# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Apr 16 08:14:34 2020
#   Inital geometry file: a 155 line input string
#   Ligand name: N-cyclohexyl-4-[4-(3,4-dichlorophenyl)-2-piperidin-4-yl-1-propyl-1H-imidazol-5-yl]pyrimidin-2-amine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCCn1c(nc(c2ccc(Cl)c(Cl)c2)c1c3ccnc(NC4CCCCC4)n3)C5CCNCC5
#
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
 880  880  N-cyclohexyl-4-[4-(3,4-dichlorophenyl)-2-piperidin-4-yl-1-propyl-1H-imidazol-5-yl]pyrimidin-2-amine  ligand  69  35  .  2022-03-10  2022-03-10
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_880
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
 880  N1    N   NR5   0  -0.511   1.1657   0.5300   2.6847
 880  C2    C   CR5   0   0.527   0.1470   0.2356   3.5336
 880  N3    N   N     0  -0.463  -0.9830   0.1065   2.8840
 880  C4    C   CR5   0   0.088  -0.7017   0.3005   1.5655
 880  C5    C   CR5   0   0.294   0.6412   0.5567   1.4153
 880  C6    C   CH2   0  -0.328   2.5833   0.5785   3.0059
 880  C7    C   CH2   0  -0.440   3.2811  -0.7557   2.7769
 880  C10   C   CH3   0  -0.666   4.7682  -0.6572   3.0802
 880  C16   C   CH1   0  -0.398   0.2884   0.0347   5.0063
 880  C17   C   CH2   0  -0.401  -0.7972   0.7855   5.7824
 880  C18   C   CH2   0  -0.300  -0.6660   0.5086   7.2725
 880  N19   N   NH1   0  -0.596  -0.7501  -0.9192   7.5235
 880  C20   C   CH2   0  -0.295   0.3280  -1.6413   6.8727
 880  C21   C   CH2   0  -0.416   0.2412  -1.4560   5.3652
 880  C35   C   CR6   0   0.040  -1.7584   0.2398   0.5563
 880  C36   C   CR6   0   0.158   1.4255   0.8108   0.2021
 880  C37   C   CR16  0  -0.282  -1.6655   0.9258  -0.6528
 880  C38   C   CR6   0   0.023  -2.6665   0.8245  -1.6033
 880  C39   C   CR6   0  -0.025  -3.7993   0.0585  -1.3526
 880  C40   C   CR16  0  -0.204  -3.9159  -0.6037  -0.1395
 880  C41   C   CR16  0  -0.305  -2.9071  -0.5143   0.8026
 880  CL45  CL  CL    0  -0.097  -2.4889   1.6668  -3.0974
 880  CL46  CL  CL    0  -0.100  -5.0552  -0.0712  -2.5235
 880  C47   C   CR16  0  -0.390   2.1734   1.9740   0.0396
 880  C48   C   CR16  0  -0.008   2.7967   2.1224  -1.1881
 880  N49   N   N     0  -0.459   2.6925   1.2414  -2.1670
 880  C50   C   CR6   0   0.589   1.9505   0.1560  -1.9131
 880  N51   N   N     0  -0.457   1.3267  -0.0990  -0.7553
 880  N54   N   NH1   0  -0.664   1.8229  -0.7766  -2.8753
 880  C55   C   CH1   0  -0.063   2.1792  -0.5744  -4.2650
 880  C56   C   CH2   0  -0.436   2.5146  -1.9133  -4.9150
 880  C57   C   CH2   0  -0.437   2.8933  -1.7259  -6.3813
 880  C58   C   CH2   0  -0.432   1.7983  -1.0001  -7.1565
 880  C59   C   CH2   0  -0.439   1.4542   0.3340  -6.5015
 880  C60   C   CH2   0  -0.426   1.0693   0.1407  -5.0379
 880  H061  H   HCH2  0   0.276   2.6885   0.8921   4.0433
 880  H062  H   HCH2  0   0.270   3.0516   1.3559   2.4039
 880  H071  H   HCH2  0   0.236   3.1323  -1.0724   1.7412
