# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Apr  4 17:43:02 2020
#   Inital geometry file: a 138 line input string
#   Ligand name: 4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)pyrimidin-2-yl}piperazin-2-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1ccc(Oc2cc(NCc3[nH]c4ccccc4n3)nc(n2)N5CCNC(=O)C5)c(Cl)c1
#
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
 0P5  0P5  4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)pyrimidin-2-yl}piperazin-2-one  ligand  56  34  .  2021-08-03  2021-08-03  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_0P5
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
 0P5  CL1  CL  CL    0  -0.105  -3.1913  -1.8639  -2.3983
 0P5  CAY  C   CR6   0  -0.084  -3.8352  -2.0024  -0.8042
 0P5  CAJ  C   CR16  0  -0.324  -5.2013  -1.9768  -0.6133
 0P5  CAZ  C   CR6   0   0.386  -5.7236  -2.1006   0.6762
 0P5  OAV  O   O2    0  -0.469  -7.0635  -2.0713   0.7698
 0P5  CAA  C   CH3   0  -0.439  -7.6531  -2.2107   2.0483
 0P5  CAF  C   CR16  0  -0.381  -4.8583  -2.2479   1.7568
 0P5  CAG  C   CR16  0  -0.304  -3.4863  -2.2682   1.5409
 0P5  CBD  C   CR6   0   0.406  -2.9644  -2.1522   0.2694
 0P5  OAW  O   O2    0  -0.507  -1.6115  -2.2474   0.0679
 0P5  C4   C   CR6   0   0.551  -0.9066  -1.1117  -0.1144
 0P5  C5   C   CR16  0  -0.548   0.4441  -1.2496  -0.3843
 0P5  N3   N   N     0  -0.517  -1.5408   0.0306  -0.0195
 0P5  C2   C   CR6   0   0.660  -0.7995   1.1246  -0.2232
 0P5  N    N   NT    0  -0.518  -1.4318   2.3210  -0.1409
 0P5  CA   C   CH2   0  -0.382  -0.7226   3.5429  -0.4340
 0P5  CAM  C   CH2   0  -0.332  -2.8699   2.4318  -0.0509
 0P5  CAL  C   CH2   0  -0.260  -3.2199   3.4277   1.0301
 0P5  NAS  N   NH1   0  -0.620  -2.5097   4.6701   0.8043
 0P5  C    C   C     0   0.503  -1.3514   4.7938   0.1483
 0P5  O    O   O     0  -0.508  -0.7837   5.8675  -0.0095
 0P5  N1   N   N     0  -0.547   0.5002   1.1377  -0.4894
 0P5  C6   C   CR6   0   0.561   1.1279  -0.0410  -0.5538
 0P5  NAT  N   NH1   0  -0.680   2.4599   0.0355  -0.7826
 0P5  CAN  C   CH2   0  -0.362   3.3106  -1.0837  -1.0920
 0P5  CBC  C   CR5   0   0.433   4.7042  -0.8374  -0.6178
 0P5  NAU  N   NR15  0  -0.686   4.9597  -0.2298   0.5681
 0P5  CBG  C   CR56  0   0.339   6.3191  -0.2088   0.7300
 0P5  CAI  C   CR16  0  -0.308   7.1433   0.2818   1.7359
 0P5  CAE  C   CR16  0  -0.278   8.5064   0.1224   1.5545
 0P5  CAD  C   CR16  0  -0.272   9.0270  -0.5009   0.4100
 0P5  CAH  C   CR16  0  -0.335   8.1990  -0.9839  -0.5877
 0P5  CBF  C   CR56  0   0.133   6.8223  -0.8356  -0.4227
