# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon Apr 20 18:57:47 2020
#   Inital geometry file: a 158 line input string
#   Ligand name: (3S)-N~1~-(3-chloro-4-cyanophenyl)-N~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCN1C(=O)N(CC)c2ccc(NC(=O)C[C@H](C)CC(=O)Nc3ccc(C#N)c(Cl)c3)cc2C1=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
 CFJ  CFJ  (3S)-N~1~-(3-chloro-4-cyanophenyl)-N~5~-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-3-methylpentanediamide  ligand  61  35  .  2021-08-07  2021-08-07  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_CFJ
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
 CFJ  N3   N   NR6   0  -0.619  -7.1259   0.4230   0.5380
 CFJ  C4   C   CR66  0   0.418  -5.7965   0.6817   0.2490
 CFJ  C5   C   CR16  0  -0.325  -5.1808   1.8952   0.5763
 CFJ  C6   C   CR16  0  -0.323  -3.8614   2.1134   0.2536
 CFJ  C7   C   CR6   0   0.386  -3.0888   1.1475  -0.4033
 CFJ  C13  C   CH3   0  -0.666   1.5217   0.8894   0.7662
 CFJ  C15  C   C     0   0.562   4.2220   0.7369  -0.6813
 CFJ  C20  C   CR16  0  -0.242   8.6326   2.1873   0.8391
 CFJ  C21  C   CR6   0   0.059   9.1087   0.8973   1.0836
 CFJ  C22  C   CSP   0   0.048  10.4328   0.7006   1.5612
 CFJ  C24  C   CR6   0  -0.035   8.2555  -0.1804   0.8496
 CFJ  C26  C   CR16  0  -0.265   6.9666  -0.0024   0.3859
 CFJ  C28  C   CR66  0  -0.104  -5.0249  -0.2861  -0.3898
 CFJ  C1   C   CH3   0  -0.663  -7.7654   1.3549   2.7488
 CFJ  C2   C   CH2   0  -0.344  -7.9400   1.4150   1.2416
 CFJ  N8   N   NH1   0  -0.748  -1.7695   1.4931  -0.7082
 CFJ  C9   C   C     0   0.537  -0.7853   0.7230  -1.2361
 CFJ  O10  O   O     0  -0.467  -0.9210  -0.4583  -1.5047
 CFJ  C11  C   CH2   0  -0.570   0.5193   1.4493  -1.4778
 CFJ  C12  C   CH1   0  -0.238   1.6894   0.7865  -0.7467
 CFJ  C14  C   CH2   0  -0.582   2.9912   1.4393  -1.2075
 CFJ  O16  O   O     0  -0.450   4.3094  -0.4732  -0.6197
 CFJ  N17  N   NH1   0  -0.751   5.2287   1.5851  -0.3137
 CFJ  C18  C   CR6   0   0.400   6.5022   1.2937   0.1443
 CFJ  C19  C   CR16  0  -0.336   7.3527   2.3826   0.3774
 CFJ  N23  N   NS    0  -0.242  11.5095   0.5638   1.9489
 CFJ  C27  C   CR16  0  -0.363  -3.6864  -0.0612  -0.7147
 CFJ  C29  C   CR6   0   0.598  -5.6194  -1.5760  -0.7374
 CFJ  O30  O   O     0  -0.450  -4.9997  -2.4710  -1.2800
 CFJ  N31  N   NR6   0  -0.597  -6.9505  -1.7250  -0.4105
 CFJ  C32  C   CH2   0  -0.314  -7.5979  -3.0027  -0.7260
 CFJ  C33  C   CH3   0  -0.665  -7.4753  -4.0152   0.3989
