# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Mon Jun 15 05:16:50 2020
#   Inital geometry file: a 166 line input string
#   Ligand name: 4-{[4-(trifluoromethyl)benzyl][(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: NC(=O)c1ccc(cc1)[S](=O)(=O)N(Cc2ccc(cc2)C(F)(F)F)[C@H]3CNC[C@@H]3NCc4ccc(cc4)C(F)(F)F
#
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
 NK7  NK7  4-{[4-(trifluoromethyl)benzyl][(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide  ligand  67  41  .  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_NK7
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
 NK7  C1    C  CH1   0   0.033  -0.8194   1.5129   1.3120
 NK7  C2    C  CH1   0  -0.201  -1.4740   2.6582   0.4927
 NK7  C3    C  CH2   0  -0.282  -1.7947   3.7274   1.5405
 NK7  N4    N  NH1   0  -0.605  -1.9924   2.9568   2.7504
 NK7  C5    C  CH2   0  -0.314  -0.9038   1.9971   2.7676
 NK7  N6    N  NH1   0  -0.649   0.5533   1.2877   0.9027
 NK7  C7    C  CH2   0  -0.350   1.1400   0.1299   1.5387
 NK7  C8    C  CR6   0   0.110   2.5444  -0.1336   1.0676
 NK7  C9    C  CR16  0  -0.228   3.3491   0.8793   0.5507
 NK7  C10   C  CR16  0  -0.279   4.6480   0.6156   0.1370
 NK7  C11   C  CR6   0  -0.047   5.1642  -0.6688   0.2468
 NK7  C12   C  CR16  0  -0.318   4.3705  -1.6880   0.7647
 NK7  C13   C  CR16  0  -0.227   3.0735  -1.4193   1.1611
 NK7  C14   C  CR16  0  -0.278  -3.8335   0.1949   2.2015
 NK7  C15   C  CR16  0  -0.235  -3.9122  -1.1094   2.6613
 NK7  C16   C  CR6   0  -0.201  -4.2052  -2.1366   1.7759
 NK7  C17   C  CT    0   1.058  -4.3343  -3.5445   2.2659
 NK7  F18   F  F     0  -0.273  -5.6046  -3.8537   2.5759
 NK7  F19   F  F     0  -0.362  -3.9400  -4.4386   1.3509
 NK7  F20   F  F     0  -0.355  -3.6090  -3.7694   3.3672
 NK7  N21   N  N     0  -0.581  -2.6371   2.2156  -0.2809
 NK7  C22   C  CH2   0  -0.377  -3.9156   1.9159   0.3685
 NK7  C23   C  CR6   0   0.055  -4.0322   0.4923   0.8585
 NK7  C24   C  CR16  0  -0.249  -4.4377  -1.8519   0.4359
 NK7  C25   C  CR16  0  -0.229  -4.3502  -0.5457  -0.0150
 NK7  C26   C  C     0   0.496   2.3561  -1.1388  -2.9737
 NK7  S27   S  S     0   1.396  -2.5057   2.2904  -1.9104
 NK7  O28   O  OS    0  -0.678  -3.6809   1.6500  -2.4852
 NK7  O29   O  OS    0  -0.623  -2.1924   3.6445  -2.3464
 NK7  C30   C  CR6   0  -0.098  -1.0759   1.2933  -2.2648
 NK7  C31   C  CR16  0  -0.311  -1.0937  -0.0556  -1.9254
 NK7  C32   C  CR16  0  -0.178   0.0238  -0.8325  -2.1706
 NK7  C34   C  CR16  0  -0.173   1.1586   1.0875  -3.0834
 NK7  C35   C  CR16  0  -0.306   0.0344   1.8705  -2.8605
 NK7  N36   N  NH2   0  -0.750   3.5487  -0.5219  -2.9842
 NK7  O37   O  O     0  -0.523   2.2185  -2.3361  -3.1546
 NK7  C38   C  CT    0   1.028   6.5386  -0.9959  -0.2380
