# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Apr  4 02:36:29 2020
#   Inital geometry file: a 166 line input string
#   Ligand name: 3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN(C)CCCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(Nc3nccc(n3)c4cccnc4)cc2
#
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
 0F0  0F0  3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide  ligand  66  37  .  2021-08-03  2021-08-03  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_0F0
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
 0F0  C01  C  CR16  0  -0.096  -10.4028   1.0113   0.7949
 0F0  N02  N  N     0  -0.398  -11.5516   1.4122   0.2697
 0F0  C03  C  CR16  0  -0.060  -11.6762   1.3845  -1.0520
 0F0  C04  C  CR16  0  -0.313  -10.6605   0.9680  -1.9007
 0F0  C05  C  CR16  0  -0.161   -9.4623   0.5576  -1.3457
 0F0  C06  C  CR6   0  -0.045   -9.3187   0.5655   0.0403
 0F0  C07  C  CR6   0   0.297   -8.0601   0.1272   0.6736
 0F0  N08  N  N     0  -0.497   -6.9886   0.0938  -0.1022
 0F0  C09  C  CR16  0  -0.400   -7.9877  -0.2503   2.0157
 0F0  C10  C  CR16  0   0.009   -6.7448  -0.6399   2.4723
 0F0  N11  N  N     0  -0.465   -5.6628  -0.6734   1.7066
 0F0  C12  C  CR6   0   0.606   -5.8360  -0.3064   0.4406
 0F0  N13  N  NH1   0  -0.771   -4.7872  -0.3114  -0.4240
 0F0  C14  C  CR6   0   0.355   -3.4498  -0.6536  -0.2539
 0F0  C15  C  CR16  0  -0.301   -2.8984  -1.2149   0.8992
 0F0  C16  C  CR16  0  -0.332   -1.5479  -1.5202   0.9432
 0F0  C17  C  CR16  0  -0.350   -2.6022  -0.4285  -1.3427
 0F0  C18  C  CR16  0  -0.290   -1.2569  -0.7426  -1.2990
 0F0  C19  C  CR6   0   0.358   -0.7067  -1.2932  -0.1419
 0F0  N20  N  NH1   0  -0.755    0.6372  -1.6757  -0.0233
 0F0  C21  C  C     0   0.522    1.7033  -1.1546  -0.6773
 0F0  O22  O  O     0  -0.464    1.6273  -0.2320  -1.4712
 0F0  C23  C  CR6   0  -0.027    3.0141  -1.7957  -0.3494
 0F0  C24  C  CR16  0  -0.318    3.1133  -3.1401  -0.0087
 0F0  C25  C  CR16  0  -0.230    4.3651  -3.6802   0.2504
 0F0  C26  C  CR16  0  -0.343    5.4977  -2.8924   0.1798
 0F0  C27  C  CR6   0   0.397    5.4061  -1.5404  -0.1672
 0F0  C28  C  CR16  0  -0.346    4.1528  -0.9986  -0.4435
 0F0  N29  N  NH1   0  -0.754    6.6020  -0.8225  -0.2136
 0F0  C30  C  C     0   0.563    6.8178   0.4834  -0.5288
 0F0  O31  O  O     0  -0.466    5.9285   1.2676  -0.8047
 0F0  C32  C  CH2   0  -0.591    8.2796   0.8731  -0.5340
 0F0  C33  C  CH2   0  -0.442    8.5110   2.3294  -0.1563
 0F0  C34  C  CH2   0  -0.251    9.9946   2.6698  -0.2031
 0F0  N35  N  NT    0  -0.408   10.2770   4.0641   0.0849
 0F0  C36  C  CH3   0  -0.527   10.0027   4.4162   1.4615
 0F0  C37  C  CH3   0  -0.519   11.6408   4.3991  -0.2634
 0F0  H1   H  HCR6  0   0.265  -10.3368   1.0635   1.8761
