# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Apr 26 17:56:47 2020
#   Inital geometry file: a 162 line input string
#   Ligand name: (2S)-2-(2-carboxyethyl)-6-{[{2-[(furan-2-ylmethyl)carbamoyl]benzyl}(methyl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN(Cc1ccccc1C(=O)NCc2occc2)Cc3ccc4O[C@@H](CCC(O)=O)COc4c3C(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
 NFW  NFW  '(2S)-2-(2-carboxyethyl)-6-{[{2-[(furan-2-ylmethyl)carbamoyl]benzyl}(methyl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid'  ligand  63  37  .  2021-08-15  2021-08-15  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_NFW
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
 NFW  C1    C  CR16   0  -0.258  -5.8379  -3.0609   2.2324
 NFW  C2    C  CR16   0  -0.240  -4.9533  -4.0915   1.9484
 NFW  C3    C  CR15   0  -0.338  -3.9533   4.3367   1.1237
 NFW  C4    C  CR16   0  -0.264  -5.7515  -1.8759   1.5232
 NFW  C5    C  CR16   0  -0.290  -3.9899  -3.9116   0.9703
 NFW  C6    C  CR16   0  -0.317   1.7973  -2.3667  -1.0689
 NFW  C7    C  CR16   0  -0.371   3.0926  -1.9849  -0.7633
 NFW  C8    C  CR15   0  -0.383  -3.1395   3.3161   0.5445
 NFW  C9    C  CR15   0  -0.021  -5.1730   4.2093   0.5498
 NFW  C10   C  CR6    0  -0.070  -4.7696  -1.6809   0.5500
 NFW  C11   C  CR6    0  -0.159   1.0302  -0.1053  -0.8167
 NFW  C12   C  CR6    0   0.113  -3.8662  -2.7132   0.2666
 NFW  C13   C  CR6    0   0.030   0.7547  -1.4431  -1.0984
 NFW  C14   C  CR6    0   0.304   3.3703  -0.6538  -0.4846
 NFW  C15   C  CR6    0   0.303   2.3327   0.2797  -0.5167
 NFW  C16   C  CR5    0   0.344  -3.9302   2.6461  -0.3306
 NFW  C19   C  C      0   0.467  -4.8333  -0.3667  -0.1726
 NFW  C21   C  C      0   0.416   8.7072   0.8456   0.9656
 NFW  C22   C  CH2    0  -0.188   3.9317   1.9703  -0.4079
 NFW  C23   C  CH1    0  -0.009   4.8277   1.0050   0.3410
 NFW  C24   C  CH2    0  -0.391  -2.7804  -2.6305  -0.7767
 NFW  C25   C  CH2    0  -0.331  -0.6299  -1.9183  -1.4482
 NFW  C26   C  CH2    0  -0.434  -3.6532   1.4798  -1.2177
 NFW  C27   C  CH3    0  -0.520  -1.0480  -2.4033   0.8936
 NFW  C29   C  CH2    0  -0.445   6.2928   1.3694   0.2152
 NFW  N30   N  NH1    0  -0.649  -3.6784   0.2035  -0.5291
 NFW  N31   N  NT     0  -0.417  -1.5978  -1.8855  -0.3454
 NFW  O32   O  O      0  -0.578  -0.4224   1.3767   0.2765
 NFW  O33   O  OC    -1  -0.631   9.4779   0.1082   1.6149
 NFW  O34   O  O      0  -0.494  -5.9218   0.1559  -0.3898
 NFW  O35   O  OC    -1  -0.598  -0.4391   1.3175  -1.9627
 NFW  O36   O  O      0  -0.607   9.0305   1.8438   0.2929
 NFW  O37   O  O      0  -0.403  -5.1694   3.1886  -0.3312
 NFW  O38   O  O2     0  -0.478   2.5713   1.5971  -0.2820