 NK7  F39   F  F     0  -0.270   7.2179  -1.7506   0.6356
 NK7  F40   F  F     0  -0.318   6.5012  -1.6946  -1.3892
 NK7  F41   F  F     0  -0.409   7.2770   0.0913  -0.4760
 NK7  C42   C  CR6   0  -0.082   1.1661  -0.2583  -2.7294
 NK7  H1    H  HCH1  0   0.193  -1.4286   0.6042   1.2011
 NK7  H2    H  HCH1  0   0.261  -0.7488   3.0802  -0.2055
 NK7  H3    H  HCH2  0   0.278  -0.9355   4.4112   1.6018
 NK7  H3A   H  HCH2  0   0.250  -2.6689   4.3307   1.2883
 NK7  HN4   H  HNH1  0   0.358  -1.9970   3.5389   3.5781
 NK7  H5    H  HCH2  0   0.252  -1.1109   1.1896   3.4717
 NK7  H5A   H  HCH2  0   0.184   0.0626   2.4483   3.0393
 NK7  HN6   H  HNH1  0   0.331   0.5844   1.1506  -0.0989
 NK7  H7    H  HCH2  0   0.268   1.1675   0.2989   2.6210
 NK7  H7A   H  HCH2  0   0.226   0.5411  -0.7836   1.3931
 NK7  H9    H  HCR6  0   0.269   2.9597   1.8852   0.4670
 NK7  H10   H  HCR6  0   0.247   5.2421   1.4261  -0.2637
 NK7  H12   H  HCR6  0   0.262   4.7470  -2.6994   0.8495
 NK7  H13   H  HCR6  0   0.200   2.4637  -2.2268   1.5471
 NK7  H14   H  HCR6  0   0.291  -3.5901   0.9933   2.8893
 NK7  H15   H  HCR6  0   0.271  -3.7435  -1.3063   3.7121
 NK7  H22   H  HCH2  0   0.319  -4.0202   2.5977   1.2106
 NK7  H22A  H  HCH2  0   0.293  -4.7325   2.1440  -0.3134
 NK7  H24   H  HCR6  0   0.268  -4.6789  -2.6378  -0.2681
 NK7  H25   H  HCR6  0   0.233  -4.5412  -0.3393  -1.0607
 NK7  H31   H  HCR6  0   0.335  -1.9625  -0.5005  -1.4658
 NK7  H32   H  HCR6  0   0.288   0.0141  -1.8824  -1.9100
 NK7  H34   H  HCR6  0   0.223   2.0159   1.5454  -3.5558
 NK7  H35   H  HCR6  0   0.267   0.0420   2.9148  -3.1376
 NK7  HN36  H  HNH2  0   0.390   4.3800  -1.0839  -3.0720
 NK7  HN3A  H  HNH2  0   0.430   3.6715   0.4024  -2.6080

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
 NK7  C1   C2    single    1.553  0.020  1.553
 NK7  C1   C5    single    1.536  0.020  1.536
 NK7  C1   N6    single    1.450  0.020  1.450
 NK7  C2   C3    single    1.531  0.020  1.531
 NK7  C2   N21   single    1.465  0.020  1.465
 NK7  C3   N4    single    1.448  0.020  1.448
 NK7  N4   C5    single    1.451  0.020  1.451
 NK7  N6   C7    single    1.445  0.020  1.445
 NK7  C7   C8    single    1.505  0.020  1.505
 NK7  C8   C9    aromatic  1.393  0.020  1.393
 NK7  C8   C13   aromatic  1.393  0.020  1.393
 NK7  C9   C10   aromatic  1.388  0.020  1.388
 NK7  C10  C11   aromatic  1.389  0.020  1.389
 NK7  C11  C12   aromatic  1.392  0.020  1.392
 NK7  C11  C38   single    1.494  0.020  1.494
 NK7  C12  C13   aromatic  1.383  0.020  1.383
 NK7  C14  C15   aromatic  1.385  0.020  1.385
 NK7  C14  C23   aromatic  1.390  0.020  1.390
 NK7  C15  C16   aromatic  1.387  0.020  1.387
 NK7  C16  C17   single    1.496  0.020  1.496
 NK7  C16  C24   aromatic  1.389  0.020  1.389
 NK7  C17  F18   single    1.344  0.020  1.344