 880  H072  H   HCH2  0   0.240   2.8189  -1.5217   3.4049
 880  H101  H   HCH3  0   0.239   5.2647  -1.6113   2.9071
 880  H102  H   HCH3  0   0.226   5.2506   0.0882   2.4459
 880  H103  H   HCH3  0   0.227   4.9436  -0.3734   4.1187
 880  H16   H   HCH1  0   0.255   1.2562   0.4275   5.3361
 880  H171  H   HCH2  0   0.238  -0.7190   1.8589   5.5965
 880  H172  H   HCH2  0   0.225  -1.7820   0.4648   5.4349
 880  H181  H   HCH2  0   0.188   0.2818   0.9441   7.6321
 880  H182  H   HCH2  0   0.235  -1.4707   1.0106   7.8135
 880  H19   H   HNH1  0   0.353  -0.7151  -1.0881   8.5202
 880  H201  H   HCH2  0   0.189   1.3239  -1.3091   7.2126
 880  H202  H   HCH2  0   0.235   0.2453  -2.7016   7.1200
 880  H211  H   HCH2  0   0.227  -0.6936  -1.8863   4.9951
 880  H212  H   HCH2  0   0.242   1.0606  -1.9924   4.8805
 880  H37   H   HCR6  0   0.269  -0.8198   1.5629  -0.8668
 880  H40   H   HCR6  0   0.287  -4.7969  -1.1971   0.0634
 880  H41   H   HCR6  0   0.263  -3.0093  -1.0447   1.7396
 880  H47   H   HCR6  0   0.277   2.2318   2.7396   0.7986
 880  H48   H   HCR6  0   0.271   3.3928   3.0049  -1.3950
 880  H54   H   HNH1  0   0.383   1.1562  -1.5071  -2.6747
 880  H55   H   HCH1  0   0.239   3.0747   0.0511  -4.2837
 880  H561  H   HCH2  0   0.238   3.3280  -2.3957  -4.3675
 880  H562  H   HCH2  0   0.215   1.6444  -2.5764  -4.8434
 880  H571  H   HCH2  0   0.213   3.8222  -1.1483  -6.4388
 880  H572  H   HCH2  0   0.232   3.1043  -2.6960  -6.8369
 880  H581  H   HCH2  0   0.229   2.1082  -0.8468  -8.1929
 880  H582  H   HCH2  0   0.211   0.9010  -1.6276  -7.1876
 880  H591  H   HCH2  0   0.213   2.3190   1.0030  -6.5653
 880  H592  H   HCH2  0   0.231   0.6417   0.8259  -7.0412
 880  H601  H   HCH2  0   0.211   0.1542  -0.4596  -4.9789
 880  H602  H   HCH2  0   0.232   0.8468   1.1002  -4.5642

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
 880  N1   C2    aromatic  1.358  0.020  1.358
 880  N1   C5    aromatic  1.374  0.020  1.374
 880  N1   C6    single    1.454  0.020  1.454
 880  C2   N3    aromatic  1.310  0.020  1.310
 880  C2   C16   single    1.493  0.020  1.493
 880  N3   C4    aromatic  1.362  0.020  1.362
 880  C4   C5    aromatic  1.375  0.020  1.375
 880  C4   C35   single    1.462  0.020  1.462
 880  C5   C36   single    1.467  0.020  1.467
 880  C6   C7    single    1.523  0.020  1.523
 880  C6   H061  single    0.970  0.020  1.090
 880  C6   H062  single    0.970  0.020  1.090
 880  C7   C10   single    1.521  0.020  1.521
 880  C7   H071  single    0.970  0.020  1.090
 880  C7   H072  single    0.970  0.020  1.090
 880  C10  H101  single    0.970  0.020  1.090
 880  C10  H102  single    0.970  0.020  1.090
 880  C10  H103  single    0.970  0.020  1.090
 880  C16  C17   single    1.531  0.020  1.531
 880  C16  C21   single    1.534  0.020  1.534
 880  C16  H16   single    0.970  0.020  1.090
 880  C17  C18   single    1.521  0.020  1.521