 0F0  H2   H  HCR6  0   0.272  -12.6275   1.7108  -1.4564
 0F0  H3   H  HCR6  0   0.277  -10.8099   0.9664  -2.9714
 0F0  H4   H  HCR6  0   0.274   -8.6465   0.2266  -1.9739
 0F0  H5   H  HCR6  0   0.275   -8.8436  -0.2617   2.6723
 0F0  H6   H  HCR6  0   0.278   -6.6122  -0.9458   3.5039
 0F0  H7   H  HNH1  0   0.409   -5.0369   0.0048  -1.3490
 0F0  H8   H  HCR6  0   0.287   -3.5126  -1.4093   1.7629
 0F0  H9   H  HCR6  0   0.269   -1.1456  -1.9498   1.8532
 0F0  H10  H  HCR6  0   0.271   -3.0039  -0.0018  -2.2543
 0F0  H11  H  HCR6  0   0.275   -0.6546  -0.5610  -2.1749
 0F0  H12  H  HNH1  0   0.419    0.8341  -2.3144   0.7321
 0F0  H13  H  HCR6  0   0.266    2.2404  -3.7787   0.0283
 0F0  H14  H  HCR6  0   0.270    4.4604  -4.7273   0.5042
 0F0  H15  H  HCR6  0   0.278    6.4664  -3.3287   0.3923
 0F0  H16  H  HCR6  0   0.285    4.0496   0.0371  -0.7202
 0F0  H17  H  HNH1  0   0.417    7.4260  -1.3617   0.0060
 0F0  H18  H  HCH2  0   0.260    8.8493   0.2162   0.1280
 0F0  H19  H  HCH2  0   0.280    8.6588   0.6845  -1.5447
 0F0  H20  H  HCH2  0   0.232    7.9734   2.9869  -0.8415
 0F0  H21  H  HCH2  0   0.185   10.5492   1.9960   0.4749
 0F0  H22  H  HCH2  0   0.227   10.3640   2.4580  -1.2112
 0F0  H24  H  HCH3  0   0.189   10.6010   3.8381   2.1844
 0F0  H25  H  HCH3  0   0.233   10.2218   5.4726   1.6216
 0F0  H26  H  HCH3  0   0.236    8.9515   4.2647   1.7049
 0F0  H27  H  HCH3  0   0.232   11.8202   4.1945  -1.3198
 0F0  H28  H  HCH3  0   0.231   11.8182   5.4625  -0.0958
 0F0  H29  H  HCH3  0   0.189   12.3916   3.8408   0.3183
 0F0  H30  H  HCH2  0   0.236    8.1053   2.5081   0.8421

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
 0F0  O22  C21  double    1.219  0.020  1.219
 0F0  C24  C25  aromatic  1.388  0.020  1.388
 0F0  C24  C23  aromatic  1.390  0.020  1.390
 0F0  C25  C26  aromatic  1.381  0.020  1.381
 0F0  C21  C23  single    1.496  0.020  1.496
 0F0  C21  N20  single    1.355  0.020  1.355
 0F0  C23  C28  aromatic  1.393  0.020  1.393
 0F0  C26  C27  aromatic  1.399  0.020  1.399
 0F0  C16  C15  aromatic  1.385  0.020  1.385
 0F0  C16  C19  aromatic  1.392  0.020  1.392
 0F0  C28  C27  aromatic  1.393  0.020  1.393
 0F0  C27  N29  single    1.396  0.020  1.396
 0F0  C15  C14  aromatic  1.396  0.020  1.396
 0F0  N20  C19  single    1.402  0.020  1.402
 0F0  C19  C18  aromatic  1.395  0.020  1.395
 0F0  N29  C30  single    1.361  0.020  1.361
 0F0  C14  N13  single    1.391  0.020  1.391
 0F0  C14  C17  aromatic  1.398  0.020  1.398
 0F0  C18  C17  aromatic  1.382  0.020  1.382
 0F0  N13  C12  single    1.359  0.020  1.359
 0F0  O31  C30  double    1.217  0.020  1.217
 0F0  C30  C32  single    1.513  0.020  1.513
 0F0  C12  N08  aromatic  1.335  0.020  1.335
 0F0  C12  N11  aromatic  1.329  0.020  1.329
 0F0  N08  C07  aromatic  1.323  0.020  1.323