 0P5  NAR  N   N     0  -0.476   5.7840  -1.2101  -1.2449
 0P5  H1   H   HCR6  0   0.289  -5.8702  -1.8644  -1.4566
 0P5  H2   H   HCH3  0   0.232  -7.3768  -1.3905   2.7157
 0P5  H3   H   HCH3  0   0.263  -8.7290  -2.1908   1.8952
 0P5  H4   H   HCH3  0   0.231  -7.3806  -3.1579   2.5208
 0P5  H5   H   HCR6  0   0.289  -5.2260  -2.3466   2.7686
 0P5  H6   H   HCR6  0   0.280  -2.8140  -2.3834   2.3813
 0P5  H7   H   HCR6  0   0.281   0.9028  -2.2220  -0.4743
 0P5  H8   H   HCH2  0   0.291   0.2906   3.4832  -0.0390
 0P5  H9   H   HCH2  0   0.270  -0.6244   3.7055  -1.5146
 0P5  H10  H   HCH2  0   0.248  -3.2887   2.7548  -1.0114
 0P5  H11  H   HCH2  0   0.291  -3.2926   1.4607   0.1882
 0P5  H12  H   HCH2  0   0.260  -4.2901   3.6312   1.0105
 0P5  H13  H   HCH2  0   0.244  -2.9759   3.0160   2.0134
 0P5  H14  H   HNH1  0   0.402  -2.8870   5.5113   1.2157
 0P5  H15  H   HNH1  0   0.394   2.7806   0.9469  -1.0735
 0P5  H16  H   HCH2  0   0.286   2.9361  -1.9749  -0.5850
 0P5  H17  H   HCH2  0   0.273   3.3407  -1.3123  -2.1606
 0P5  H18  H   HNR5  0   0.419   4.2673   0.1313   1.2060
 0P5  H19  H   HCR6  0   0.267   6.7433   0.7617   2.6193
 0P5  H20  H   HCR6  0   0.255   9.1865   0.4857   2.3139
 0P5  H21  H   HCR6  0   0.253  10.0996  -0.6039   0.3086
 0P5  H22  H   HCR6  0   0.255   8.6036  -1.4632  -1.4698

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
 0P5  CAE  CAD  aromatic  1.403  0.020  1.403
 0P5  CAE  CAI  aromatic  1.384  0.020  1.384
 0P5  CAD  CAH  aromatic  1.384  0.020  1.384
 0P5  CAI  CBG  aromatic  1.390  0.020  1.390
 0P5  CAH  CBF  aromatic  1.394  0.020  1.394
 0P5  CBG  CBF  aromatic  1.405  0.020  1.405
 0P5  CBG  NAU  aromatic  1.369  0.020  1.369
 0P5  CBF  NAR  aromatic  1.376  0.020  1.376
 0P5  NAU  CBC  aromatic  1.357  0.020  1.357
 0P5  NAR  CBC  aromatic  1.303  0.020  1.303
 0P5  CBC  CAN  single    1.493  0.020  1.493
 0P5  CAN  NAT  single    1.439  0.020  1.439
 0P5  NAT  C6   single    1.354  0.020  1.354
 0P5  C6   N1   aromatic  1.337  0.020  1.337
 0P5  C6   C5   aromatic  1.399  0.020  1.399
 0P5  N1   C2   aromatic  1.327  0.020  1.327
 0P5  CAM  CAL  single    1.511  0.020  1.511
 0P5  CAM  N    single    1.445  0.020  1.445
 0P5  CAL  NAS  single    1.449  0.020  1.449
 0P5  C5   C4   aromatic  1.384  0.020  1.384
 0P5  C2   N    single    1.356  0.020  1.356
 0P5  C2   N3   aromatic  1.337  0.020  1.337
 0P5  N    CA   single    1.443  0.020  1.443
 0P5  NAS  C    single    1.337  0.020  1.337
 0P5  C4   N3   aromatic  1.310  0.020  1.310