 CFJ  C34  C   CR6   0   0.753  -7.7106  -0.7861   0.2719
 CFJ  O35  O   O     0  -0.487  -8.8534  -1.0352   0.6034
 CFJ  H1   H   HCR6  0   0.291  -5.7117   2.6840   1.0867
 CFJ  H2   H   HCR6  0   0.287  -3.4169   3.0648   0.5203
 CFJ  H3   H   HCH3  0   0.240   0.5984   0.4161   1.1036
 CFJ  H4   H   HCH3  0   0.242   2.3388   0.4007   1.2979
 CFJ  H5   H   HCH3  0   0.224   1.4942   1.9339   1.0850
 CFJ  H6   H   HCR6  0   0.294   9.2776   3.0370   1.0143
 CFJ  H7   H   HCR6  0   0.315   6.3392  -0.8620   0.2222
 CFJ  H8   H   HCH3  0   0.234  -6.7331   1.5373   3.0480
 CFJ  H9   H   HCH3  0   0.244  -8.3874   2.1159   3.2195
 CFJ  H10  H   HCH3  0   0.239  -8.0667   0.3836   3.1401
 CFJ  H11  H   HCH2  0   0.266  -7.6872   2.3999   0.8540
 CFJ  H12  H   HCH2  0   0.281  -8.9780   1.2447   0.9728
 CFJ  H13  H   HNH1  0   0.419  -1.5228   2.4483  -0.4995
 CFJ  H14  H   HCH2  0   0.283   0.6984   1.4270  -2.5569
 CFJ  H15  H   HCH2  0   0.257   0.4504   2.5026  -1.1930
 CFJ  H16  H   HCH1  0   0.251   1.7174  -0.2674  -1.0336
 CFJ  H17  H   HCH2  0   0.262   2.9961   2.4985  -0.9361
 CFJ  H18  H   HCH2  0   0.294   3.0576   1.4036  -2.3006
 CFJ  H19  H   HNH1  0   0.427   5.0307   2.5696  -0.4134
 CFJ  H20  H   HCR6  0   0.294   7.0026   3.3900   0.1935
 CFJ  H21  H   HCR6  0   0.288  -3.1417  -0.8435  -1.2163
 CFJ  H22  H   HCH2  0   0.263  -8.6414  -2.8050  -0.9542
 CFJ  H23  H   HCH2  0   0.263  -7.1384  -3.3839  -1.6337
 CFJ  H24  H   HCH3  0   0.234  -6.4330  -4.2420   0.6206
 CFJ  H25  H   HCH3  0   0.234  -7.9539  -3.6603   1.3109
 CFJ  H26  H   HCH3  0   0.240  -7.9633  -4.9448   0.1056
 CFJ  CL   CL  CL    0  -0.081   8.8161  -1.7808   1.1482

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
 CFJ  CL   C24  single    1.722  0.020  1.722
 CFJ  N23  C22  triple    1.153  0.020  1.153
 CFJ  C22  C21  single    1.421  0.020  1.421
 CFJ  C24  C21  aromatic  1.394  0.020  1.394
 CFJ  C24  C26  aromatic  1.381  0.020  1.381
 CFJ  C21  C20  aromatic  1.397  0.020  1.397
 CFJ  C26  C18  aromatic  1.398  0.020  1.398
 CFJ  C20  C19  aromatic  1.375  0.020  1.375
 CFJ  C18  C19  aromatic  1.401  0.020  1.401
 CFJ  C18  N17  single    1.384  0.020  1.384
 CFJ  N17  C15  single    1.367  0.020  1.367
 CFJ  O16  C15  double    1.215  0.020  1.215
 CFJ  C15  C14  single    1.512  0.020  1.512
 CFJ  C14  C12  single    1.527  0.020  1.527
 CFJ  C13  C12  single    1.526  0.020  1.526
 CFJ  C33  C32  single    1.518  0.020  1.518
 CFJ  C12  C11  single    1.531  0.020  1.531