 0F0  C01  N02  aromatic  1.325  0.020  1.325
 0F0  C01  C06  aromatic  1.394  0.020  1.394
 0F0  N02  C03  aromatic  1.328  0.020  1.328
 0F0  N11  C10  aromatic  1.326  0.020  1.326
 0F0  C07  C06  single    1.476  0.020  1.476
 0F0  C07  C09  aromatic  1.396  0.020  1.396
 0F0  C32  C33  single    1.522  0.020  1.522
 0F0  C06  C05  aromatic  1.393  0.020  1.393
 0F0  C03  C04  aromatic  1.388  0.020  1.388
 0F0  C10  C09  aromatic  1.380  0.020  1.380
 0F0  C05  C04  aromatic  1.383  0.020  1.383
 0F0  C33  C34  single    1.523  0.020  1.523
 0F0  C34  N35  single    1.451  0.020  1.451
 0F0  N35  C37  single    1.447  0.020  1.447
 0F0  N35  C36  single    1.447  0.020  1.447
 0F0  C01  H1   single    0.930  0.020  1.080
 0F0  C03  H2   single    0.930  0.020  1.080
 0F0  C04  H3   single    0.930  0.020  1.080
 0F0  C05  H4   single    0.930  0.020  1.080
 0F0  C09  H5   single    0.930  0.020  1.080
 0F0  C10  H6   single    0.930  0.020  1.080
 0F0  N13  H7   single    0.860  0.020  1.020
 0F0  C15  H8   single    0.930  0.020  1.080
 0F0  C16  H9   single    0.930  0.020  1.080
 0F0  C17  H10  single    0.930  0.020  1.080
 0F0  C18  H11  single    0.930  0.020  1.080
 0F0  N20  H12  single    0.860  0.020  1.020
 0F0  C24  H13  single    0.930  0.020  1.080
 0F0  C25  H14  single    0.930  0.020  1.080
 0F0  C26  H15  single    0.930  0.020  1.080
 0F0  C28  H16  single    0.930  0.020  1.080
 0F0  N29  H17  single    0.860  0.020  1.020
 0F0  C32  H18  single    0.970  0.020  1.090
 0F0  C32  H19  single    0.970  0.020  1.090
 0F0  C33  H20  single    0.970  0.020  1.090
 0F0  C34  H21  single    0.970  0.020  1.090
 0F0  C34  H22  single    0.970  0.020  1.090
 0F0  C36  H24  single    0.970  0.020  1.090
 0F0  C36  H25  single    0.970  0.020  1.090
 0F0  C36  H26  single    0.970  0.020  1.090
 0F0  C37  H27  single    0.970  0.020  1.090
 0F0  C37  H28  single    0.970  0.020  1.090
 0F0  C37  H29  single    0.970  0.020  1.090
 0F0  C33  H30  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
 0F0  H1   C01  C06  120.51  3.000
 0F0  H1   C01  N02  115.68  3.000
 0F0  C06  C01  N02  123.80  3.000
 0F0  C03  N02  C01  118.00  3.000
 0F0  H2   C03  C04  120.31  3.000
 0F0  H2   C03  N02  116.58  3.000
 0F0  C04  C03  N02  123.12  3.000
 0F0  H3   C04  C05  121.12  3.000
 0F0  H3   C04  C03  120.34  3.000
 0F0  C05  C04  C03  118.55  3.000
 0F0  H4   C05  C06  120.12  3.000
 0F0  H4   C05  C04  120.75  3.000
 0F0  C06  C05  C04  119.13  3.000
 0F0  C07  C06  C05  120.87  3.000
 0F0  C05  C06  C01  117.39  3.000
 0F0  C07  C06  C01  121.74  3.000
 0F0  C09  C07  N08  120.99  3.000
 0F0  C09  C07  C06  122.49  3.000
 0F0  N08  C07  C06  116.52  3.000
 0F0  C12  N08  C07  117.92  3.000
 0F0  H5   C09  C10  120.67  3.000