 0P5  C4   OAW  single    1.349  0.020  1.349
 0P5  OAV  CAZ  single    1.343  0.020  1.343
 0P5  OAV  CAA  single    1.415  0.020  1.415
 0P5  C    CA   single    1.516  0.020  1.516
 0P5  C    O    double    1.225  0.020  1.225
 0P5  CAZ  CAJ  aromatic  1.397  0.020  1.397
 0P5  CAZ  CAF  aromatic  1.392  0.020  1.392
 0P5  CAJ  CAY  aromatic  1.380  0.020  1.380
 0P5  CAF  CAG  aromatic  1.389  0.020  1.389
 0P5  CAY  CL1  single    1.725  0.020  1.725
 0P5  CAY  CBD  aromatic  1.390  0.020  1.390
 0P5  CAG  CBD  aromatic  1.379  0.020  1.379
 0P5  CBD  OAW  single    1.371  0.020  1.371
 0P5  CAJ  H1   single    0.930  0.020  1.080
 0P5  CAA  H2   single    0.970  0.020  1.090
 0P5  CAA  H3   single    0.970  0.020  1.090
 0P5  CAA  H4   single    0.970  0.020  1.090
 0P5  CAF  H5   single    0.930  0.020  1.080
 0P5  CAG  H6   single    0.930  0.020  1.080
 0P5  C5   H7   single    0.930  0.020  1.080
 0P5  CA   H8   single    0.970  0.020  1.090
 0P5  CA   H9   single    0.970  0.020  1.090
 0P5  CAM  H10  single    0.970  0.020  1.090
 0P5  CAM  H11  single    0.970  0.020  1.090
 0P5  CAL  H12  single    0.970  0.020  1.090
 0P5  CAL  H13  single    0.970  0.020  1.090
 0P5  NAS  H14  single    0.860  0.020  1.020
 0P5  NAT  H15  single    0.890  0.020  1.040
 0P5  CAN  H16  single    0.970  0.020  1.090
 0P5  CAN  H17  single    0.970  0.020  1.090
 0P5  NAU  H18  single    0.860  0.020  1.020
 0P5  CAI  H19  single    0.930  0.020  1.080
 0P5  CAE  H20  single    0.930  0.020  1.080
 0P5  CAD  H21  single    0.930  0.020  1.080
 0P5  CAH  H22  single    0.930  0.020  1.080

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
 0P5  CBD  CAY  CAJ  121.01  3.000
 0P5  CBD  CAY  CL1  119.24  3.000
 0P5  CAJ  CAY  CL1  119.74  3.000
 0P5  H1   CAJ  CAZ  119.83  3.000
 0P5  H1   CAJ  CAY  120.41  3.000
 0P5  CAZ  CAJ  CAY  119.76  3.000
 0P5  CAF  CAZ  OAV  124.61  3.000
 0P5  CAF  CAZ  CAJ  119.58  3.000
 0P5  OAV  CAZ  CAJ  115.81  3.000
 0P5  CAA  OAV  CAZ  118.46  3.000
 0P5  H4   CAA  H3   108.88  3.000
 0P5  H4   CAA  H2   108.87  3.000
 0P5  H3   CAA  H2   108.81  3.000
 0P5  H4   CAA  OAV  111.85  3.000
 0P5  H3   CAA  OAV  106.46  3.000
 0P5  H2   CAA  OAV  111.87  3.000
 0P5  H5   CAF  CAG  118.69  3.000
 0P5  H5   CAF  CAZ  121.65  3.000
 0P5  CAG  CAF  CAZ  119.66  3.000
 0P5  H6   CAG  CBD  119.32  3.000
 0P5  H6   CAG  CAF  119.63  3.000
 0P5  CBD  CAG  CAF  121.05  3.000
 0P5  OAW  CBD  CAG  120.20  3.000
 0P5  OAW  CBD  CAY  120.79  3.000