 NFW  O39   O  O2     0  -0.489   4.6447  -0.3056  -0.1928
 NFW  H1    H  HCR6   0   0.260  -6.5980  -3.1817   2.9929
 NFW  H2    H  HCR6   0   0.260  -5.0146  -5.0313   2.4815
 NFW  H4    H  HCR6   0   0.258  -6.4581  -1.0827   1.7279
 NFW  H5    H  HCR6   0   0.256  -3.3055  -4.7202   0.7415
 NFW  H3    H  HCR5   0   0.255  -3.6673   5.0689   1.8618
 NFW  H8    H  HCR5   0   0.268  -2.1037   3.0868   0.7373
 NFW  H9    H  HCR5   0   0.272  -6.0980   4.7519   0.6604
 NFW  H6    H  HCR6   0   0.242   1.5911  -3.4088  -1.2816
 NFW  H7    H  HCR6   0   0.256   3.8949  -2.7116  -0.7415
 NFW  H241  H  HCH2   0   0.238  -2.5042  -3.6589  -1.0555
 NFW  H242  H  HCH2   0   0.261  -3.1579  -2.1579  -1.6876
 NFW  H251  H  HCH2   0   0.247  -1.0406  -1.3159  -2.2628
 NFW  H252  H  HCH2   0   0.216  -0.5376  -2.9467  -1.8317
 NFW  H261  H  HCH2   0   0.255  -4.3604   1.4685  -2.0495
 NFW  H262  H  HCH2   0   0.299  -2.6530   1.5890  -1.6337
 NFW  H30   H  HNH1   0   0.430  -2.7886  -0.2464  -0.3063
 NFW  H281  H  HCH2   0   0.230   7.1157  -0.5719   0.6878
 NFW  H282  H  HCH2   0   0.223   6.9028   0.4632   2.0693
 NFW  H23   H  HCH1   0   0.235   4.5320   0.9994   1.4000
 NFW  H221  H  HCH2   0   0.253   4.0241   2.9731   0.0078
 NFW  H222  H  HCH2   0   0.229   4.2209   2.0082  -1.4656
 NFW  H291  H  HCH2   0   0.222   6.5736   1.3631  -0.8420
 NFW  H292  H  HCH2   0   0.228   6.4072   2.4017   0.5547
 NFW  H271  H  HCH3   0   0.195  -0.7158  -3.4491   0.8187
 NFW  H272  H  HCH3   0   0.252  -0.1981  -1.7991   1.2023
 NFW  H273  H  HCH3   0   0.245  -1.7921  -2.3447   1.6857
 NFW  C28   C  CH2    0  -0.588   7.2156   0.4663   1.0186
 NFW  C20   C  C      0   0.395  -0.0499   0.9638  -0.8334

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
 NFW  C1   C2    aromatic  1.387  0.020  1.387
 NFW  C1   C4    aromatic  1.384  0.020  1.384
 NFW  C2   C5    aromatic  1.385  0.020  1.385
 NFW  C3   C8    aromatic  1.428  0.020  1.428
 NFW  C3   C9    aromatic  1.354  0.020  1.354
 NFW  C4   C10   aromatic  1.396  0.020  1.396
 NFW  C5   C12   aromatic  1.395  0.020  1.395
 NFW  C6   C7    aromatic  1.385  0.020  1.385
 NFW  C6   C13   aromatic  1.393  0.020  1.393
 NFW  C7   C14   aromatic  1.388  0.020  1.388
 NFW  C8   C16   aromatic  1.356  0.020  1.356
 NFW  C9   O37   aromatic  1.348  0.020  1.348
 NFW  C10  C12   aromatic  1.401  0.020  1.401
 NFW  C10  C19   single    1.501  0.020  1.501
 NFW  C11  C13   aromatic  1.395  0.020  1.395
 NFW  C11  C15   aromatic  1.391  0.020  1.391
 NFW  C11  C20   single    1.520  0.020  1.520
 NFW  C12  C24   single    1.508  0.020  1.508