 0F0  H5   C09  C07  123.15  3.000
 0F0  C10  C09  C07  116.17  3.000
 0F0  H6   C10  N11  116.27  3.000
 0F0  H6   C10  C09  120.30  3.000
 0F0  N11  C10  C09  123.43  3.000
 0F0  C12  N11  C10  115.89  3.000
 0F0  N13  C12  N11  120.28  3.000
 0F0  N11  C12  N08  125.61  3.000
 0F0  N13  C12  N08  114.11  3.000
 0F0  H7   N13  C14  115.29  3.000
 0F0  H7   N13  C12  113.02  3.000
 0F0  C14  N13  C12  131.68  3.000
 0F0  C17  C14  C15  117.94  3.000
 0F0  C17  C14  N13  116.62  3.000
 0F0  C15  C14  N13  125.43  3.000
 0F0  H8   C15  C16  119.37  3.000
 0F0  H8   C15  C14  120.63  3.000
 0F0  C16  C15  C14  119.99  3.000
 0F0  H9   C16  C19  119.68  3.000
 0F0  H9   C16  C15  118.41  3.000
 0F0  C19  C16  C15  121.91  3.000
 0F0  H10  C17  C18  118.48  3.000
 0F0  H10  C17  C14  119.59  3.000
 0F0  C18  C17  C14  121.93  3.000
 0F0  H11  C18  C19  121.34  3.000
 0F0  H11  C18  C17  118.66  3.000
 0F0  C19  C18  C17  119.99  3.000
 0F0  N20  C19  C18  123.77  3.000
 0F0  C18  C19  C16  118.23  3.000
 0F0  N20  C19  C16  117.96  3.000
 0F0  H12  N20  C21  116.84  3.000
 0F0  H12  N20  C19  115.03  3.000
 0F0  C21  N20  C19  127.47  3.000
 0F0  C23  C21  O22  121.44  3.000
 0F0  C23  C21  N20  114.77  3.000
 0F0  O22  C21  N20  123.79  3.000
 0F0  C28  C23  C24  120.76  3.000
 0F0  C28  C23  C21  117.15  3.000
 0F0  C24  C23  C21  122.05  3.000
 0F0  H13  C24  C25  119.44  3.000
 0F0  H13  C24  C23  121.43  3.000
 0F0  C25  C24  C23  119.10  3.000
 0F0  H14  C25  C26  119.46  3.000
 0F0  H14  C25  C24  120.00  3.000
 0F0  C26  C25  C24  120.54  3.000
 0F0  H15  C26  C27  119.77  3.000
 0F0  H15  C26  C25  119.56  3.000
 0F0  C27  C26  C25  120.67  3.000
 0F0  N29  C27  C28  124.36  3.000
 0F0  N29  C27  C26  116.70  3.000
 0F0  C28  C27  C26  118.95  3.000
 0F0  H16  C28  C27  120.74  3.000
 0F0  H16  C28  C23  119.29  3.000
 0F0  C27  C28  C23  119.96  3.000
 0F0  H17  N29  C30  115.71  3.000
 0F0  H17  N29  C27  114.69  3.000
 0F0  C30  N29  C27  129.59  3.000
 0F0  C32  C30  O31  122.62  3.000
 0F0  C32  C30  N29  113.66  3.000
 0F0  O31  C30  N29  123.70  3.000
 0F0  H19  C32  H18  105.95  3.000
 0F0  H19  C32  C33  109.93  3.000
 0F0  H18  C32  C33  110.22  3.000
 0F0  H19  C32  C30  107.05  3.000
 0F0  H18  C32  C30  110.29  3.000
 0F0  C33  C32  C30  113.11  3.000
 0F0  H30  C33  H20  107.00  3.000
 0F0  H30  C33  C34  110.69  3.000
 0F0  H20  C33  C34  109.02  3.000
 0F0  H30  C33  C32  109.07  3.000
 0F0  H20  C33  C32  110.23  3.000
 0F0  C34  C33  C32  110.75  3.000
 0F0  H22  C34  H21  106.12  3.000
 0F0  H22  C34  N35  107.64  3.000
 0F0  H21  C34  N35  111.49  3.000
 0F0  H22  C34  C33  108.30  3.000
 0F0  H21  C34  C33  109.50  3.000
 0F0  N35  C34  C33  113.47  3.000
 0F0  C37  N35  C36  110.57  3.000
 0F0  C36  N35  C34  112.68  3.000