 0P5  CAG  CBD  CAY  118.94  3.000
 0P5  C4   OAW  CBD  118.49  3.000
 0P5  N3   C4   C5   124.99  3.000
 0P5  N3   C4   OAW  118.12  3.000
 0P5  C5   C4   OAW  116.90  3.000
 0P5  H7   C5   C6   124.10  3.000
 0P5  H7   C5   C4   121.39  3.000
 0P5  C6   C5   C4   114.49  3.000
 0P5  C2   N3   C4   115.72  3.000
 0P5  N1   C2   N    117.41  3.000
 0P5  N    C2   N3   117.02  3.000
 0P5  N1   C2   N3   125.58  3.000
 0P5  CAM  N    CA   115.90  3.000
 0P5  CA   N    C2   120.38  3.000
 0P5  CAM  N    C2   122.38  3.000
 0P5  H9   CA   H8   106.38  3.000
 0P5  H9   CA   C    107.04  3.000
 0P5  H8   CA   C    106.96  3.000
 0P5  H9   CA   N    111.69  3.000
 0P5  H8   CA   N    109.70  3.000
 0P5  C    CA   N    114.63  3.000
 0P5  H11  CAM  H10  107.92  3.000
 0P5  H11  CAM  CAL  109.99  3.000
 0P5  H10  CAM  CAL  110.13  3.000
 0P5  H11  CAM  N    109.42  3.000
 0P5  H10  CAM  N    110.37  3.000
 0P5  CAL  CAM  N    109.00  3.000
 0P5  H13  CAL  H12  107.79  3.000
 0P5  H13  CAL  NAS  110.72  3.000
 0P5  H12  CAL  NAS  108.57  3.000
 0P5  H13  CAL  CAM  110.09  3.000
 0P5  H12  CAL  CAM  109.74  3.000
 0P5  NAS  CAL  CAM  109.89  3.000
 0P5  H14  NAS  C    116.53  3.000
 0P5  H14  NAS  CAL  117.90  3.000
 0P5  C    NAS  CAL  125.48  3.000
 0P5  O    C    NAS  123.08  3.000
 0P5  O    C    CA   118.79  3.000
 0P5  NAS  C    CA   118.13  3.000
 0P5  C6   N1   C2   117.44  3.000
 0P5  NAT  C6   N1   114.85  3.000
 0P5  N1   C6   C5   121.76  3.000
 0P5  NAT  C6   C5   123.38  3.000
 0P5  H15  NAT  CAN  116.91  3.000
 0P5  H15  NAT  C6   114.36  3.000
 0P5  CAN  NAT  C6   125.02  3.000
 0P5  H17  CAN  H16  107.03  3.000
 0P5  H17  CAN  CBC  108.62  3.000
 0P5  H16  CAN  CBC  107.91  3.000
 0P5  H17  CAN  NAT  112.89  3.000
 0P5  H16  CAN  NAT  109.40  3.000
 0P5  CBC  CAN  NAT  110.81  3.000
 0P5  NAR  CBC  NAU  113.12  3.000
 0P5  NAR  CBC  CAN  125.01  3.000
 0P5  NAU  CBC  CAN  121.83  3.000
 0P5  H18  NAU  CBG  126.98  3.000
 0P5  H18  NAU  CBC  125.73  3.000
 0P5  CBG  NAU  CBC  107.29  3.000
 0P5  CBF  CBG  CAI  122.60  3.000
 0P5  CBF  CBG  NAU  104.58  3.000
 0P5  CAI  CBG  NAU  132.82  3.000
 0P5  H19  CAI  CAE  121.47  3.000
 0P5  H19  CAI  CBG  121.89  3.000
 0P5  CAE  CAI  CBG  116.64  3.000
 0P5  H20  CAE  CAD  119.22  3.000
 0P5  H20  CAE  CAI  119.22  3.000
 0P5  CAD  CAE  CAI  121.56  3.000
 0P5  H21  CAD  CAH  119.49  3.000
 0P5  H21  CAD  CAE  119.10  3.000
 0P5  CAH  CAD  CAE  121.41  3.000
 0P5  H22  CAH  CBF  120.83  3.000
 0P5  H22  CAH  CAD  121.24  3.000
 0P5  CBF  CAH  CAD  117.93  3.000