 NFW  C13  C25   single    1.505  0.020  1.505
 NFW  C14  C15   aromatic  1.396  0.020  1.396
 NFW  C14  O39   single    1.353  0.020  1.353
 NFW  C15  O38   single    1.359  0.020  1.359
 NFW  C16  C26   single    1.491  0.020  1.491
 NFW  C16  O37   aromatic  1.353  0.020  1.353
 NFW  C19  N30   single    1.336  0.020  1.336
 NFW  C19  O34   double    1.227  0.020  1.227
 NFW  C20  O32   deloc     1.241  0.020  1.241
 NFW  C20  O35   deloc     1.246  0.020  1.246
 NFW  C21  C28   single    1.540  0.020  1.540
 NFW  C21  O33   deloc     1.249  0.020  1.249
 NFW  C21  O36   deloc     1.246  0.020  1.246
 NFW  C23  C22   single    1.515  0.020  1.515
 NFW  C23  C29   single    1.515  0.020  1.515
 NFW  C23  O39   single    1.427  0.020  1.427
 NFW  C22  O38   single    1.416  0.020  1.416
 NFW  C24  N31   single    1.463  0.020  1.463
 NFW  C25  N31   single    1.468  0.020  1.468
 NFW  C26  N30   single    1.450  0.020  1.450
 NFW  C27  N31   single    1.451  0.020  1.451
 NFW  C28  C29   single    1.521  0.020  1.521
 NFW  C1   H1    single    0.930  0.020  1.080
 NFW  C2   H2    single    0.930  0.020  1.080
 NFW  C4   H4    single    0.930  0.020  1.080
 NFW  C5   H5    single    0.930  0.020  1.080
 NFW  C3   H3    single    0.930  0.020  1.080
 NFW  C8   H8    single    0.930  0.020  1.080
 NFW  C9   H9    single    0.930  0.020  1.080
 NFW  C6   H6    single    0.930  0.020  1.080
 NFW  C7   H7    single    0.930  0.020  1.080
 NFW  C24  H241  single    0.970  0.020  1.090
 NFW  C24  H242  single    0.970  0.020  1.090
 NFW  C25  H251  single    0.970  0.020  1.090
 NFW  C25  H252  single    0.970  0.020  1.090
 NFW  C26  H261  single    0.970  0.020  1.090
 NFW  C26  H262  single    0.970  0.020  1.090
 NFW  N30  H30   single    0.860  0.020  1.020
 NFW  C28  H281  single    0.970  0.020  1.090
 NFW  C28  H282  single    0.970  0.020  1.090
 NFW  C23  H23   single    0.970  0.020  1.090
 NFW  C22  H221  single    0.970  0.020  1.090
 NFW  C22  H222  single    0.970  0.020  1.090
 NFW  C29  H291  single    0.970  0.020  1.090
 NFW  C29  H292  single    0.970  0.020  1.090
 NFW  C27  H271  single    0.970  0.020  1.090
 NFW  C27  H272  single    0.970  0.020  1.090
 NFW  C27  H273  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
 NFW  H1    C1   C4    119.98  3.000
 NFW  H1    C1   C2    120.59  3.000
 NFW  C4    C1   C2    119.43  3.000
 NFW  H2    C2   C5    120.01  3.000
 NFW  H2    C2   C1    120.54  3.000
 NFW  C5    C2   C1    119.45  3.000
 NFW  H3    C3   C9    126.37  3.000
 NFW  H3    C3   C8    127.72  3.000
 NFW  C9    C3   C8    105.91  3.000
 NFW  H4    C4   C10   119.27  3.000
 NFW  H4    C4   C1    119.35  3.000
