0.265   93.6727  52.7214  192.8032
 BWL  C11  C  CR6    0  -0.212   94.0381  51.3823  192.8363
 BWL  C12  C  CR16   0  -0.251   95.3554  51.0224  192.5703
 BWL  C13  C  CR16   0  -0.298   96.2958  51.9957  192.2910
 BWL  C14  C  CT     0   1.050   93.0411  50.3074  193.1271
 BWL  F15  F  F      0  -0.316   92.7203  49.6143  192.0225
 BWL  F17  F  F      0  -0.312   93.5132  49.4139  194.0088
 BWL  F18  F  F      0  -0.303   91.9005  50.7870  193.6301
 BWL  N19  N  NT     0  -0.442  100.6459  57.9355  192.5300
 BWL  C20  C  CH2    0  -0.315  100.0949  59.1565  193.0905
 BWL  C21  C  CH2    0  -0.292   98.6062  59.1122  193.4154
 BWL  N22  N  NT     0  -0.395   98.2226  58.1034  194.3758
 BWL  C23  C  CH2    0  -0.274   96.7881  57.8785  194.3758
 BWL  C24  C  CH3    0  -0.678   96.3722  56.6079  195.0987
 BWL  C25  C  CH2    0  -0.306   98.7674  58.3152  195.7133
 BWL  C26  C  CH3    0  -0.661   99.5943  57.1369  196.2048
 BWL  C27  C  C      0   0.571  101.8275  57.3819  192.9251
 BWL  O28  O  O      0  -0.511  102.2377  56.3447  192.4086
 BWL  C29  C  C1     0  -0.564  102.5955  58.0809  193.9700
 BWL  C30  C  C      0   0.406  103.2663  57.4577  194.9501
 BWL  O31  O  OH1    0  -0.604  103.2295  56.1248  195.0879
 BWL  C32  C  CR15   0  -0.160  104.0309  58.1967  196.0276
 BWL  C33  C  CH2    0  -0.475  103.2167  58.2559  197.3354
 BWL  C34  C  CH2    0  -0.489  102.4978  59.5948  197.2298
 BWL  C35  C  CH2    0  -0.237  103.5377  60.4896  196.5645
 BWL  N36  N  NR5    0  -0.500  104.2862  59.5755  195.7255
 BWL  C37  C  C      0   0.515  105.4070  59.9745  194.9760
 BWL  O38  O  O      0  -0.637  106.0549  59.0611  194.4225
 BWL  H1   H  HCH2   0   0.268  100.7583  56.9941  190.6824
 BWL  H2   H  HCH2   0   0.264   99.5450  58.2449  190.8040
 BWL  H3   H  HCR6   0   0.259  100.2078  55.0654  192.7633
 BWL  H4   H  HCR6   0   0.251   98.5042  53.3729  193.1438
 BWL  H5   H  HCR6   0   0.251   95.7117  55.6555  190.8284
 BWL  H6   H  HCR6   0   0.252   97.4200  57.3672  190.4764
 BWL  H7   H  HCR6   0   0.263   94.3235  54.7328  192.5321
 BWL  H8   H  HCR6   0   0.271   92.6562  53.0296  193.0070
 BWL  H9   H  HCR6   0   0.274   95.6610  49.9839  192.5769
 BWL  H10  H  HCR6   0   0.264   97.3120  51.6936  192.0730
 BWL  H11  H  HCH2   0   0.259  100.6489  59.4123  193.9898
 BWL  H12  H  HCH2   0   0.241  100.2431  59.9849  192.3879
 BWL  H13  H  HCH2   0   0.207   98.3401  60.1331  193.7409
 BWL  H14  H  HCH2   0   0.237   98.0407  58.9391  192.4971
 BWL  H16  H  HCH2   0   0.184   96.2410  58.7343  194.8089
 BWL  H17  H  HCH2   0   0.226   96.4629  57.8005  193.3363
 BWL  H18  H  HCH3   0   0.226   95.2951  56.4639  195.0039
 BWL  H19  H  HCH3   0   0.226   96.8680  55.7377  194.6680
 BWL  H20  H  HCH3   0   0.223   96.6020  56.6394  196.1645
 BWL  H21  H  HCH2   0   0.230   99.3893  59.2159  195.7271
 BWL  H22  H  HCH2   0   0.219   97.9591  58.5211  196.4257
 BWL  H23  H  HCH3   0   0.213   99.9725  57.3193  197.2127
 BWL  H24  H  HCH3   0   0.225   99.0039  56.2207  196.2275
 BWL  H25  H  HCH3   0   0.229  100.4516  56.9686  195.5542