 NK7  C17  F19   single    1.339  0.020  1.339
 NK7  C17  F20   single    1.338  0.020  1.338
 NK7  N21  C22   single    1.465  0.020  1.465
 NK7  N21  S27   single    1.636  0.020  1.636
 NK7  C22  C23   single    1.510  0.020  1.510
 NK7  C23  C25   aromatic  1.393  0.020  1.393
 NK7  C24  C25   aromatic  1.385  0.020  1.385
 NK7  C26  N36   single    1.343  0.020  1.343
 NK7  C26  O37   double    1.219  0.020  1.219
 NK7  C26  C42   single    1.500  0.020  1.500
 NK7  S27  O28   double    1.457  0.020  1.457
 NK7  S27  O29   double    1.457  0.020  1.457
 NK7  S27  C30   single    1.779  0.020  1.779
 NK7  C30  C31   aromatic  1.391  0.020  1.391
 NK7  C30  C35   aromatic  1.386  0.020  1.386
 NK7  C31  C32   aromatic  1.383  0.020  1.383
 NK7  C32  C42   aromatic  1.395  0.020  1.395
 NK7  C34  C35   aromatic  1.388  0.020  1.388
 NK7  C34  C42   aromatic  1.392  0.020  1.392
 NK7  C38  F39   single    1.339  0.020  1.339
 NK7  C38  F40   single    1.347  0.020  1.347
 NK7  C38  F41   single    1.336  0.020  1.336
 NK7  C1   H1    single    0.970  0.020  1.090
 NK7  C2   H2    single    0.970  0.020  1.090
 NK7  C3   H3    single    0.970  0.020  1.090
 NK7  C3   H3A   single    0.970  0.020  1.090
 NK7  N4   HN4   single    0.890  0.020  1.040
 NK7  C5   H5    single    0.970  0.020  1.090
 NK7  C5   H5A   single    0.970  0.020  1.090
 NK7  N6   HN6   single    0.890  0.020  1.040
 NK7  C7   H7    single    0.970  0.020  1.090
 NK7  C7   H7A   single    0.970  0.020  1.090
 NK7  C9   H9    single    0.930  0.020  1.080
 NK7  C10  H10   single    0.930  0.020  1.080
 NK7  C12  H12   single    0.930  0.020  1.080
 NK7  C13  H13   single    0.930  0.020  1.080
 NK7  C14  H14   single    0.930  0.020  1.080
 NK7  C15  H15   single    0.930  0.020  1.080
 NK7  C22  H22   single    0.970  0.020  1.090
 NK7  C22  H22A  single    0.970  0.020  1.090
 NK7  C24  H24   single    0.930  0.020  1.080
 NK7  C25  H25   single    0.930  0.020  1.080
 NK7  C31  H31   single    0.930  0.020  1.080
 NK7  C32  H32   single    0.930  0.020  1.080
 NK7  C34  H34   single    0.930  0.020  1.080
 NK7  C35  H35   single    0.930  0.020  1.080
 NK7  N36  HN36  single    0.890  0.020  1.040
 NK7  N36  HN3A  single    0.890  0.020  1.040

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
 NK7  H1    C1   N6    111.57  3.000
 NK7  H1    C1   C5    109.00  3.000
 NK7  N6    C1   C5    111.62  3.000
 NK7  H1    C1   C2    108.83  3.000
 NK7  N6    C1   C2    111.39  3.000
 NK7  C5    C1   C2    104.14  3.000
 NK7  H2    C2   N21   107.85  3.000
 NK7  H2    C2   C3    107.87  3.000
 NK7  N21   C2   C3    113.95  3.000
 NK7  H2    C2   C1    110.04  3.000
 NK7  N21   C2   C1    112.98  3.000
 NK7  C3    C2   C1    104.02  3.000