 880  C17  H171  single    0.970  0.020  1.090
 880  C17  H172  single    0.970  0.020  1.090
 880  C18  N19   single    1.452  0.020  1.452
 880  C18  H181  single    0.970  0.020  1.090
 880  C18  H182  single    0.970  0.020  1.090
 880  N19  C20   single    1.452  0.020  1.452
 880  N19  H19   single    0.890  0.020  1.040
 880  C20  C21   single    1.521  0.020  1.521
 880  C20  H201  single    0.970  0.020  1.090
 880  C20  H202  single    0.970  0.020  1.090
 880  C21  H211  single    0.970  0.020  1.090
 880  C21  H212  single    0.970  0.020  1.090
 880  C35  C37   aromatic  1.393  0.020  1.393
 880  C35  C41   aromatic  1.396  0.020  1.396
 880  C36  C47   aromatic  1.392  0.020  1.392
 880  C36  N51   aromatic  1.324  0.020  1.324
 880  C37  C38   aromatic  1.384  0.020  1.384
 880  C37  H37   single    0.930  0.020  1.080
 880  C38  C39   aromatic  1.390  0.020  1.390
 880  C38  CL45  single    1.724  0.020  1.724
 880  C39  C40   aromatic  1.387  0.020  1.387
 880  C39  CL46  single    1.722  0.020  1.722
 880  C40  C41   aromatic  1.383  0.020  1.383
 880  C40  H40   single    0.930  0.020  1.080
 880  C41  H41   single    0.930  0.020  1.080
 880  C47  C48   aromatic  1.385  0.020  1.385
 880  C47  H47   single    0.930  0.020  1.080
 880  C48  N49   aromatic  1.321  0.020  1.321
 880  C48  H48   single    0.930  0.020  1.080
 880  N49  C50   aromatic  1.339  0.020  1.339
 880  C50  N51   aromatic  1.340  0.020  1.340
 880  C50  N54   single    1.346  0.020  1.346
 880  N54  C55   single    1.449  0.020  1.449
 880  N54  H54   single    0.890  0.020  1.040
 880  C55  C56   single    1.526  0.020  1.526
 880  C55  C60   single    1.530  0.020  1.530
 880  C55  H55   single    0.970  0.020  1.090
 880  C56  C57   single    1.526  0.020  1.526
 880  C56  H561  single    0.970  0.020  1.090
 880  C56  H562  single    0.970  0.020  1.090
 880  C57  C58   single    1.525  0.020  1.525
 880  C57  H571  single    0.970  0.020  1.090
 880  C57  H572  single    0.970  0.020  1.090
 880  C58  C59   single    1.526  0.020  1.526
 880  C58  H581  single    0.970  0.020  1.090
 880  C58  H582  single    0.970  0.020  1.090
 880  C59  C60   single    1.526  0.020  1.526
 880  C59  H591  single    0.970  0.020  1.090
 880  C59  H592  single    0.970  0.020  1.090
 880  C60  H601  single    0.970  0.020  1.090
 880  C60  H602  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
 880  C6    N1   C5    125.14  3.000
 880  C6    N1   C2    126.88  3.000
 880  C5    N1   C2    107.18  3.000
 880  C16   C2   N3    123.90  3.000
 880  C16   C2   N1    125.07  3.000
 880  N3    C2   N1    111.00  3.000
 880  C4    N3   C2    106.74  3.000
 880  C35   C4   C5    129.63  3.000
 880  C35   C4   N3    120.86  3.000
 880  C5    C4   N3    109.50  3.000
 880  C36   C5   C4    130.14  3.000
 880  C36   C5   N1    124.30  3.000
 880  C4    C5   N1    105.56  3.000