 BWL  H26  H  H      0   0.277  102.6636  59.1591  193.9622
 BWL  H27  H  HOH1   0   0.473  103.7489  55.8495  195.8531
 BWL  H28  H  HCR5   0   0.253  104.9686  57.6496  196.1877
 BWL  H29  H  HCH2   0   0.243  103.9050  58.2609  198.1833
 BWL  H30  H  HCH2   0   0.249  102.5412  57.4101  197.4717
 BWL  H31  H  HCH2   0   0.241  102.1707  59.9792  198.1957
 BWL  H32  H  HCH2   0   0.242  101.6120  59.5013  196.5968
 BWL  H33  H  HCH2   0   0.200  104.1760  60.9669  197.3185
 BWL  H34  H  HCH2   0   0.215  103.0750  61.2905  195.9841
 BWL  O1   O  OC    -1  -0.636  105.6301  61.2027  194.9369

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
 BWL  F15  C14  single    1.343  0.020  1.343
 BWL  C14  C11  single    1.495  0.020  1.495
 BWL  C14  F18  single    1.336  0.020  1.336
 BWL  C14  F17  single    1.341  0.020  1.341
 BWL  C6   C7   aromatic  1.388  0.020  1.388
 BWL  C6   C5   aromatic  1.393  0.020  1.393
 BWL  C10  C11  aromatic  1.389  0.020  1.389
 BWL  C10  C9   aromatic  1.387  0.020  1.387
 BWL  C11  C12  aromatic  1.391  0.020  1.391
 BWL  C7   C2   aromatic  1.390  0.020  1.390
 BWL  C9   C8   aromatic  1.394  0.020  1.394
 BWL  C12  C13  aromatic  1.382  0.020  1.382
 BWL  C8   C13  aromatic  1.397  0.020  1.397
 BWL  C8   C5   single    1.475  0.020  1.475
 BWL  C5   C4   aromatic  1.396  0.020  1.396
 BWL  C2   C1   single    1.510  0.020  1.510
 BWL  C2   C3   aromatic  1.394  0.020  1.394
 BWL  C1   N19  single    1.453  0.020  1.453
 BWL  C4   C3   aromatic  1.383  0.020  1.383
 BWL  O28  C27  double    1.229  0.020  1.229
 BWL  C27  N19  single    1.363  0.020  1.363
 BWL  C27  C29  single    1.473  0.020  1.473
 BWL  N19  C20  single    1.452  0.020  1.452
 BWL  C29  C30  double    1.341  0.020  1.341
 BWL  C37  O38  deloc     1.249  0.020  1.249
 BWL  C37  N36  single    1.406  0.020  1.406
 BWL  C21  C20  single    1.524  0.020  1.524
 BWL  C21  N22  single    1.445  0.020  1.445
 BWL  C35  N36  single    1.449  0.020  1.449
 BWL  C35  C34  single    1.525  0.020  1.525
 BWL  N36  C32  single    1.434  0.020  1.434
 BWL  C23  N22  single    1.452  0.020  1.452
 BWL  C23  C24  single    1.520  0.020  1.520
 BWL  C30  C32  single    1.514  0.020  1.514
 BWL  C30  O31  single    1.340  0.020  1.340
 BWL  N22  C25  single    1.460  0.020  1.460
 BWL  C34  C33  single    1.523  0.020  1.523
 BWL  C32  C33  single    1.542  0.020  1.542
 BWL  C25  C26  single    1.521  0.020  1.521
 BWL  C1   H1   single    0.970  0.020  1.090
 BWL  C1   H2   single    0.970  0.020  1.090
 BWL  C3   H3   single    0.930  0.020  1.080
 BWL  C4   H4   single    0.930  0.020  1.080
 BWL  C6   H5   single    0.930  0.020  1.080
 BWL  C7   H6   single    0.930  0.020  1.080
 BWL  C9   H7   single    0.930  0.020  1.080
 BWL  C10  H8   single    0.930  0.020  1.080
 BWL  C12  H9   single    0.930  0.020  1.080
 BWL  C13  H10  single    0.930  0.020  1.080
 BWL  C20  H11  single    0.970  0.020  1.090
 BWL  C20  H12  single    0.970  0.020  1.090
 BWL  C21  H13  single    0.970  0.020  1.090
 BWL  C21  H14  single    0.970  0.020  1.090