 NK7  H3A   C3   H3    107.15  3.000
 NK7  H3A   C3   N4    112.20  3.000
 NK7  H3    C3   N4    113.02  3.000
 NK7  H3A   C3   C2    113.30  3.000
 NK7  H3    C3   C2    107.98  3.000
 NK7  N4    C3   C2    103.23  3.000
 NK7  HN4   N4   C5    111.97  3.000
 NK7  HN4   N4   C3    112.20  3.000
 NK7  C5    N4   C3    105.03  3.000
 NK7  H5A   C5   H5    108.11  3.000
 NK7  H5A   C5   N4    112.98  3.000
 NK7  H5    C5   N4    110.77  3.000
 NK7  H5A   C5   C1    108.35  3.000
 NK7  H5    C5   C1    112.87  3.000
 NK7  N4    C5   C1    103.79  3.000
 NK7  HN6   N6   C7    108.34  3.000
 NK7  HN6   N6   C1    109.25  3.000
 NK7  C7    N6   C1    112.61  3.000
 NK7  H7A   C7   H7    105.79  3.000
 NK7  H7A   C7   C8    108.70  3.000
 NK7  H7    C7   C8    108.23  3.000
 NK7  H7A   C7   N6    112.66  3.000
 NK7  H7    C7   N6    108.74  3.000
 NK7  C8    C7   N6    112.42  3.000
 NK7  C13   C8   C9    118.45  3.000
 NK7  C13   C8   C7    119.67  3.000
 NK7  C9    C8   C7    121.87  3.000
 NK7  H9    C9   C10   119.36  3.000
 NK7  H9    C9   C8    119.79  3.000
 NK7  C10   C9   C8    120.85  3.000
 NK7  H10   C10  C11   121.21  3.000
 NK7  H10   C10  C9    118.80  3.000
 NK7  C11   C10  C9    119.99  3.000
 NK7  C38   C11  C12   119.02  3.000
 NK7  C38   C11  C10   121.26  3.000
 NK7  C12   C11  C10   119.66  3.000
 NK7  H12   C12  C13   119.04  3.000
 NK7  H12   C12  C11   121.00  3.000
 NK7  C13   C12  C11   119.95  3.000
 NK7  H13   C13  C12   119.04  3.000
 NK7  H13   C13  C8    119.87  3.000
 NK7  C12   C13  C8    121.08  3.000
 NK7  H14   C14  C23   119.26  3.000
 NK7  H14   C14  C15   119.78  3.000
 NK7  C23   C14  C15   120.94  3.000
 NK7  H15   C15  C16   121.18  3.000
 NK7  H15   C15  C14   119.00  3.000
 NK7  C16   C15  C14   119.82  3.000
 NK7  C24   C16  C17   119.61  3.000
 NK7  C24   C16  C15   119.94  3.000
 NK7  C17   C16  C15   120.39  3.000
 NK7  F20   C17  F19   106.90  3.000
 NK7  F20   C17  F18   106.49  3.000
 NK7  F19   C17  F18   106.41  3.000
 NK7  F20   C17  C16   112.39  3.000
 NK7  F19   C17  C16   112.29  3.000
 NK7  F18   C17  C16   111.94  3.000
 NK7  S27   N21  C22   121.39  3.000
 NK7  S27   N21  C2    116.62  3.000
 NK7  C22   N21  C2    121.37  3.000
 NK7  H22A  C22  H22   106.34  3.000
 NK7  H22A  C22  C23   110.06  3.000
 NK7  H22   C22  C23   109.40  3.000
 NK7  H22A  C22  N21   109.54  3.000
 NK7  H22   C22  N21   107.38  3.000
 NK7  C23   C22  N21   113.83  3.000
 NK7  C25   C23  C22   121.10  3.000
 NK7  C25   C23  C14   118.62  3.000
 NK7  C22   C23  C14   120.28  3.000
 NK7  H24   C24  C25   119.15  3.000
 NK7  H24   C24  C16   121.06  3.000
 NK7  C25   C24  C16   119.79  3.000
 NK7  H25   C25  C24   118.90  3.000
 NK7  H25   C25  C23   120.24  3.000
 NK7  C24   C25  C23   120.86  3.000
