# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Apr 26 04:38:51 2020
#   Inital geometry file: a 149 line input string
#   Ligand name: N-[(2S)-1-{[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@@H](CNc1cccc2n(ncc12)c3ccc(F)cc3)N[S](=O)(=O)c4c(C)cc(C)cc4C
#
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
 NN7  NN7  N-[(2S)-1-{[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}propan-2-yl]-2,4,6-trimethylbenzenesulfonamide  ligand  60  33  .  2021-08-15  2022-09-16
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_NN7
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
 NN7  C1    C  CH3   0  -0.659   4.7788   3.2151   0.4350
 NN7  C2    C  CH1   0  -0.118   3.5773   2.2891   0.5613
 NN7  C4    C  CH2   0  -0.279   2.4270   2.9897   1.2872
 NN7  N5    N  NH1   0  -0.702   1.2894   2.1510   1.5308
 NN7  C6    C  CR6   0   0.390   0.1804   2.0598   0.7519
 NN7  C7    C  CR16  0  -0.389  -0.1151   2.9084  -0.3140
 NN7  C8    C  CR16  0  -0.248  -1.2931   2.7573  -1.0569
 NN7  C9    C  CR16  0  -0.349  -2.2384   1.7855  -0.8010
 NN7  C10   C  CR56  0   0.445  -1.9537   0.9415   0.2786
 NN7  N11   N  NR5   0  -0.520  -2.6256  -0.1262   0.8055
 NN7  N12   N  N     0  -0.250  -1.9579  -0.6773   1.8395
 NN7  C13   C  CR15  0  -0.068  -0.8652   0.0175   1.9935
 NN7  C14   C  CR56  0  -0.212  -0.7841   1.0655   1.0412
 NN7  C15   C  CR6   0   0.332  -3.8401  -0.6917   0.3832
 NN7  C16   C  CR16  0  -0.277  -3.9767  -2.0764   0.3490
 NN7  C17   C  CR16  0  -0.407  -5.1722  -2.6486  -0.0530
 NN7  C18   C  CR6   0   0.526  -6.2132  -1.8223  -0.4327
 NN7  F19   F  F     0  -0.313  -7.3695  -2.3741  -0.8312
 NN7  C20   C  CR16  0  -0.409  -6.0998  -0.4466  -0.4097
 NN7  C21   C  CR16  0  -0.290  -4.9069   0.1199   0.0136
 NN7  N22   N  NC1   0  -0.720   3.1210   1.7880  -0.7337
 NN7  S23   S  S     0   1.354   3.7181   0.3545  -1.2941
 NN7  O24   O  OS    0  -0.662   3.4155   0.3159  -2.7179
 NN7  O25   O  OS    0  -0.643   5.1166   0.1790  -0.9252
 NN7  C26   C  CR6   0  -0.360   2.7208  -0.8377  -0.4176
 NN7  C27   C  CR6   0   0.181   3.2460  -1.5870   0.6495
 NN7  C28   C  CH3   0  -0.722   4.6500  -1.5223   1.1949
 NN7  C29   C  CR16  0  -0.392   2.3927  -2.4910   1.2817
 NN7  C30   C  CR6   0   0.168   1.0768  -2.6805   0.8939
 NN7  C31   C  CH3   0  -0.738   0.1868  -3.6598   1.5955
 NN7  C32   C  CR16  0  -0.360   0.5966  -1.9205  -0.1631
 NN7  C33   C  CR6   0   0.214   1.3796  -0.9877  -0.8270
 NN7  C34   C  CH3   0  -0.733   0.7157  -0.2073  -1.9262
 NN7  H11C  H  HCH3  0   0.230   4.5253   4.0952  -0.1595
 NN7  H12C  H  HCH3  0   0.237   5.1073   3.5578   1.4164
 NN7  H13C  H  HCH3  0   0.248   5.6140   2.7074  -0.0433