 NFW  C10   C4   C1    121.38  3.000
 NFW  H5    C5   C12   118.58  3.000
 NFW  H5    C5   C2    119.45  3.000
 NFW  C12   C5   C2    121.97  3.000
 NFW  H6    C6   C13   119.42  3.000
 NFW  H6    C6   C7    119.12  3.000
 NFW  C13   C6   C7    121.46  3.000
 NFW  H7    C7   C14   119.43  3.000
 NFW  H7    C7   C6    120.84  3.000
 NFW  C14   C7   C6    119.73  3.000
 NFW  H8    C8   C16   124.77  3.000
 NFW  H8    C8   C3    128.82  3.000
 NFW  C16   C8   C3    106.41  3.000
 NFW  H9    C9   O37   116.76  3.000
 NFW  H9    C9   C3    133.00  3.000
 NFW  O37   C9   C3    110.23  3.000
 NFW  C19   C10  C12   125.12  3.000
 NFW  C19   C10  C4    115.34  3.000
 NFW  C12   C10  C4    119.45  3.000
 NFW  C20   C11  C15   118.24  3.000
 NFW  C20   C11  C13   122.15  3.000
 NFW  C15   C11  C13   119.61  3.000
 NFW  C24   C12  C10   124.32  3.000
 NFW  C24   C12  C5    117.38  3.000
 NFW  C10   C12  C5    118.29  3.000
 NFW  C25   C13  C11   122.11  3.000
 NFW  C25   C13  C6    118.95  3.000
 NFW  C11   C13  C6    118.94  3.000
 NFW  O39   C14  C15   122.20  3.000
 NFW  O39   C14  C7    118.60  3.000
 NFW  C15   C14  C7    119.20  3.000
 NFW  O38   C15  C14   120.91  3.000
 NFW  O38   C15  C11   118.03  3.000
 NFW  C14   C15  C11   121.05  3.000
 NFW  O37   C16  C26   118.92  3.000
 NFW  O37   C16  C8    109.65  3.000
 NFW  C26   C16  C8    131.43  3.000
 NFW  O34   C19  N30   122.53  3.000
 NFW  O34   C19  C10   119.72  3.000
 NFW  N30   C19  C10   117.72  3.000
 NFW  O36   C21  O33   126.41  3.000
 NFW  O36   C21  C28   117.84  3.000
 NFW  O33   C21  C28   115.75  3.000
 NFW  H222  C22  H221  108.28  3.000
 NFW  H222  C22  O38   110.36  3.000
 NFW  H221  C22  O38   106.87  3.000
 NFW  H222  C22  C23   110.03  3.000
 NFW  H221  C22  C23   110.35  3.000
 NFW  O38   C22  C23   110.87  3.000
 NFW  H23   C23  O39   108.74  3.000
 NFW  H23   C23  C29   109.95  3.000
 NFW  O39   C23  C29   108.30  3.000
 NFW  H23   C23  C22   108.68  3.000
 NFW  O39   C23  C22   108.93  3.000
 NFW  C29   C23  C22   112.19  3.000
 NFW  H242  C24  H241  106.23  3.000
 NFW  H242  C24  N31   107.74  3.000
 NFW  H241  C24  N31   110.34  3.000
 NFW  H242  C24  C12   110.58  3.000
 NFW  H241  C24  C12   107.74  3.000
 NFW  N31   C24  C12   113.95  3.000
 NFW  H252  C25  H251  106.65  3.000
 NFW  H252  C25  N31   109.74  3.000
 NFW  H251  C25  N31   107.45  3.000
 NFW  H252  C25  C13   107.38  3.000
 NFW  H251  C25  C13   110.17  3.000
 NFW  N31   C25  C13   115.15  3.000
 NFW  H262  C26  H261  107.75  3.000
 NFW  H262  C26  N30   106.60  3.000
 NFW  H261  C26  N30   109.95  3.000
 NFW  H262  C26  C16   108.64  3.000
 NFW  H261  C26  C16   109.93  3.000