 CFJ  C2   N3   single    1.464  0.020  1.464
 CFJ  C2   C1   single    1.518  0.020  1.518
 CFJ  O35  C34  double    1.216  0.020  1.216
 CFJ  N3   C34  single    1.369  0.020  1.369
 CFJ  N3   C4   single    1.385  0.020  1.385
 CFJ  C5   C4   aromatic  1.400  0.020  1.400
 CFJ  C5   C6   aromatic  1.376  0.020  1.376
 CFJ  C34  N31  single    1.387  0.020  1.387
 CFJ  C4   C28  aromatic  1.393  0.020  1.393
 CFJ  C6   C7   aromatic  1.401  0.020  1.401
 CFJ  N31  C32  single    1.467  0.020  1.467
 CFJ  N31  C29  single    1.379  0.020  1.379
 CFJ  C28  C29  single    1.462  0.020  1.462
 CFJ  C28  C27  aromatic  1.396  0.020  1.396
 CFJ  C7   N8   single    1.397  0.020  1.397
 CFJ  C7   C27  aromatic  1.384  0.020  1.384
 CFJ  C29  O30  double    1.216  0.020  1.216
 CFJ  N8   C9   single    1.357  0.020  1.357
 CFJ  C11  C9   single    1.513  0.020  1.513
 CFJ  C9   O10  double    1.219  0.020  1.219
 CFJ  C5   H1   single    0.930  0.020  1.080
 CFJ  C6   H2   single    0.930  0.020  1.080
 CFJ  C13  H3   single    0.970  0.020  1.090
 CFJ  C13  H4   single    0.970  0.020  1.090
 CFJ  C13  H5   single    0.970  0.020  1.090
 CFJ  C20  H6   single    0.930  0.020  1.080
 CFJ  C26  H7   single    0.930  0.020  1.080
 CFJ  C1   H8   single    0.970  0.020  1.090
 CFJ  C1   H9   single    0.970  0.020  1.090
 CFJ  C1   H10  single    0.970  0.020  1.090
 CFJ  C2   H11  single    0.970  0.020  1.090
 CFJ  C2   H12  single    0.970  0.020  1.090
 CFJ  N8   H13  single    0.860  0.020  1.020
 CFJ  C11  H14  single    0.970  0.020  1.090
 CFJ  C11  H15  single    0.970  0.020  1.090
 CFJ  C12  H16  single    0.970  0.020  1.090
 CFJ  C14  H17  single    0.970  0.020  1.090
 CFJ  C14  H18  single    0.970  0.020  1.090
 CFJ  N17  H19  single    0.860  0.020  1.020
 CFJ  C19  H20  single    0.930  0.020  1.080
 CFJ  C27  H21  single    0.930  0.020  1.080
 CFJ  C32  H22  single    0.970  0.020  1.090
 CFJ  C32  H23  single    0.970  0.020  1.090
 CFJ  C33  H24  single    0.970  0.020  1.090
 CFJ  C33  H25  single    0.970  0.020  1.090
 CFJ  C33  H26  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
 CFJ  C34  N3   C2   117.03  3.000
 CFJ  C34  N3   C4   122.31  3.000
 CFJ  C2   N3   C4   120.51  3.000
 CFJ  C28  C4   C5   117.78  3.000
 CFJ  C28  C4   N3   119.85  3.000
 CFJ  C5   C4   N3   122.38  3.000
 CFJ  H1   C5   C6   117.83  3.000
 CFJ  H1   C5   C4   121.86  3.000
 CFJ  C6   C5   C4   120.30  3.000
 CFJ  H2   C6   C7   119.65  3.000
 CFJ  H2   C6   C5   118.36  3.000