 880  H062  C6   H061  106.23  3.000
 880  H062  C6   C7    110.20  3.000
 880  H061  C6   C7    110.57  3.000
 880  H062  C6   N1    108.71  3.000
 880  H061  C6   N1    108.31  3.000
 880  C7    C6   N1    112.59  3.000
 880  H072  C7   H071  106.49  3.000
 880  H072  C7   C10   110.14  3.000
 880  H071  C7   C10   109.92  3.000
 880  H072  C7   C6    109.50  3.000
 880  H071  C7   C6    109.50  3.000
 880  C10   C7   C6    111.18  3.000
 880  H103  C10  H102  107.73  3.000
 880  H103  C10  H101  107.81  3.000
 880  H102  C10  H101  107.72  3.000
 880  H103  C10  C7    111.34  3.000
 880  H102  C10  C7    111.14  3.000
 880  H101  C10  C7    110.93  3.000
 880  H16   C16  C21   107.77  3.000
 880  H16   C16  C17   107.33  3.000
 880  C21   C16  C17   109.64  3.000
 880  H16   C16  C2    109.42  3.000
 880  C21   C16  C2    111.02  3.000
 880  C17   C16  C2    111.52  3.000
 880  H172  C17  H171  107.39  3.000
 880  H172  C17  C18   109.63  3.000
 880  H171  C17  C18   109.84  3.000
 880  H172  C17  C16   109.51  3.000
 880  H171  C17  C16   110.17  3.000
 880  C18   C17  C16   110.25  3.000
 880  H182  C18  H181  106.87  3.000
 880  H182  C18  N19   108.89  3.000
 880  H181  C18  N19   112.43  3.000
 880  H182  C18  C17   109.76  3.000
 880  H181  C18  C17   108.75  3.000
 880  N19   C18  C17   110.07  3.000
 880  H19   N19  C20   109.45  3.000
 880  H19   N19  C18   109.42  3.000
 880  C20   N19  C18   111.63  3.000
 880  H202  C20  H201  106.92  3.000
 880  H202  C20  C21   109.78  3.000
 880  H201  C20  C21   108.66  3.000
 880  H202  C20  N19   108.98  3.000
 880  H201  C20  N19   112.49  3.000
 880  C21   C20  N19   109.95  3.000
 880  H212  C21  H211  107.32  3.000
 880  H212  C21  C20   109.69  3.000
 880  H211  C21  C20   109.65  3.000
 880  H212  C21  C16   110.50  3.000
 880  H211  C21  C16   109.23  3.000
 880  C20   C21  C16   110.39  3.000
 880  C41   C35  C37   118.29  3.000
 880  C41   C35  C4    119.68  3.000
 880  C37   C35  C4    122.02  3.000
 880  N51   C36  C47   121.97  3.000
 880  N51   C36  C5    116.04  3.000
 880  C47   C36  C5    121.90  3.000
 880  H37   C37  C38   118.25  3.000
 880  H37   C37  C35   120.97  3.000
 880  C38   C37  C35   120.77  3.000
 880  CL45  C38  C39   120.62  3.000
 880  CL45  C38  C37   119.00  3.000
 880  C39   C38  C37   120.38  3.000
 880  CL46  C39  C40   119.83  3.000
 880  CL46  C39  C38   120.87  3.000
 880  C40   C39  C38   119.30  3.000
 880  H40   C40  C41   120.12  3.000
 880  H40   C40  C39   119.64  3.000
 880  C41   C40  C39   120.23  3.000
 880  H41   C41  C40   119.31  3.000
 880  H41   C41  C35   119.70  3.000
 880  C40   C41  C35   120.99  3.000
 880  H47   C47  C48   121.53  3.000
 880  H47   C47  C36   122.64  3.000
 880  C48   C47  C36   115.77  3.000
 880  H48   C48  N49   116.39  3.000
 880  H48   C48  C47   120.24  3.000
 880  N49   C48  C47   123.36  3.000
 880  C50   N49  C48   116.34  3.000