 NK7  C42   C26  O37   120.75  3.000
 NK7  C42   C26  N36   115.85  3.000
 NK7  O37   C26  N36   123.40  3.000
 NK7  C30   S27  O29   106.77  3.000
 NK7  C30   S27  O28   108.87  3.000
 NK7  O29   S27  O28   117.65  3.000
 NK7  C30   S27  N21   103.73  3.000
 NK7  O29   S27  N21   110.97  3.000
 NK7  O28   S27  N21   107.94  3.000
 NK7  C35   C30  C31   121.27  3.000
 NK7  C35   C30  S27   119.74  3.000
 NK7  C31   C30  S27   118.99  3.000
 NK7  H31   C31  C32   119.64  3.000
 NK7  H31   C31  C30   120.94  3.000
 NK7  C32   C31  C30   119.41  3.000
 NK7  H32   C32  C42   120.22  3.000
 NK7  H32   C32  C31   119.69  3.000
 NK7  C42   C32  C31   120.09  3.000
 NK7  H34   C34  C42   121.11  3.000
 NK7  H34   C34  C35   118.28  3.000
 NK7  C42   C34  C35   120.60  3.000
 NK7  H35   C35  C34   119.89  3.000
 NK7  H35   C35  C30   121.23  3.000
 NK7  C34   C35  C30   118.88  3.000
 NK7  HN3A  N36  HN36  116.41  3.000
 NK7  HN3A  N36  C26   121.86  3.000
 NK7  HN36  N36  C26   118.51  3.000
 NK7  F41   C38  F40   106.57  3.000
 NK7  F41   C38  F39   107.13  3.000
 NK7  F40   C38  F39   106.21  3.000
 NK7  F41   C38  C11   112.85  3.000
 NK7  F40   C38  C11   111.43  3.000
 NK7  F39   C38  C11   112.23  3.000
 NK7  C34   C42  C32   119.70  3.000
 NK7  C34   C42  C26   122.03  3.000
 NK7  C32   C42  C26   118.23  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
 NK7  CONST_01  C11   C10  C9   C8      0.00   0.0  0
 NK7  CONST_02  C11   C12  C13  C8      0.00   0.0  0
 NK7  CONST_03  C12   C13  C8   C9      0.00   0.0  0
 NK7  CONST_04  C12   C11  C10  C9      0.00   0.0  0
 NK7  CONST_05  C13   C8   C9   C10     0.00   0.0  0
 NK7  CONST_06  C13   C12  C11  C10     0.00   0.0  0
 NK7  CONST_07  C24   C16  C15  C14     0.00   0.0  0
 NK7  CONST_08  C24   C25  C23  C14     0.00   0.0  0
 NK7  CONST_09  C25   C23  C14  C15     0.00   0.0  0
 NK7  CONST_10  C25   C24  C16  C15     0.00   0.0  0
 NK7  CONST_11  C23   C14  C15  C16     0.00   0.0  0
 NK7  CONST_12  C23   C25  C24  C16     0.00   0.0  0
 NK7  CONST_13  C42   C32  C31  C30     0.00   0.0  0
 NK7  CONST_14  C42   C34  C35  C30     0.00   0.0  0
 NK7  CONST_15  C34   C35  C30  C31     0.00   0.0  0
 NK7  CONST_16  C34   C42  C32  C31     0.00   0.0  0
 NK7  CONST_17  C35   C30  C31  C32     0.00   0.0  0
 NK7  CONST_18  C35   C34  C42  C32     0.00   0.0  0
 NK7  CONST_19  C10   C9   C8   C7    180.00   0.0  0
 NK7  CONST_20  C12   C13  C8   C7    180.00   0.0  0
 NK7  CONST_21  C38   C11  C10  C9    180.00   0.0  0
 NK7  CONST_22  C38   C11  C12  C13   180.00   0.0  0
 NK7  CONST_23  C17   C16  C15  C14   180.00   0.0  0
 NK7  CONST_24  C22   C23  C14  C15   180.00   0.0  0
 NK7  CONST_25  C25   C24  C16  C17   180.00   0.0  0
 NK7  CONST_26  C24   C25  C23  C22   180.00   0.0  0