 CFJ  C7   C6   C5   121.99  3.000
 CFJ  C27  C7   N8   125.07  3.000
 CFJ  C27  C7   C6   118.01  3.000
 CFJ  N8   C7   C6   116.91  3.000
 CFJ  H5   C13  H4   107.76  3.000
 CFJ  H5   C13  H3   107.65  3.000
 CFJ  H4   C13  H3   106.80  3.000
 CFJ  H5   C13  C12  110.89  3.000
 CFJ  H4   C13  C12  111.77  3.000
 CFJ  H3   C13  C12  111.74  3.000
 CFJ  N17  C15  O16  123.47  3.000
 CFJ  O16  C15  C14  122.62  3.000
 CFJ  N17  C15  C14  113.89  3.000
 CFJ  H6   C20  C19  119.89  3.000
 CFJ  H6   C20  C21  119.62  3.000
 CFJ  C19  C20  C21  120.49  3.000
 CFJ  C24  C21  C22  121.30  3.000
 CFJ  C24  C21  C20  118.42  3.000
 CFJ  C22  C21  C20  120.28  3.000
 CFJ  N23  C22  C21  180.00  3.000
 CFJ  CL   C24  C26  118.80  3.000
 CFJ  C26  C24  C21  121.85  3.000
 CFJ  CL   C24  C21  119.35  3.000
 CFJ  H7   C26  C18  121.36  3.000
 CFJ  H7   C26  C24  119.47  3.000
 CFJ  C18  C26  C24  119.18  3.000
 CFJ  C29  C28  C27  118.47  3.000
 CFJ  C27  C28  C4   121.74  3.000
 CFJ  C29  C28  C4   119.79  3.000
 CFJ  H10  C1   H9   108.03  3.000
 CFJ  H10  C1   H8   108.21  3.000
 CFJ  H9   C1   H8   107.77  3.000
 CFJ  H10  C1   C2   111.09  3.000
 CFJ  H9   C1   C2   109.60  3.000
 CFJ  H8   C1   C2   112.00  3.000
 CFJ  H12  C2   H11  106.02  3.000
 CFJ  H12  C2   C1   110.46  3.000
 CFJ  H11  C2   C1   111.26  3.000
 CFJ  H12  C2   N3   107.85  3.000
 CFJ  H11  C2   N3   108.24  3.000
 CFJ  C1   C2   N3   112.73  3.000
 CFJ  H13  N8   C9   116.15  3.000
 CFJ  H13  N8   C7   114.84  3.000
 CFJ  C9   N8   C7   129.01  3.000
 CFJ  C11  C9   O10  121.74  3.000
 CFJ  O10  C9   N8   123.71  3.000
 CFJ  C11  C9   N8   114.54  3.000
 CFJ  H15  C11  H14  106.67  3.000
 CFJ  H15  C11  C12  109.94  3.000
 CFJ  H14  C11  C12  109.70  3.000
 CFJ  H15  C11  C9   111.51  3.000
 CFJ  H14  C11  C9   106.80  3.000
 CFJ  C12  C11  C9   112.03  3.000
 CFJ  H16  C12  C14  108.13  3.000
 CFJ  H16  C12  C11  108.17  3.000
 CFJ  C14  C12  C11  108.81  3.000
 CFJ  H16  C12  C13  109.16  3.000
 CFJ  C11  C12  C13  111.13  3.000
 CFJ  C14  C12  C13  111.35  3.000
 CFJ  H18  C14  H17  106.19  3.000
 CFJ  H18  C14  C12  109.80  3.000
 CFJ  H17  C14  C12  110.05  3.000
 CFJ  H18  C14  C15  106.43  3.000
 CFJ  H17  C14  C15  111.11  3.000
 CFJ  C12  C14  C15  112.98  3.000
 CFJ  H19  N17  C18  114.75  3.000
 CFJ  H19  N17  C15  115.74  3.000
 CFJ  C18  N17  C15  129.49  3.000
 CFJ  C19  C18  N17  116.73  3.000
 CFJ  N17  C18  C26  123.92  3.000
 CFJ  C19  C18  C26  119.35  3.000
 CFJ  H20  C19  C18  119.92  3.000