 BWL  C23  H16  single    0.970  0.020  1.090
 BWL  C23  H17  single    0.970  0.020  1.090
 BWL  C24  H18  single    0.970  0.020  1.090
 BWL  C24  H19  single    0.970  0.020  1.090
 BWL  C24  H20  single    0.970  0.020  1.090
 BWL  C25  H21  single    0.970  0.020  1.090
 BWL  C25  H22  single    0.970  0.020  1.090
 BWL  C26  H23  single    0.970  0.020  1.090
 BWL  C26  H24  single    0.970  0.020  1.090
 BWL  C26  H25  single    0.970  0.020  1.090
 BWL  C29  H26  single    0.930  0.020  1.080
 BWL  O31  H27  single    0.850  0.020  0.980
 BWL  C32  H28  single    0.970  0.020  1.090
 BWL  C33  H29  single    0.970  0.020  1.090
 BWL  C33  H30  single    0.970  0.020  1.090
 BWL  C34  H31  single    0.970  0.020  1.090
 BWL  C34  H32  single    0.970  0.020  1.090
 BWL  C35  H33  single    0.970  0.020  1.090
 BWL  C35  H34  single    0.970  0.020  1.090
 BWL  C37  O1   deloc     1.249  0.020  1.249

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
 BWL  H2   C1   H1   106.25  3.000
 BWL  H2   C1   N19  107.97  3.000
 BWL  H1   C1   N19  108.57  3.000
 BWL  H2   C1   C2   109.31  3.000
 BWL  H1   C1   C2   109.11  3.000
 BWL  N19  C1   C2   115.25  3.000
 BWL  C7   C2   C3   118.01  3.000
 BWL  C3   C2   C1   121.47  3.000
 BWL  C7   C2   C1   120.48  3.000
 BWL  H3   C3   C4   119.06  3.000
 BWL  H3   C3   C2   120.07  3.000
 BWL  C4   C3   C2   120.87  3.000
 BWL  H4   C4   C5   119.91  3.000
 BWL  H4   C4   C3   118.92  3.000
 BWL  C5   C4   C3   121.15  3.000
 BWL  C8   C5   C6   121.75  3.000
 BWL  C8   C5   C4   120.21  3.000
 BWL  C6   C5   C4   118.03  3.000
 BWL  H5   C6   C7   119.22  3.000
 BWL  H5   C6   C5   120.13  3.000
 BWL  C7   C6   C5   120.64  3.000
 BWL  H6   C7   C6   119.06  3.000
 BWL  H6   C7   C2   119.65  3.000
 BWL  C6   C7   C2   121.28  3.000
 BWL  C13  C8   C9   118.16  3.000
 BWL  C13  C8   C5   120.53  3.000
 BWL  C9   C8   C5   121.30  3.000
 BWL  H7   C9   C10  118.83  3.000
 BWL  H7   C9   C8   120.07  3.000
 BWL  C10  C9   C8   121.08  3.000
 BWL  H8   C10  C11  121.17  3.000
 BWL  H8   C10  C9   118.83  3.000
 BWL  C11  C10  C9   119.99  3.000
 BWL  C14  C11  C12  118.87  3.000
 BWL  C12  C11  C10  119.61  3.000
 BWL  C14  C11  C10  121.51  3.000
 BWL  H9   C12  C13  118.99  3.000
 BWL  H9   C12  C11  120.95  3.000
 BWL  C13  C12  C11  120.06  3.000
 BWL  H10  C13  C12  118.89  3.000
 BWL  H10  C13  C8   120.01  3.000
 BWL  C12  C13  C8   121.10  3.000
 BWL  F18  C14  F17  107.00  3.000
 BWL  F17  C14  F15  106.32  3.000
 BWL  F18  C14  F15  106.92  3.000
 BWL  F17  C14  C11  111.85  3.000
 BWL  F18  C14  C11  112.62  3.000
 BWL  F15  C14  C11  111.74  3.000
 BWL  C27  N19  C20  123.95  3.000
 BWL  C20  N19  C1   116.80  3.000
 BWL  C27  N19  C1   118.52  3.000
 BWL  H12  C20  H11  106.47  3.000
 BWL  H12  C20  C21  106.89  3.000
 BWL  H11  C20  C21  109.17  3.000
 BWL  H12  C20  N19  109.67  3.000
 BWL  H11  C20  N19  108.90  3.000
 BWL  C21  C20  N19  115.37  3.000
 BWL  H14  C21  H13  105.64  3.000
 BWL  H14  C21  N22  108.11  3.000
 BWL  H13  C21  N22  112.68  3.000