 880  N54   C50  N51   116.21  3.000
 880  N54   C50  N49   118.59  3.000
 880  N51   C50  N49   125.19  3.000
 880  C50   N51  C36   117.34  3.000
 880  H54   N54  C55   117.01  3.000
 880  H54   N54  C50   114.97  3.000
 880  C55   N54  C50   124.44  3.000
 880  H55   C55  C60   108.57  3.000
 880  H55   C55  C56   108.37  3.000
 880  C60   C55  C56   110.76  3.000
 880  H55   C55  N54   107.33  3.000
 880  C60   C55  N54   111.80  3.000
 880  C56   C55  N54   109.89  3.000
 880  H562  C56  H561  106.92  3.000
 880  H562  C56  C57   109.51  3.000
 880  H561  C56  C57   110.54  3.000
 880  H562  C56  C55   109.18  3.000
 880  H561  C56  C55   109.73  3.000
 880  C57   C56  C55   110.86  3.000
 880  H572  C57  H571  106.41  3.000
 880  H572  C57  C58   110.45  3.000
 880  H571  C57  C58   109.34  3.000
 880  H572  C57  C56   109.85  3.000
 880  H571  C57  C56   109.01  3.000
 880  C58   C57  C56   111.63  3.000
 880  H582  C58  H581  106.61  3.000
 880  H582  C58  C59   109.17  3.000
 880  H581  C58  C59   110.40  3.000
 880  H582  C58  C57   109.26  3.000
 880  H581  C58  C57   110.20  3.000
 880  C59   C58  C57   111.09  3.000
 880  H592  C59  H591  106.47  3.000
 880  H592  C59  C60   110.08  3.000
 880  H591  C59  C60   109.42  3.000
 880  H592  C59  C58   110.45  3.000
 880  H591  C59  C58   109.33  3.000
 880  C60   C59  C58   110.98  3.000
 880  H602  C60  H601  106.71  3.000
 880  H602  C60  C59   110.85  3.000
 880  H601  C60  C59   109.37  3.000
 880  H602  C60  C55   109.82  3.000
 880  H601  C60  C55   108.82  3.000
 880  C59   C60  C55   111.15  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
 880  CONST_01  C4    N3   C2   N1      0.00   0.0  0
 880  CONST_02  N3    C4   C5   N1      0.00   0.0  0
 880  CONST_03  C35   C4   C5   N1    180.00   0.0  0
 880  CONST_06  C4    C5   N1   C2      0.00   0.0  0
 880  CONST_07  C36   C5   N1   C2    180.00   0.0  0
 880  CONST_08  C5    C4   N3   C2      0.00   0.0  0
 880  CONST_09  C35   C4   N3   C2    180.00   0.0  0
 880  CONST_10  C5    N1   C2   N3      0.00   0.0  0
 880  CONST_11  C36   C5   C4   N3    180.00   0.0  0
 880  CONST_16  C38   C37  C35  C4    180.00   0.0  0
 880  CONST_17  C40   C41  C35  C4    180.00   0.0  0
 880  CONST_20  C48   C47  C36  C5    180.00   0.0  0
 880  CONST_21  C50   N51  C36  C5    180.00   0.0  0
 880  CONST_22  C36   C5   C4   C35     0.00   0.0  0
 880  CONST_23  C39   C38  C37  C35     0.00   0.0  0
 880  CONST_24  C39   C40  C41  C35     0.00   0.0  0
 880  CONST_25  N49   C48  C47  C36     0.00   0.0  0
 880  CONST_26  N49   C50  N51  C36     0.00   0.0  0
 880  CONST_27  C40   C41  C35  C37     0.00   0.0  0
 880  CONST_28  C40   C39  C38  C37     0.00   0.0  0
 880  CONST_29  C41   C35  C37  C38     0.00   0.0  0
 880  CONST_30  C41   C40  C39  C38     0.00   0.0  0
 880  CONST_31  C50   N51  C36  C47     0.00   0.0  0