 NN7  H2    H  HCH1  0   0.257   3.8580   1.4239   1.1688
 NN7  H41C  H  HCH2  0   0.263   2.8092   3.3455   2.2468
 NN7  H42C  H  HCH2  0   0.248   2.1243   3.8806   0.7367
 NN7  H22   H  HNC1  0   0.407   3.0777   2.4844  -1.4713
 NN7  H5    H  HNH1  0   0.385   1.4229   1.4279   2.2172
 NN7  H7    H  HCR6  0   0.253   0.5754   3.6867  -0.6071
 NN7  H8    H  HCR6  0   0.253  -1.4571   3.4386  -1.8826
 NN7  H9    H  HCR6  0   0.261  -3.1248   1.6891  -1.4105
 NN7  H13   H  HCR5  0   0.266  -0.1680  -0.2459   2.7751
 NN7  H16   H  HCR6  0   0.282  -3.1486  -2.7106   0.6350
 NN7  H21   H  HCR6  0   0.289  -4.8243   1.1967   0.0698
 NN7  H17   H  HCR6  0   0.287  -5.2854  -3.7242  -0.0805
 NN7  H20   H  HCR6  0   0.288  -6.9330   0.1802  -0.6984
 NN7  H281  H  HCH3  0   0.248   4.9463  -0.5218   1.5038
 NN7  H282  H  HCH3  0   0.246   4.7169  -2.1663   2.0698
 NN7  H283  H  HCH3  0   0.255   5.3858  -1.8706   0.4731
 NN7  H29   H  HCR6  0   0.250   2.7836  -3.0631   2.1149
 NN7  H311  H  HCH3  0   0.253  -0.7742  -3.2033   1.8365
 NN7  H312  H  HCH3  0   0.254  -0.0153  -4.5275   0.9648
 NN7  H313  H  HCH3  0   0.248   0.6344  -4.0182   2.5211
 NN7  H32   H  HCR6  0   0.244  -0.4351  -2.0399  -0.4739
 NN7  H341  H  HCH3  0   0.257   1.0404  -0.5370  -2.9113
 NN7  H342  H  HCH3  0   0.244  -0.3613  -0.3464  -1.8639
 NN7  H343  H  HCH3  0   0.261   0.9026   0.8606  -1.8475

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
 NN7  C1   C2    single    1.522  0.020  1.522
 NN7  C2   C4    single    1.530  0.020  1.530
 NN7  C2   N22   single    1.462  0.020  1.462
 NN7  C4   N5    single    1.434  0.020  1.434
 NN7  N5   C6    single    1.358  0.020  1.358
 NN7  C6   C7    aromatic  1.394  0.020  1.394
 NN7  C6   C14   aromatic  1.415  0.020  1.415
 NN7  C7   C8    aromatic  1.401  0.020  1.401
 NN7  C8   C9    aromatic  1.380  0.020  1.380
 NN7  C9   C10   aromatic  1.400  0.020  1.400
 NN7  C10  N11   aromatic  1.367  0.020  1.367
 NN7  C10  C14   aromatic  1.402  0.020  1.402
 NN7  N11  N12   aromatic  1.349  0.020  1.349
 NN7  N11  C15   single    1.405  0.020  1.405
 NN7  N12  C13   aromatic  1.304  0.020  1.304
 NN7  C13  C14   aromatic  1.418  0.020  1.418
 NN7  C15  C16   aromatic  1.392  0.020  1.392
 NN7  C15  C21   aromatic  1.391  0.020  1.391
 NN7  C16  C17   aromatic  1.385  0.020  1.385
 NN7  C17  C18   aromatic  1.382  0.020  1.382
 NN7  C18  F19   single    1.342  0.020  1.342
 NN7  C18  C20   aromatic  1.381  0.020  1.381
 NN7  C20  C21   aromatic  1.387  0.020  1.387
 NN7  N22  S23   single    1.651  0.020  1.651
 NN7  S23  O24   double    1.456  0.020  1.456