 BWL  H14  C21  C20  109.33  3.000
 BWL  H13  C21  C20  105.74  3.000
 BWL  N22  C21  C20  114.91  3.000
 BWL  C25  N22  C23  113.03  3.000
 BWL  C25  N22  C21  114.12  3.000
 BWL  C23  N22  C21  111.74  3.000
 BWL  H17  C23  H16  106.33  3.000
 BWL  H17  C23  C24  108.15  3.000
 BWL  H16  C23  C24  109.02  3.000
 BWL  H17  C23  N22  107.78  3.000
 BWL  H16  C23  N22  111.68  3.000
 BWL  C24  C23  N22  113.56  3.000
 BWL  H20  C24  H19  108.26  3.000
 BWL  H20  C24  H18  107.26  3.000
 BWL  H19  C24  H18  108.02  3.000
 BWL  H20  C24  C23  112.52  3.000
 BWL  H19  C24  C23  110.79  3.000
 BWL  H18  C24  C23  109.83  3.000
 BWL  H22  C25  H21  104.84  3.000
 BWL  H22  C25  C26  109.64  3.000
 BWL  H21  C25  C26  108.93  3.000
 BWL  H22  C25  N22  110.32  3.000
 BWL  H21  C25  N22  110.06  3.000
 BWL  C26  C25  N22  112.74  3.000
 BWL  H25  C26  H24  107.99  3.000
 BWL  H25  C26  H23  107.73  3.000
 BWL  H24  C26  H23  107.98  3.000
 BWL  H25  C26  C25  110.77  3.000
 BWL  H24  C26  C25  111.30  3.000
 BWL  H23  C26  C25  110.93  3.000
 BWL  C29  C27  O28  121.63  3.000
 BWL  C29  C27  N19  117.69  3.000
 BWL  O28  C27  N19  120.67  3.000
 BWL  H26  C29  C30  115.94  3.000
 BWL  H26  C29  C27  120.09  3.000
 BWL  C30  C29  C27  123.96  3.000
 BWL  C32  C30  O31  115.22  3.000
 BWL  O31  C30  C29  121.56  3.000
 BWL  C32  C30  C29  123.08  3.000
 BWL  H27  O31  C30  110.52  3.000
 BWL  H28  C32  N36  110.97  3.000
 BWL  H28  C32  C33  110.28  3.000
 BWL  N36  C32  C33  103.64  3.000
 BWL  H28  C32  C30  106.98  3.000
 BWL  C33  C32  C30  110.84  3.000
 BWL  N36  C32  C30  114.16  3.000
 BWL  H30  C33  H29  107.26  3.000
 BWL  H30  C33  C34  113.45  3.000
 BWL  H29  C33  C34  110.32  3.000
 BWL  H30  C33  C32  113.78  3.000
 BWL  H29  C33  C32  109.02  3.000
 BWL  C34  C33  C32  102.95  3.000
 BWL  H32  C34  H31  107.48  3.000
 BWL  H32  C34  C35  110.51  3.000
 BWL  H31  C34  C35  112.61  3.000
 BWL  H32  C34  C33  110.33  3.000
 BWL  H31  C34  C33  112.96  3.000
 BWL  C35  C34  C33  102.96  3.000
 BWL  H34  C35  H33  107.02  3.000
 BWL  H34  C35  N36  111.96  3.000
 BWL  H33  C35  N36  111.83  3.000
 BWL  H34  C35  C34  111.92  3.000
 BWL  H33  C35  C34  110.62  3.000
 BWL  N36  C35  C34  103.58  3.000
 BWL  C37  N36  C35  122.77  3.000
 BWL  C35  N36  C32  113.11  3.000
 BWL  C37  N36  C32  121.80  3.000
 BWL  O1   C37  O38  127.78  3.000
 BWL  O1   C37  N36  115.98  3.000
 BWL  O38  C37  N36  116.23  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
 BWL  CONST_01  C5   C6   C7   C2      0.00   0.0  0
 BWL  CONST_02  C5   C4   C3   C2      0.00   0.0  0
 BWL  CONST_03  C6   C7   C2   C3      0.00   0.0  0
 BWL  CONST_04  C6   C5   C4   C3      0.00   0.0  0
 BWL  CONST_05  C8   C5   C4   C3    180.00   0.0  0
 BWL  CONST_06  C7   C6   C5   C4      0.00   0.0  0
 BWL  CONST_09  C7   C2   C3   C4      0.00   0.0  0
 BWL  CONST_10  C10  C9   C8   C5    180.00   0.0  0
 BWL  CONST_11  C12  C13  C8   C5    180.00   0.0  0
 BWL  CONST_14  C8   C5   C6   C7    180.00   0.0  0
 BWL  CONST_15  C11  C10  C9   C8      0.00   0.0  0