 0F0  C37  N35  C34  110.98  3.000
 0F0  H26  C36  H25  107.19  3.000
 0F0  H26  C36  H24  107.72  3.000
 0F0  H25  C36  H24  107.63  3.000
 0F0  H26  C36  N35  111.20  3.000
 0F0  H25  C36  N35  109.70  3.000
 0F0  H24  C36  N35  113.17  3.000
 0F0  H29  C37  H28  107.58  3.000
 0F0  H29  C37  H27  107.71  3.000
 0F0  H28  C37  H27  107.75  3.000
 0F0  H29  C37  N35  113.45  3.000
 0F0  H28  C37  N35  110.00  3.000
 0F0  H27  C37  N35  110.16  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
 0F0  CONST_01  C04  C03  N02  C01     0.00   0.0  0
 0F0  CONST_04  C04  C05  C06  C01     0.00   0.0  0
 0F0  CONST_05  C07  C06  C01  N02   180.00   0.0  0
 0F0  CONST_06  C05  C06  C01  N02     0.00   0.0  0
 0F0  CONST_07  C05  C04  C03  N02     0.00   0.0  0
 0F0  CONST_08  C06  C01  N02  C03     0.00   0.0  0
 0F0  CONST_09  C06  C05  C04  C03     0.00   0.0  0
 0F0  CONST_10  C07  C06  C05  C04   180.00   0.0  0
 0F0  CONST_13  C12  N08  C07  C06   180.00   0.0  0
 0F0  CONST_14  C10  C09  C07  C06   180.00   0.0  0
 0F0  CONST_15  N11  C12  N08  C07     0.00   0.0  0
 0F0  CONST_16  N11  C10  C09  C07     0.00   0.0  0
 0F0  CONST_17  C10  N11  C12  N08     0.00   0.0  0
 0F0  CONST_18  C10  C09  C07  N08     0.00   0.0  0
 0F0  CONST_19  C12  N08  C07  C09     0.00   0.0  0
 0F0  CONST_20  C12  N11  C10  C09     0.00   0.0  0
 0F0  CONST_21  C19  C16  C15  C14     0.00   0.0  0
 0F0  CONST_22  C19  C18  C17  C14     0.00   0.0  0
 0F0  CONST_23  C18  C19  C16  C15     0.00   0.0  0
 0F0  CONST_24  C18  C17  C14  C15     0.00   0.0  0
 0F0  CONST_25  C17  C14  C15  C16     0.00   0.0  0
 0F0  CONST_26  C17  C18  C19  C16     0.00   0.0  0
 0F0  CONST_27  C26  C25  C24  C23     0.00   0.0  0
 0F0  CONST_28  C26  C27  C28  C23     0.00   0.0  0
 0F0  CONST_29  C27  C26  C25  C24     0.00   0.0  0
 0F0  CONST_30  C27  C28  C23  C24     0.00   0.0  0
 0F0  CONST_31  C28  C23  C24  C25     0.00   0.0  0
 0F0  CONST_32  C28  C27  C26  C25     0.00   0.0  0
 0F0  CONST_33  N13  C12  N08  C07   180.00   0.0  0
 0F0  CONST_34  N13  C12  N11  C10   180.00   0.0  0
 0F0  CONST_35  C16  C15  C14  N13   180.00   0.0  0
 0F0  CONST_36  C18  C17  C14  N13   180.00   0.0  0
 0F0  CONST_37  N20  C19  C16  C15   180.00   0.0  0
 0F0  CONST_38  N20  C19  C18  C17   180.00   0.0  0
 0F0  CONST_39  C25  C24  C23  C21   180.00   0.0  0
 0F0  CONST_40  C27  C28  C23  C21   180.00   0.0  0
 0F0  CONST_41  N29  C27  C28  C23   180.00   0.0  0
 0F0  CONST_42  N29  C27  C26  C25   180.00   0.0  0
 0F0  CONST_43  H2   C03  N02  C01   180.00   0.0  0
 0F0  CONST_44  H4   C05  C06  C01   180.00   0.0  0
 0F0  CONST_45  H3   C04  C03  N02   180.00   0.0  0
 0F0  CONST_46  H1   C01  N02  C03   180.00   0.0  0
 0F0  CONST_47  H5   C09  C07  C06     0.00   0.0  0