 NFW  N30   C26  C16   113.74  3.000
 NFW  H273  C27  H272  107.32  3.000
 NFW  H273  C27  H271  107.89  3.000
 NFW  H272  C27  H271  108.15  3.000
 NFW  H273  C27  N31   110.07  3.000
 NFW  H272  C27  N31   109.89  3.000
 NFW  H271  C27  N31   113.31  3.000
 NFW  H292  C29  H291  106.19  3.000
 NFW  H292  C29  C28   109.48  3.000
 NFW  H291  C29  C28   110.57  3.000
 NFW  H292  C29  C23   107.62  3.000
 NFW  H291  C29  C23   109.09  3.000
 NFW  C28   C29  C23   113.59  3.000
 NFW  H30   N30  C26   118.42  3.000
 NFW  H30   N30  C19   120.44  3.000
 NFW  C26   N30  C19   121.13  3.000
 NFW  C27   N31  C25   112.57  3.000
 NFW  C27   N31  C24   112.11  3.000
 NFW  C25   N31  C24   107.47  3.000
 NFW  C16   O37  C9    107.80  3.000
 NFW  C22   O38  C15   114.12  3.000
 NFW  C23   O39  C14   115.97  3.000
 NFW  H282  C28  H281  105.13  3.000
 NFW  H282  C28  C29   109.57  3.000
 NFW  H281  C28  C29   110.39  3.000
 NFW  H282  C28  C21   108.06  3.000
 NFW  H281  C28  C21   108.16  3.000
 NFW  C29   C28  C21   115.04  3.000
 NFW  O35   C20  O32   128.48  3.000
 NFW  O35   C20  C11   115.58  3.000
 NFW  O32   C20  C11   115.94  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
 NFW  CONST_01  C12   C5   C2   C1      0.00   0.0  0
 NFW  CONST_02  C12   C10  C4   C1      0.00   0.0  0
 NFW  CONST_03  C10   C4   C1   C2      0.00   0.0  0
 NFW  CONST_04  C10   C12  C5   C2      0.00   0.0  0
 NFW  CONST_05  O37   C16  C8   C3      0.00   0.0  0
 NFW  CONST_06  C16   O37  C9   C3      0.00   0.0  0
 NFW  CONST_07  C5    C2   C1   C4      0.00   0.0  0
 NFW  CONST_08  C5    C12  C10  C4      0.00   0.0  0
 NFW  CONST_09  C15   C14  C7   C6      0.00   0.0  0
 NFW  CONST_10  C15   C11  C13  C6      0.00   0.0  0
 NFW  CONST_11  C11   C13  C6   C7      0.00   0.0  0
 NFW  CONST_12  C11   C15  C14  C7      0.00   0.0  0
 NFW  CONST_13  O37   C9   C3   C8      0.00   0.0  0
 NFW  CONST_14  C9    O37  C16  C8      0.00   0.0  0
 NFW  CONST_15  C16   C8   C3   C9      0.00   0.0  0
 NFW  CONST_16  C14   C7   C6   C13     0.00   0.0  0
 NFW  CONST_17  C14   C15  C11  C13     0.00   0.0  0
 NFW  CONST_18  C19   C10  C4   C1    180.00   0.0  0
 NFW  CONST_19  C24   C12  C5   C2    180.00   0.0  0
 NFW  CONST_20  C26   C16  C8   C3    180.00   0.0  0
 NFW  CONST_21  C24   C12  C10  C4    180.00   0.0  0
 NFW  CONST_22  C19   C10  C12  C5    180.00   0.0  0
 NFW  CONST_23  C20   C11  C13  C6    180.00   0.0  0
 NFW  CONST_24  C25   C13  C6   C7    180.00   0.0  0
 NFW  CONST_25  C26   C16  O37  C9    180.00   0.0  0
 NFW  CONST_26  C20   C11  C15  C14   180.00   0.0  0
 NFW  CONST_27  C25   C13  C11  C15   180.00   0.0  0