 BWL  CONST_16  C11  C12  C13  C8      0.00   0.0  0
 BWL  CONST_17  C12  C11  C10  C9      0.00   0.0  0
 BWL  CONST_18  C12  C13  C8   C9      0.00   0.0  0
 BWL  CONST_19  C13  C12  C11  C10     0.00   0.0  0
 BWL  CONST_20  C13  C8   C9   C10     0.00   0.0  0
 BWL  CONST_21  C6   C7   C2   C1    180.00   0.0  0
 BWL  CONST_22  C4   C3   C2   C1    180.00   0.0  0
 BWL  CONST_23  C14  C11  C10  C9    180.00   0.0  0
 BWL  CONST_24  C14  C11  C12  C13   180.00   0.0  0
 BWL  CONST_25  H5   C6   C7   C2    180.00   0.0  0
 BWL  CONST_26  H4   C4   C3   C2    180.00   0.0  0
 BWL  CONST_27  H6   C7   C2   C3    180.00   0.0  0
 BWL  CONST_28  H7   C9   C8   C5      0.00   0.0  0
 BWL  CONST_29  H10  C13  C8   C5      0.00   0.0  0
 BWL  CONST_30  H3   C3   C4   C5    180.00   0.0  0
 BWL  CONST_31  H8   C10  C9   C8    180.00   0.0  0
 BWL  CONST_32  H9   C12  C13  C8    180.00   0.0  0
 BWL  CONST_33  O28  C27  N19  C1      0.00   0.0  0
 BWL  CONST_34  C29  C27  N19  C1    180.00   0.0  0
 BWL  CONST_35  O28  C27  N19  C20   180.00   0.0  0
 BWL  CONST_36  C29  C27  N19  C20     0.00   0.0  0
 BWL  Var_01    C34  C35  N36  C32   -13.45  30.0  1
 BWL  Var_02    C35  C34  C33  C32   -37.04  30.0  1
 BWL  Var_03    N36  C35  C34  C33    31.15  30.0  1
 BWL  Var_04    N19  C1   C2   C3    -54.69  30.0  2
 BWL  Var_05    F15  C14  C11  C10   106.25  30.0  3
 BWL  Var_06    O38  C37  N36  C32    10.25  30.0  2
 BWL  Var_07    C32  C30  C29  C27  -178.97   0.0  2
 BWL  Var_08    C27  N19  C1   C2     94.95  30.0  3
 BWL  Var_09    C21  C20  N19  C1     54.59  30.0  3
 BWL  Var_10    C30  C29  C27  N19   141.44  30.0  2
 BWL  Var_11    N22  C21  C20  N19    59.96  30.0  3
 BWL  Var_12    C23  N22  C21  C20  -164.88  30.0  3
 BWL  Var_13    C24  C23  N22  C21   165.56  30.0  2
 BWL  Var_14    C26  C25  N22  C21  -122.59  30.0  3
 BWL  Var_15    H18  C24  C23  N22  -176.19  30.0  3
 BWL  Var_16    H23  C26  C25  N22  -179.03  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
 BWL  chir_01  C32  N36  C30  C33  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
 BWL  plan-1  C1   0.020
 BWL  plan-1  C2   0.020
 BWL  plan-1  C3   0.020
 BWL  plan-1  C4   0.020
 BWL  plan-1  C5   0.020
 BWL  plan-1  C6   0.020
 BWL  plan-1  C7   0.020
 BWL  plan-1  C8   0.020
 BWL  plan-1  H3   0.020
 BWL  plan-1  H4   0.020
 BWL  plan-1  H5   0.020
 BWL  plan-1  H6   0.020
 BWL  plan-2  C5   0.020
 BWL  plan-2  C8   0.020
 BWL  plan-2  C9   0.020
 BWL  plan-2  C10  0.020
 BWL  plan-2  C11  0.020
 BWL  plan-2  C12  0.020
 BWL  plan-2  C13  0.020
 BWL  plan-2  C14  0.020
 BWL  plan-2  H7   0.020
 BWL  plan-2  H8   0.020
 BWL  plan-2  H9   0.020
 BWL  plan-2  H10  0.020
 BWL  plan-3  C1   0.020
 BWL  plan-3  N19  0.020
 BWL  plan-3  C20  0.020
 BWL  plan-3  C27  0.020
 BWL  plan-3  O28  0.020
 BWL  plan-3  C29  0.020
 BWL  plan-4  N36  0.020
 BWL  plan-4  C37  0.020
 BWL  plan-4  O38  0.020
 BWL  plan-4  O1   0.020
 BWL  plan-5  C27  0.020
 BWL  plan-5  C29  0.020
 BWL  plan-5  C30  0.020
 BWL  plan-5  O31  0.020
 BWL  plan-5  C32  0.020
 BWL  plan-5  H26  0.020