 880  CONST_32  C50   N49  C48  C47     0.00   0.0  0
 880  CONST_33  N51   C36  C47  C48     0.00   0.0  0
 880  CONST_34  N51   C50  N49  C48     0.00   0.0  0
 880  CONST_35  C16   C2   N3   C4    180.00   0.0  0
 880  CONST_36  C16   C2   N1   C5    180.00   0.0  0
 880  CONST_37  C6    N1   C2   N3    180.00   0.0  0
 880  CONST_38  C6    N1   C5   C4    180.00   0.0  0
 880  CONST_39  C16   C2   N1   C6      0.00   0.0  0
 880  CONST_40  C36   C5   N1   C6      0.00   0.0  0
 880  CONST_41  CL45  C38  C37  C35   180.00   0.0  0
 880  CONST_42  N54   C50  N51  C36   180.00   0.0  0
 880  CONST_43  CL46  C39  C38  C37   180.00   0.0  0
 880  CONST_44  CL45  C38  C39  C40   180.00   0.0  0
 880  CONST_45  CL46  C39  C40  C41   180.00   0.0  0
 880  CONST_46  N54   C50  N49  C48   180.00   0.0  0
 880  CONST_47  C55   N54  C50  N49     0.00   0.0  0
 880  CONST_48  C55   N54  C50  N51   180.00   0.0  0
 880  CONST_49  H37   C37  C35  C4      0.00   0.0  0
 880  CONST_50  H41   C41  C35  C4      0.00   0.0  0
 880  CONST_51  H47   C47  C36  C5      0.00   0.0  0
 880  CONST_52  H40   C40  C41  C35   180.00   0.0  0
 880  CONST_53  H48   C48  C47  C36   180.00   0.0  0
 880  CONST_54  H54   N54  C50  N49   180.00   0.0  0
 880  Var_01    N19   C18  C17  C16   -57.59  30.0  1
 880  Var_02    N19   C20  C21  C16    57.41  30.0  1
 880  Var_03    C20   N19  C18  C17    61.92  30.0  1
 880  Var_04    C21   C20  N19  C18   -61.75  30.0  1
 880  Var_05    C58   C57  C56  C55   -55.65  30.0  1
 880  Var_06    C58   C59  C60  C55    56.18  30.0  1
 880  Var_07    C59   C58  C57  C56    55.30  30.0  1
 880  Var_08    C60   C59  C58  C57   -55.33  30.0  1
 880  Var_09    C7    C6   N1   C2     91.33  30.0  2
 880  Var_10    C10   C7   C6   N1    178.20  30.0  3
 880  Var_11    H101  C10  C7   C6   -179.52  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
 880  chir_01  C16  C2   C17  C21  negativ
 880  chir_02  C55  N54  C56  C60  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
 880  plan-1  N1    0.020
 880  plan-1  C2    0.020
 880  plan-1  N3    0.020
 880  plan-1  C4    0.020
 880  plan-1  C5    0.020
 880  plan-1  C6    0.020
 880  plan-1  C16   0.020
 880  plan-1  C35   0.020
 880  plan-1  C36   0.020
 880  plan-2  C4    0.020
 880  plan-2  C35   0.020
 880  plan-2  C37   0.020
 880  plan-2  C38   0.020
 880  plan-2  C39   0.020
 880  plan-2  C40   0.020
 880  plan-2  C41   0.020
 880  plan-2  CL45  0.020
 880  plan-2  CL46  0.020
 880  plan-2  H37   0.020
 880  plan-2  H40   0.020
 880  plan-2  H41   0.020
 880  plan-3  C5    0.020
 880  plan-3  C36   0.020
 880  plan-3  C47   0.020
 880  plan-3  C48   0.020
 880  plan-3  N49   0.020
 880  plan-3  C50   0.020
 880  plan-3  N51   0.020
 880  plan-3  N54   0.020
 880  plan-3  H47   0.020
 880  plan-3  H48   0.020
 880  plan-4  C50   0.020
 880  plan-4  N54   0.020
 880  plan-4  C55   0.020
 880  plan-4  H54   0.020