 0P5  NAR  CBF  CAH  130.18  3.000
 0P5  NAR  CBF  CBG  109.95  3.000
 0P5  CAH  CBF  CBG  119.87  3.000
 0P5  CBF  NAR  CBC  105.06  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
 0P5  CONST_01  CAF  CAZ  CAJ  CAY     0.00   0.0  0
 0P5  CONST_02  CAF  CAG  CBD  CAY     0.00   0.0  0
 0P5  CONST_03  CAG  CAF  CAZ  CAJ     0.00   0.0  0
 0P5  CONST_04  CAG  CBD  CAY  CAJ     0.00   0.0  0
 0P5  CONST_05  CBD  CAY  CAJ  CAZ     0.00   0.0  0
 0P5  CONST_06  CBD  CAG  CAF  CAZ     0.00   0.0  0
 0P5  CONST_07  N1   C6   C5   C4      0.00   0.0  0
 0P5  CONST_08  N1   C2   N3   C4      0.00   0.0  0
 0P5  CONST_09  C2   N1   C6   C5      0.00   0.0  0
 0P5  CONST_10  C2   N3   C4   C5      0.00   0.0  0
 0P5  CONST_11  C6   N1   C2   N3      0.00   0.0  0
 0P5  CONST_12  C6   C5   C4   N3      0.00   0.0  0
 0P5  CONST_13  CAI  CBG  NAU  CBC   180.00   0.0  0
 0P5  CONST_14  CBF  CBG  NAU  CBC     0.00   0.0  0
 0P5  CONST_15  CAH  CBF  NAR  CBC   180.00   0.0  0
 0P5  CONST_16  CBG  CBF  NAR  CBC     0.00   0.0  0
 0P5  CONST_17  CAE  CAI  CBG  NAU   180.00   0.0  0
 0P5  CONST_18  CAH  CBF  CBG  NAU   180.00   0.0  0
 0P5  CONST_19  NAR  CBF  CBG  NAU     0.00   0.0  0
 0P5  CONST_20  CBF  NAR  CBC  NAU     0.00   0.0  0
 0P5  CONST_21  CAD  CAE  CAI  CBG     0.00   0.0  0
 0P5  CONST_22  CAD  CAH  CBF  CBG     0.00   0.0  0
 0P5  CONST_23  NAR  CBC  NAU  CBG     0.00   0.0  0
 0P5  CONST_24  CAH  CAD  CAE  CAI     0.00   0.0  0
 0P5  CONST_25  CAH  CBF  CBG  CAI     0.00   0.0  0
 0P5  CONST_26  NAR  CBF  CBG  CAI   180.00   0.0  0
 0P5  CONST_27  CBF  CAH  CAD  CAE     0.00   0.0  0
 0P5  CONST_28  CBF  CBG  CAI  CAE     0.00   0.0  0
 0P5  CONST_29  NAR  CBF  CAH  CAD   180.00   0.0  0
 0P5  CONST_30  N    C2   N3   C4    180.00   0.0  0
 0P5  CONST_31  C6   N1   C2   N     180.00   0.0  0
 0P5  CONST_32  CAL  NAS  C    CA      0.00   0.0  0
 0P5  CONST_33  CAZ  CAJ  CAY  CL1   180.00   0.0  0
 0P5  CONST_34  CAG  CBD  CAY  CL1   180.00   0.0  0
 0P5  CONST_35  OAV  CAZ  CAJ  CAY   180.00   0.0  0
 0P5  CONST_36  OAW  CBD  CAY  CAJ   180.00   0.0  0
 0P5  CONST_37  CAG  CAF  CAZ  OAV   180.00   0.0  0
 0P5  CONST_38  OAW  CBD  CAG  CAF   180.00   0.0  0
 0P5  CONST_39  C6   C5   C4   OAW   180.00   0.0  0
 0P5  CONST_40  C2   N3   C4   OAW   180.00   0.0  0
 0P5  CONST_41  NAT  C6   C5   C4    180.00   0.0  0
 0P5  CONST_42  NAT  C6   N1   C2    180.00   0.0  0
 0P5  CONST_43  CBG  NAU  CBC  CAN   180.00   0.0  0
 0P5  CONST_44  CBF  NAR  CBC  CAN   180.00   0.0  0