 0F0  CONST_48  H6   C10  C09  C07   180.00   0.0  0
 0F0  CONST_49  H9   C16  C15  C14   180.00   0.0  0
 0F0  CONST_50  H11  C18  C17  C14   180.00   0.0  0
 0F0  CONST_51  H10  C17  C14  C15   180.00   0.0  0
 0F0  CONST_52  H8   C15  C14  C17   180.00   0.0  0
 0F0  CONST_53  H14  C25  C24  C23   180.00   0.0  0
 0F0  CONST_54  H15  C26  C25  C24   180.00   0.0  0
 0F0  CONST_55  H16  C28  C23  C24   180.00   0.0  0
 0F0  CONST_56  H13  C24  C25  C26   180.00   0.0  0
 0F0  CONST_57  C23  C21  N20  C19   180.00   0.0  0
 0F0  CONST_60  C30  N29  C27  C26   180.00   0.0  0
 0F0  CONST_61  C30  N29  C27  C28     0.00   0.0  0
 0F0  CONST_63  H17  N29  C27  C26     0.00   0.0  0
 0F0  CONST_64  O22  C21  N20  C19     0.00   0.0  0
 0F0  CONST_65  O31  C30  N29  C27     0.00   0.0  0
 0F0  CONST_66  C32  C30  N29  C27   180.00   0.0  0
 0F0  Var_01    C14  N13  C12  N08   179.96  30.0  1
 0F0  Var_02    C15  C14  N13  C12     6.42  30.0  2
 0F0  Var_03    C24  C23  C21  N20    31.48  30.0  2
 0F0  Var_04    C33  C32  C30  N29  -149.70  30.0  3
 0F0  Var_05    C34  C33  C32  C30  -178.97  30.0  3
 0F0  Var_06    N35  C34  C33  C32   177.19  30.0  3
 0F0  Var_07    C37  N35  C34  C33  -167.09  30.0  3
 0F0  Var_08    H27  C37  N35  C34    58.06  30.0  3
 0F0  Var_09    H24  C36  N35  C34    60.34  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
 0F0  plan-1  C01  0.020
 0F0  plan-1  N02  0.020
 0F0  plan-1  C03  0.020
 0F0  plan-1  C04  0.020
 0F0  plan-1  C05  0.020
 0F0  plan-1  C06  0.020
 0F0  plan-1  C07  0.020
 0F0  plan-1  H1   0.020
 0F0  plan-1  H2   0.020
 0F0  plan-1  H3   0.020
 0F0  plan-1  H4   0.020
 0F0  plan-2  C06  0.020
 0F0  plan-2  C07  0.020
 0F0  plan-2  N08  0.020
 0F0  plan-2  C09  0.020
 0F0  plan-2  C10  0.020
 0F0  plan-2  N11  0.020
 0F0  plan-2  C12  0.020
 0F0  plan-2  N13  0.020
 0F0  plan-2  H5   0.020
 0F0  plan-2  H6   0.020
 0F0  plan-3  N13  0.020
 0F0  plan-3  C14  0.020
 0F0  plan-3  C15  0.020
 0F0  plan-3  C16  0.020
 0F0  plan-3  C17  0.020
 0F0  plan-3  C18  0.020
 0F0  plan-3  C19  0.020
 0F0  plan-3  N20  0.020
 0F0  plan-3  H8   0.020
 0F0  plan-3  H9   0.020
 0F0  plan-3  H10  0.020
 0F0  plan-3  H11  0.020
 0F0  plan-4  C21  0.020
 0F0  plan-4  C23  0.020
 0F0  plan-4  C24  0.020
 0F0  plan-4  C25  0.020
 0F0  plan-4  C26  0.020
 0F0  plan-4  C27  0.020
 0F0  plan-4  C28  0.020
 0F0  plan-4  N29  0.020
 0F0  plan-4  H13  0.020
 0F0  plan-4  H14  0.020
 0F0  plan-4  H15  0.020
 0F0  plan-4  H16  0.020
 0F0  plan-5  C19  0.020
 0F0  plan-5  N20  0.020
 0F0  plan-5  C21  0.020
 0F0  plan-5  O22  0.020
 0F0  plan-5  C23  0.020
 0F0  plan-5  H12  0.020
 0F0  plan-6  C27  0.020
 0F0  plan-6  N29  0.020
 0F0  plan-6  C30  0.020
 0F0  plan-6  O31  0.020
 0F0  plan-6  C32  0.020
 0F0  plan-6  H17  0.020