 NN7  S23  O25   double    1.457  0.020  1.457
 NN7  S23  C26   single    1.784  0.020  1.784
 NN7  C26  C27   aromatic  1.406  0.020  1.406
 NN7  C26  C33   aromatic  1.410  0.020  1.410
 NN7  C27  C28   single    1.508  0.020  1.508
 NN7  C27  C29   aromatic  1.395  0.020  1.395
 NN7  C29  C30   aromatic  1.385  0.020  1.385
 NN7  C30  C31   single    1.498  0.020  1.498
 NN7  C30  C32   aromatic  1.388  0.020  1.388
 NN7  C32  C33   aromatic  1.387  0.020  1.387
 NN7  C33  C34   single    1.503  0.020  1.503
 NN7  C1   H11C  single    0.970  0.020  1.090
 NN7  C1   H12C  single    0.970  0.020  1.090
 NN7  C1   H13C  single    0.970  0.020  1.090
 NN7  C2   H2    single    0.970  0.020  1.090
 NN7  C4   H41C  single    0.970  0.020  1.090
 NN7  C4   H42C  single    0.970  0.020  1.090
 NN7  N22  H22   single    0.890  0.020  1.040
 NN7  N5   H5    single    0.860  0.020  1.020
 NN7  C7   H7    single    0.930  0.020  1.080
 NN7  C8   H8    single    0.930  0.020  1.080
 NN7  C9   H9    single    0.930  0.020  1.080
 NN7  C13  H13   single    0.930  0.020  1.080
 NN7  C16  H16   single    0.930  0.020  1.080
 NN7  C21  H21   single    0.930  0.020  1.080
 NN7  C17  H17   single    0.930  0.020  1.080
 NN7  C20  H20   single    0.930  0.020  1.080
 NN7  C28  H281  single    0.970  0.020  1.090
 NN7  C28  H282  single    0.970  0.020  1.090
 NN7  C28  H283  single    0.970  0.020  1.090
 NN7  C29  H29   single    0.930  0.020  1.080
 NN7  C31  H311  single    0.970  0.020  1.090
 NN7  C31  H312  single    0.970  0.020  1.090
 NN7  C31  H313  single    0.970  0.020  1.090
 NN7  C32  H32   single    0.930  0.020  1.080
 NN7  C34  H341  single    0.970  0.020  1.090
 NN7  C34  H342  single    0.970  0.020  1.090
 NN7  C34  H343  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
 NN7  H13C  C1   H12C  108.13  3.000
 NN7  H13C  C1   H11C  108.36  3.000
 NN7  H12C  C1   H11C  107.86  3.000
 NN7  H13C  C1   C2    111.00  3.000
 NN7  H12C  C1   C2    110.76  3.000
 NN7  H11C  C1   C2    110.63  3.000
 NN7  H2    C2   N22   107.52  3.000
 NN7  H2    C2   C4    106.96  3.000
 NN7  N22   C2   C4    110.04  3.000
 NN7  H2    C2   C1    108.95  3.000
 NN7  N22   C2   C1    112.43  3.000
 NN7  C4    C2   C1    110.75  3.000
 NN7  H42C  C4   H41C  105.94  3.000
 NN7  H42C  C4   N5    110.08  3.000
 NN7  H41C  C4   N5    108.58  3.000
 NN7  H42C  C4   C2    110.09  3.000
 NN7  H41C  C4   C2    107.63  3.000
 NN7  N5    C4   C2    114.15  3.000
 NN7  H5    N5   C6    116.84  3.000
 NN7  H5    N5   C4    115.53  3.000
 NN7  C6    N5   C4    126.12  3.000
 NN7  C14   C6   C7    116.07  3.000
 NN7  C14   C6   N5    119.11  3.000