 0P5  CONST_45  O    C    NAS  CAL   180.00   0.0  0
 0P5  CONST_46  H6   CAG  CBD  CAY   180.00   0.0  0
 0P5  CONST_47  H5   CAF  CAZ  CAJ   180.00   0.0  0
 0P5  CONST_48  H1   CAJ  CAZ  CAF   180.00   0.0  0
 0P5  CONST_49  H7   C5   C4   N3    180.00   0.0  0
 0P5  CONST_50  H19  CAI  CBG  NAU     0.00   0.0  0
 0P5  CONST_51  H20  CAE  CAI  CBG   180.00   0.0  0
 0P5  CONST_52  H22  CAH  CBF  CBG   180.00   0.0  0
 0P5  CONST_53  H21  CAD  CAE  CAI   180.00   0.0  0
 0P5  CONST_54  H18  NAU  CBG  CAI     0.00   0.0  0
 0P5  CONST_55  H14  NAS  C    CA    180.00   0.0  0
 0P5  CONST_56  CAN  NAT  C6   C5      0.00   0.0  0
 0P5  CONST_57  CAN  NAT  C6   N1    180.00   0.0  0
 0P5  CONST_58  H15  NAT  C6   C5    180.00   0.0  0
 0P5  Var_01    CAM  N    C2   N3     -9.65  30.0  2
 0P5  Var_02    CAL  CAM  N    C2    134.41  30.0  1
 0P5  Var_03    C    CA   N    C2   -159.38  30.0  1
 0P5  Var_04    NAS  CAL  CAM  N      52.40  30.0  1
 0P5  Var_05    NAS  C    CA   N      -3.29  30.0  1
 0P5  Var_06    C    NAS  CAL  CAM   -25.99  30.0  1
 0P5  Var_07    C5   C4   OAW  CBD  -176.73  30.0  3
 0P5  Var_08    CAF  CAZ  OAV  CAA    -0.60  30.0  2
 0P5  Var_09    CBC  CAN  NAT  C6   -151.16  30.0  1
 0P5  Var_10    NAU  CBC  CAN  NAT    39.58  30.0  3
 0P5  Var_11    H2   CAA  OAV  CAZ    62.98  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
 0P5  plan-1  CL1  0.020
 0P5  plan-1  CAY  0.020
 0P5  plan-1  CAJ  0.020
 0P5  plan-1  CAZ  0.020
 0P5  plan-1  OAV  0.020
 0P5  plan-1  CAF  0.020
 0P5  plan-1  CAG  0.020
 0P5  plan-1  CBD  0.020
 0P5  plan-1  OAW  0.020
 0P5  plan-1  H1   0.020
 0P5  plan-1  H5   0.020
 0P5  plan-1  H6   0.020
 0P5  plan-2  OAW  0.020
 0P5  plan-2  C4   0.020
 0P5  plan-2  C5   0.020
 0P5  plan-2  N3   0.020
 0P5  plan-2  C2   0.020
 0P5  plan-2  N    0.020
 0P5  plan-2  N1   0.020
 0P5  plan-2  C6   0.020
 0P5  plan-2  NAT  0.020
 0P5  plan-2  H7   0.020
 0P5  plan-3  CAN  0.020
 0P5  plan-3  CBC  0.020
 0P5  plan-3  NAU  0.020
 0P5  plan-3  CBG  0.020
 0P5  plan-3  CAI  0.020
 0P5  plan-3  CAE  0.020
 0P5  plan-3  CAD  0.020
 0P5  plan-3  CAH  0.020
 0P5  plan-3  CBF  0.020
 0P5  plan-3  NAR  0.020
 0P5  plan-3  H18  0.020
 0P5  plan-3  H19  0.020
 0P5  plan-3  H20  0.020
 0P5  plan-3  H21  0.020
 0P5  plan-3  H22  0.020
 0P5  plan-4  C6   0.020
 0P5  plan-4  NAT  0.020
 0P5  plan-4  CAN  0.020
 0P5  plan-4  H15  0.020
 0P5  plan-5  CA   0.020
 0P5  plan-5  CAL  0.020
 0P5  plan-5  NAS  0.020
 0P5  plan-5  C    0.020
 0P5  plan-5  O    0.020
 0P5  plan-5  H14  0.020