 NFW  CONST_28  O38   C15  C11  C20     0.00   0.0  0
 NFW  CONST_29  H5    C5   C2   C1    180.00   0.0  0
 NFW  CONST_30  H4    C4   C1   C2    180.00   0.0  0
 NFW  CONST_31  H2    C2   C1   C4    180.00   0.0  0
 NFW  CONST_32  H1    C1   C2   C5    180.00   0.0  0
 NFW  CONST_33  H9    C9   C3   C8    180.00   0.0  0
 NFW  CONST_34  H8    C8   C3   C9    180.00   0.0  0
 NFW  CONST_35  H6    C6   C13  C11   180.00   0.0  0
 NFW  CONST_36  H7    C7   C6   C13   180.00   0.0  0
 NFW  CONST_37  H3    C3   C8   C16   180.00   0.0  0
 NFW  CONST_38  C26   N30  C19  C10   180.00   0.0  0
 NFW  CONST_39  H30   N30  C19  C10     0.00   0.0  0
 NFW  CONST_40  O34   C19  N30  C26     0.00   0.0  0
 NFW  Var_01    C23   C22  O38  C15   -47.70  30.0  1
 NFW  Var_02    N30   C19  C10  C4    144.85  30.0  2
 NFW  Var_03    N31   C24  C12  C5   -102.35  30.0  2
 NFW  Var_04    N31   C25  C13  C6    111.22  30.0  2
 NFW  Var_05    N30   C26  C16  C8     79.25  30.0  2
 NFW  Var_06    O32   C20  C11  C13   105.83  30.0  2
 NFW  Var_07    C25   N31  C24  C12   178.81  30.0  3
 NFW  Var_08    C24   N31  C25  C13  -168.31  30.0  3
 NFW  Var_09    C19   N30  C26  C16    75.69  30.0  3
 NFW  Var_10    C23   C29  C28  C21  -177.37  30.0  3
 NFW  Var_11    O33   C21  C28  C29  -179.62  30.0  3
 NFW  Var_12    H271  C27  N31  C24    61.27  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
 NFW  chir_01  C23  C22  C29  O39  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
 NFW  plan-1  C3   0.020
 NFW  plan-1  C8   0.020
 NFW  plan-1  C9   0.020
 NFW  plan-1  C16  0.020
 NFW  plan-1  C26  0.020
 NFW  plan-1  O37  0.020
 NFW  plan-1  H3   0.020
 NFW  plan-1  H8   0.020
 NFW  plan-1  H9   0.020
 NFW  plan-2  C1   0.020
 NFW  plan-2  C2   0.020
 NFW  plan-2  C4   0.020
 NFW  plan-2  C5   0.020
 NFW  plan-2  C10  0.020
 NFW  plan-2  C12  0.020
 NFW  plan-2  C19  0.020
 NFW  plan-2  C24  0.020
 NFW  plan-2  H1   0.020
 NFW  plan-2  H2   0.020
 NFW  plan-2  H4   0.020
 NFW  plan-2  H5   0.020
 NFW  plan-3  C6   0.020
 NFW  plan-3  C7   0.020
 NFW  plan-3  C11  0.020
 NFW  plan-3  C13  0.020
 NFW  plan-3  C14  0.020
 NFW  plan-3  C15  0.020
 NFW  plan-3  C25  0.020
 NFW  plan-3  O38  0.020
 NFW  plan-3  O39  0.020
 NFW  plan-3  H6   0.020
 NFW  plan-3  H7   0.020
 NFW  plan-3  C20  0.020
 NFW  plan-4  C10  0.020
 NFW  plan-4  C19  0.020
 NFW  plan-4  C26  0.020
 NFW  plan-4  N30  0.020
 NFW  plan-4  O34  0.020
 NFW  plan-4  H30  0.020
 NFW  plan-5  C21  0.020
 NFW  plan-5  O33  0.020
 NFW  plan-5  O36  0.020
 NFW  plan-5  C28  0.020
 NFW  plan-6  C11  0.020
 NFW  plan-6  O32  0.020
 NFW  plan-6  O35  0.020
 NFW  plan-6  C20  0.020