 NN7  C7    C6   N5    124.79  3.000
 NN7  H7    C7   C8    118.10  3.000
 NN7  H7    C7   C6    120.68  3.000
 NN7  C8    C7   C6    121.20  3.000
 NN7  H8    C8   C9    118.74  3.000
 NN7  H8    C8   C7    117.63  3.000
 NN7  C9    C8   C7    123.63  3.000
 NN7  H9    C9   C10   123.26  3.000
 NN7  H9    C9   C8    121.37  3.000
 NN7  C10   C9   C8    115.37  3.000
 NN7  C14   C10  N11   105.63  3.000
 NN7  C14   C10  C9    122.41  3.000
 NN7  N11   C10  C9    131.93  3.000
 NN7  C15   N11  N12   119.61  3.000
 NN7  C15   N11  C10   128.57  3.000
 NN7  N12   N11  C10   111.80  3.000
 NN7  C13   N12  N11   106.72  3.000
 NN7  H13   C13  C14   128.99  3.000
 NN7  H13   C13  N12   119.77  3.000
 NN7  C14   C13  N12   111.24  3.000
 NN7  C13   C14  C10   104.61  3.000
 NN7  C13   C14  C6    134.06  3.000
 NN7  C10   C14  C6    121.31  3.000
 NN7  C21   C15  C16   119.92  3.000
 NN7  C21   C15  N11   120.55  3.000
 NN7  C16   C15  N11   119.53  3.000
 NN7  H16   C16  C17   119.69  3.000
 NN7  H16   C16  C15   120.11  3.000
 NN7  C17   C16  C15   120.19  3.000
 NN7  H17   C17  C18   120.57  3.000
 NN7  H17   C17  C16   120.56  3.000
 NN7  C18   C17  C16   118.87  3.000
 NN7  C20   C18  F19   119.04  3.000
 NN7  C20   C18  C17   121.96  3.000
 NN7  F19   C18  C17   119.00  3.000
 NN7  H20   C20  C21   120.48  3.000
 NN7  H20   C20  C18   120.64  3.000
 NN7  C21   C20  C18   118.86  3.000
 NN7  H21   C21  C20   119.23  3.000
 NN7  H21   C21  C15   120.58  3.000
 NN7  C20   C21  C15   120.18  3.000
 NN7  H22   N22  S23   111.37  3.000
 NN7  H22   N22  C2    114.95  3.000
 NN7  S23   N22  C2    119.05  3.000
 NN7  C26   S23  O25   109.37  3.000
 NN7  C26   S23  O24   110.27  3.000
 NN7  O25   S23  O24   116.35  3.000
 NN7  C26   S23  N22   102.20  3.000
 NN7  O25   S23  N22   111.45  3.000
 NN7  O24   S23  N22   106.25  3.000
 NN7  C33   C26  C27   121.26  3.000
 NN7  C33   C26  S23   117.39  3.000
 NN7  C27   C26  S23   121.35  3.000
 NN7  C29   C27  C28   115.70  3.000
 NN7  C29   C27  C26   117.45  3.000
 NN7  C28   C27  C26   126.85  3.000
 NN7  H283  C28  H282  107.59  3.000
 NN7  H283  C28  H281  107.37  3.000
 NN7  H282  C28  H281  107.40  3.000
 NN7  H283  C28  C27   112.09  3.000
 NN7  H282  C28  C27   108.82  3.000
 NN7  H281  C28  C27   113.31  3.000
 NN7  H29   C29  C30   119.07  3.000
 NN7  H29   C29  C27   118.03  3.000
 NN7  C30   C29  C27   122.90  3.000
 NN7  C32   C30  C31   120.61  3.000
 NN7  C32   C30  C29   117.85  3.000
 NN7  C31   C30  C29   121.53  3.000
 NN7  H313  C31  H312  107.80  3.000
 NN7  H313  C31  H311  108.18  3.000
 NN7  H312  C31  H311  107.30  3.000
 NN7  H313  C31  C30   111.66  3.000