 CFJ  H20  C19  C20  119.37  3.000
 CFJ  C18  C19  C20  120.71  3.000
 CFJ  H21  C27  C28  118.45  3.000
 CFJ  H21  C27  C7   121.38  3.000
 CFJ  C28  C27  C7   120.17  3.000
 CFJ  N31  C29  O30  121.21  3.000
 CFJ  O30  C29  C28  123.23  3.000
 CFJ  N31  C29  C28  115.56  3.000
 CFJ  C34  N31  C32  116.97  3.000
 CFJ  C32  N31  C29  117.98  3.000
 CFJ  C34  N31  C29  124.92  3.000
 CFJ  H23  C32  H22  107.13  3.000
 CFJ  H23  C32  C33  110.54  3.000
 CFJ  H22  C32  C33  110.76  3.000
 CFJ  H23  C32  N31  107.39  3.000
 CFJ  H22  C32  N31  108.10  3.000
 CFJ  C33  C32  N31  112.70  3.000
 CFJ  H26  C33  H25  107.84  3.000
 CFJ  H26  C33  H24  107.79  3.000
 CFJ  H25  C33  H24  108.52  3.000
 CFJ  H26  C33  C32  109.46  3.000
 CFJ  H25  C33  C32  111.57  3.000
 CFJ  H24  C33  C32  111.51  3.000
 CFJ  O35  C34  N31  120.69  3.000
 CFJ  N31  C34  N3   117.33  3.000
 CFJ  O35  C34  N3   121.97  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
 CFJ  CONST_01  C7   C6   C5   C4      0.00   0.0  0
 CFJ  CONST_02  C7   C27  C28  C4      0.00   0.0  0
 CFJ  CONST_03  C27  C28  C4   C5      0.00   0.0  0
 CFJ  CONST_04  C27  C7   C6   C5      0.00   0.0  0
 CFJ  CONST_05  C28  C4   C5   C6      0.00   0.0  0
 CFJ  CONST_06  C28  C27  C7   C6      0.00   0.0  0
 CFJ  CONST_07  C26  C24  C21  C20     0.00   0.0  0
 CFJ  CONST_08  C26  C18  C19  C20     0.00   0.0  0
 CFJ  CONST_09  C18  C26  C24  C21     0.00   0.0  0
 CFJ  CONST_10  C18  C19  C20  C21     0.00   0.0  0
 CFJ  CONST_11  C19  C20  C21  C24     0.00   0.0  0
 CFJ  CONST_12  C19  C18  C26  C24     0.00   0.0  0
 CFJ  CONST_13  C29  N31  C34  N3      0.00   0.0  0
 CFJ  CONST_14  N31  C34  N3   C4      0.00   0.0  0
 CFJ  CONST_15  C34  N31  C29  C28     0.00   0.0  0
 CFJ  CONST_16  N8   C7   C6   C5    180.00   0.0  0
 CFJ  CONST_17  CL   C24  C21  C20   180.00   0.0  0
 CFJ  CONST_18  N17  C18  C19  C20   180.00   0.0  0
 CFJ  CONST_19  C26  C24  C21  C22   180.00   0.0  0
 CFJ  CONST_20  C19  C20  C21  C22   180.00   0.0  0
 CFJ  CONST_21  N17  C18  C26  C24   180.00   0.0  0
 CFJ  CONST_22  N8   C7   C27  C28   180.00   0.0  0
 CFJ  CONST_23  CL   C24  C26  C18   180.00   0.0  0
 CFJ  CONST_24  C32  N31  C34  N3    180.00   0.0  0
 CFJ  CONST_25  O35  C34  N3   C4    180.00   0.0  0
 CFJ  CONST_26  C32  N31  C29  C28   180.00   0.0  0
 CFJ  CONST_27  N31  C34  N3   C2    180.00   0.0  0
 CFJ  CONST_28  O35  C34  N31  C29   180.00   0.0  0
 CFJ  CONST_29  C34  N31  C29  O30   180.00   0.0  0