 NK7  CONST_27  C31   C32  C42  C26   180.00   0.0  0
 NK7  CONST_28  C35   C34  C42  C26   180.00   0.0  0
 NK7  CONST_29  C32   C31  C30  S27   180.00   0.0  0
 NK7  CONST_30  C34   C35  C30  S27   180.00   0.0  0
 NK7  CONST_31  H10   C10  C9   C8    180.00   0.0  0
 NK7  CONST_32  H12   C12  C13  C8    180.00   0.0  0
 NK7  CONST_33  H13   C13  C8   C9    180.00   0.0  0
 NK7  CONST_34  H9    C9   C10  C11   180.00   0.0  0
 NK7  CONST_35  H25   C25  C23  C14   180.00   0.0  0
 NK7  CONST_36  H24   C24  C16  C15   180.00   0.0  0
 NK7  CONST_37  H14   C14  C15  C16   180.00   0.0  0
 NK7  CONST_38  H15   C15  C14  C23   180.00   0.0  0
 NK7  CONST_39  H32   C32  C31  C30   180.00   0.0  0
 NK7  CONST_40  H34   C34  C35  C30   180.00   0.0  0
 NK7  CONST_41  H35   C35  C30  C31   180.00   0.0  0
 NK7  CONST_42  H31   C31  C30  C35   180.00   0.0  0
 NK7  CONST_43  HN36  N36  C26  C42   180.00   0.0  0
 NK7  Var_01    C3    N4   C5   C1    -42.34  30.0  1
 NK7  Var_02    C5    N4   C3   C2     44.54  30.0  1
 NK7  Var_03    C8    C7   N6   C1    177.59  30.0  3
 NK7  Var_04    C23   C22  N21  C2    -87.39  30.0  3
 NK7  Var_05    C30   S27  N21  C2     57.24  30.0  3
 NK7  Var_06    C9    C8   C7   N6     24.81  30.0  2
 NK7  Var_07    F39   C38  C11  C10   135.56  30.0  2
 NK7  Var_08    N21   C22  C23  C14   100.47  30.0  2
 NK7  Var_09    F18   C17  C16  C15    92.41  30.0  2
 NK7  Var_10    C31   C30  S27  N21    61.67  30.0  2
 NK7  Var_11    N36   C26  C42  C32  -154.07  30.0  2

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
 NK7  chir_01  C1  C2   C5  N6  positiv
 NK7  chir_02  C2  N21  C1  C3  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
 NK7  plan-1  C7    0.020
 NK7  plan-1  C8    0.020
 NK7  plan-1  C9    0.020
 NK7  plan-1  C10   0.020
 NK7  plan-1  C11   0.020
 NK7  plan-1  C12   0.020
 NK7  plan-1  C13   0.020
 NK7  plan-1  C38   0.020
 NK7  plan-1  H9    0.020
 NK7  plan-1  H10   0.020
 NK7  plan-1  H12   0.020
 NK7  plan-1  H13   0.020
 NK7  plan-2  C14   0.020
 NK7  plan-2  C15   0.020
 NK7  plan-2  C16   0.020
 NK7  plan-2  C17   0.020
 NK7  plan-2  C22   0.020
 NK7  plan-2  C23   0.020
 NK7  plan-2  C24   0.020
 NK7  plan-2  C25   0.020
 NK7  plan-2  H14   0.020
 NK7  plan-2  H15   0.020
 NK7  plan-2  H24   0.020
 NK7  plan-2  H25   0.020
 NK7  plan-3  C26   0.020
 NK7  plan-3  S27   0.020
 NK7  plan-3  C30   0.020
 NK7  plan-3  C31   0.020
 NK7  plan-3  C32   0.020
 NK7  plan-3  C34   0.020
 NK7  plan-3  C35   0.020
 NK7  plan-3  C42   0.020
 NK7  plan-3  H31   0.020
 NK7  plan-3  H32   0.020
 NK7  plan-3  H34   0.020
 NK7  plan-3  H35   0.020
 NK7  plan-4  C26   0.020
 NK7  plan-4  N36   0.020
 NK7  plan-4  O37   0.020
 NK7  plan-4  C42   0.020
 NK7  plan-4  HN36  0.020
 NK7  plan-4  HN3A  0.020