 NN7  H312  C31  C30   111.05  3.000
 NN7  H311  C31  C30   110.69  3.000
 NN7  H32   C32  C33   118.30  3.000
 NN7  H32   C32  C30   119.17  3.000
 NN7  C33   C32  C30   122.52  3.000
 NN7  C34   C33  C32   116.75  3.000
 NN7  C34   C33  C26   125.26  3.000
 NN7  C32   C33  C26   118.00  3.000
 NN7  H343  C34  H342  106.96  3.000
 NN7  H343  C34  H341  108.17  3.000
 NN7  H342  C34  H341  107.96  3.000
 NN7  H343  C34  C33   112.42  3.000
 NN7  H342  C34  C33   109.21  3.000
 NN7  H341  C34  C33   111.90  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
 NN7  CONST_01  C9    C8   C7   C6      0.00   0.0  0
 NN7  CONST_02  C9    C10  C14  C6      0.00   0.0  0
 NN7  CONST_03  N11   C10  C14  C6    180.00   0.0  0
 NN7  CONST_04  N12   C13  C14  C6    180.00   0.0  0
 NN7  CONST_05  C10   C14  C6   C7      0.00   0.0  0
 NN7  CONST_06  C13   C14  C6   C7    180.00   0.0  0
 NN7  CONST_07  C10   C9   C8   C7      0.00   0.0  0
 NN7  CONST_08  C14   C6   C7   C8      0.00   0.0  0
 NN7  CONST_09  N11   C10  C9   C8    180.00   0.0  0
 NN7  CONST_10  C14   C10  C9   C8      0.00   0.0  0
 NN7  CONST_11  N12   N11  C10  C9    180.00   0.0  0
 NN7  CONST_12  C15   N11  C10  C9      0.00   0.0  0
 NN7  CONST_13  C13   C14  C10  C9    180.00   0.0  0
 NN7  CONST_14  C13   N12  N11  C10     0.00   0.0  0
 NN7  CONST_17  N12   C13  C14  C10     0.00   0.0  0
 NN7  CONST_18  C13   C14  C10  N11     0.00   0.0  0
 NN7  CONST_19  C14   C13  N12  N11     0.00   0.0  0
 NN7  CONST_20  C17   C16  C15  N11   180.00   0.0  0
 NN7  CONST_21  C20   C21  C15  N11   180.00   0.0  0
 NN7  CONST_22  C14   C10  N11  N12     0.00   0.0  0
 NN7  CONST_25  C15   N11  N12  C13   180.00   0.0  0
 NN7  CONST_26  C15   N11  C10  C14   180.00   0.0  0
 NN7  CONST_27  C18   C17  C16  C15     0.00   0.0  0
 NN7  CONST_28  C18   C20  C21  C15     0.00   0.0  0
 NN7  CONST_29  C20   C21  C15  C16     0.00   0.0  0
 NN7  CONST_30  C20   C18  C17  C16     0.00   0.0  0
 NN7  CONST_31  C21   C15  C16  C17     0.00   0.0  0
 NN7  CONST_32  C21   C20  C18  C17     0.00   0.0  0
 NN7  CONST_33  C30   C29  C27  C26     0.00   0.0  0
 NN7  CONST_34  C30   C32  C33  C26     0.00   0.0  0
 NN7  CONST_35  C32   C33  C26  C27     0.00   0.0  0
 NN7  CONST_36  C32   C30  C29  C27     0.00   0.0  0
 NN7  CONST_37  C33   C26  C27  C29     0.00   0.0  0
 NN7  CONST_38  C33   C32  C30  C29     0.00   0.0  0
 NN7  CONST_39  C8    C7   C6   N5    180.00   0.0  0
 NN7  CONST_40  C10   C14  C6   N5    180.00   0.0  0
 NN7  CONST_41  C13   C14  C6   N5      0.00   0.0  0
 NN7  CONST_42  F19   C18  C17  C16   180.00   0.0  0
 NN7  CONST_43  C21   C20  C18  F19   180.00   0.0  0