 CFJ  CONST_30  H1   C5   C4   N3      0.00   0.0  0
 CFJ  CONST_31  H2   C6   C5   C4    180.00   0.0  0
 CFJ  CONST_32  H21  C27  C28  C4    180.00   0.0  0
 CFJ  CONST_33  H7   C26  C24  C21   180.00   0.0  0
 CFJ  CONST_34  H20  C19  C20  C21   180.00   0.0  0
 CFJ  CONST_35  H6   C20  C21  C24   180.00   0.0  0
 CFJ  CONST_36  C9   N8   C7   C6    180.00   0.0  0
 CFJ  CONST_37  C26  C18  N17  C15     0.00   0.0  0
 CFJ  CONST_38  C19  C18  N17  C15   180.00   0.0  0
 CFJ  CONST_39  C27  C7   N8   C9      0.00   0.0  0
 CFJ  CONST_40  O35  C34  N3   C2      0.00   0.0  0
 CFJ  CONST_41  C32  N31  C29  O30     0.00   0.0  0
 CFJ  CONST_42  O35  C34  N31  C32     0.00   0.0  0
 CFJ  CONST_43  H13  N8   C7   C6      0.00   0.0  0
 CFJ  CONST_44  H19  N17  C18  C26   180.00   0.0  0
 CFJ  CONST_45  C11  C9   N8   C7    180.00   0.0  0
 CFJ  CONST_46  O10  C9   N8   C7      0.00   0.0  0
 CFJ  CONST_47  C18  N17  C15  C14   180.00   0.0  0
 CFJ  CONST_48  C18  N17  C15  O16     0.00   0.0  0
 CFJ  Var_01    C1   C2   N3   C4    -83.35  30.0  2
 CFJ  Var_02    C33  C32  N31  C29    89.21  30.0  3
 CFJ  Var_03    H8   C1   C2   N3     60.10  30.0  3
 CFJ  Var_04    H24  C33  C32  N31   -60.23  30.0  3
 CFJ  Var_05    C12  C11  C9   N8    122.96  30.0  2
 CFJ  Var_06    N17  C15  C14  C12  -140.95  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
 CFJ  chir_01  C12  C14  C13  C11  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
 CFJ  plan-1  C20  0.020
 CFJ  plan-1  C21  0.020
 CFJ  plan-1  C22  0.020
 CFJ  plan-1  C24  0.020
 CFJ  plan-1  C26  0.020
 CFJ  plan-1  N17  0.020
 CFJ  plan-1  C18  0.020
 CFJ  plan-1  C19  0.020
 CFJ  plan-1  N23  0.020
 CFJ  plan-1  H6   0.020
 CFJ  plan-1  H7   0.020
 CFJ  plan-1  H20  0.020
 CFJ  plan-1  CL   0.020
 CFJ  plan-2  N3   0.020
 CFJ  plan-2  C4   0.020
 CFJ  plan-2  C5   0.020
 CFJ  plan-2  C6   0.020
 CFJ  plan-2  C7   0.020
 CFJ  plan-2  C28  0.020
 CFJ  plan-2  C2   0.020
 CFJ  plan-2  N8   0.020
 CFJ  plan-2  C27  0.020
 CFJ  plan-2  C29  0.020
 CFJ  plan-2  O30  0.020
 CFJ  plan-2  N31  0.020
 CFJ  plan-2  C32  0.020
 CFJ  plan-2  C34  0.020
 CFJ  plan-2  O35  0.020
 CFJ  plan-2  H1   0.020
 CFJ  plan-2  H2   0.020
 CFJ  plan-2  H21  0.020
 CFJ  plan-3  C15  0.020
 CFJ  plan-3  C14  0.020
 CFJ  plan-3  O16  0.020
 CFJ  plan-3  N17  0.020
 CFJ  plan-3  C18  0.020
 CFJ  plan-3  H19  0.020
 CFJ  plan-4  C7   0.020
 CFJ  plan-4  N8   0.020
 CFJ  plan-4  C9   0.020
 CFJ  plan-4  O10  0.020
 CFJ  plan-4  C11  0.020
 CFJ  plan-4  H13  0.020