 NN7  CONST_44  C29   C27  C26  S23   180.00   0.0  0
 NN7  CONST_45  C32   C33  C26  S23   180.00   0.0  0
 NN7  CONST_46  C34   C33  C26  C27   180.00   0.0  0
 NN7  CONST_47  C31   C30  C29  C27   180.00   0.0  0
 NN7  CONST_48  C33   C26  C27  C28   180.00   0.0  0
 NN7  CONST_49  C30   C29  C27  C28   180.00   0.0  0
 NN7  CONST_50  C34   C33  C32  C30   180.00   0.0  0
 NN7  CONST_51  C33   C32  C30  C31   180.00   0.0  0
 NN7  CONST_52  H8    C8   C7   C6    180.00   0.0  0
 NN7  CONST_53  H13   C13  C14  C6      0.00   0.0  0
 NN7  CONST_54  H9    C9   C8   C7    180.00   0.0  0
 NN7  CONST_55  H7    C7   C8   C9    180.00   0.0  0
 NN7  CONST_56  H16   C16  C15  N11     0.00   0.0  0
 NN7  CONST_57  H21   C21  C15  N11     0.00   0.0  0
 NN7  CONST_58  H17   C17  C16  C15   180.00   0.0  0
 NN7  CONST_59  H20   C20  C21  C15   180.00   0.0  0
 NN7  CONST_60  H29   C29  C27  C26   180.00   0.0  0
 NN7  CONST_61  H32   C32  C33  C26   180.00   0.0  0
 NN7  CONST_62  C7    C6   N5   C4      0.00   0.0  0
 NN7  CONST_63  C14   C6   N5   C4    180.00   0.0  0
 NN7  CONST_64  H5    N5   C6   C7    180.00   0.0  0
 NN7  Var_01    C27   C26  S23  N22  -106.02  30.0  2
 NN7  Var_02    H281  C28  C27  C26    56.08  30.0  2
 NN7  Var_03    H341  C34  C33  C26    74.38  30.0  2
 NN7  Var_04    H311  C31  C30  C29   131.96  30.0  2
 NN7  Var_05    C6    N5   C4   C2    -95.44  30.0  3
 NN7  Var_06    C26   S23  N22  C2     80.96  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
 NN7  chir_01  C2  C1  C4  N22  negativ

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
 NN7  plan-1  N11  0.020
 NN7  plan-1  C15  0.020
 NN7  plan-1  C16  0.020
 NN7  plan-1  C17  0.020
 NN7  plan-1  C18  0.020
 NN7  plan-1  F19  0.020
 NN7  plan-1  C20  0.020
 NN7  plan-1  C21  0.020
 NN7  plan-1  H16  0.020
 NN7  plan-1  H21  0.020
 NN7  plan-1  H17  0.020
 NN7  plan-1  H20  0.020
 NN7  plan-2  S23  0.020
 NN7  plan-2  C26  0.020
 NN7  plan-2  C27  0.020
 NN7  plan-2  C28  0.020
 NN7  plan-2  C29  0.020
 NN7  plan-2  C30  0.020
 NN7  plan-2  C31  0.020
 NN7  plan-2  C32  0.020
 NN7  plan-2  C33  0.020
 NN7  plan-2  C34  0.020
 NN7  plan-2  H29  0.020
 NN7  plan-2  H32  0.020
 NN7  plan-3  N5   0.020
 NN7  plan-3  C6   0.020
 NN7  plan-3  C7   0.020
 NN7  plan-3  C8   0.020
 NN7  plan-3  C9   0.020
 NN7  plan-3  C10  0.020
 NN7  plan-3  N11  0.020
 NN7  plan-3  N12  0.020
 NN7  plan-3  C13  0.020
 NN7  plan-3  C14  0.020
 NN7  plan-3  C15  0.020
 NN7  plan-3  H7   0.020
 NN7  plan-3  H8   0.020
 NN7  plan-3  H9   0.020
 NN7  plan-3  H13  0.020
 NN7  plan-4  C4   0.020
 NN7  plan-4  N5   0.020
 NN7  plan-4  C6   0.020
 NN7  plan-4  H5   0.020

