# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Apr 29 02:26:24 2020
#   Inital geometry file: a 146 line input string
#   Ligand name: 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1cc2ncnc(N3CCC[C@H](C3)c4ccccc4)c2cc1OCCc5ccccn5
#
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
 PFR  PFR  7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline  ligand  61  33  .  2021-08-19  2021-08-19  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_PFR
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
 PFR  C1    C  CR6   0   0.334  -2.9986  -2.2987  -0.7480
 PFR  C2    C  CR6   0   0.342  -2.1847  -1.1816  -0.3762
 PFR  C3    C  CR16  0  -0.457  -1.0284  -1.3872   0.3237
 PFR  C4    C  CR16  0  -0.467  -2.6413  -3.5624  -0.3559
 PFR  C5    C  CR66  0   0.239  -1.4569  -3.7802   0.3831
 PFR  C6    C  CR66  0  -0.009  -0.6134  -2.6932   0.6709
 PFR  C7    C  CR6   0   0.505   0.5916  -3.0012   1.3794
 PFR  N8    N  N     0  -0.469   0.7790  -4.2139   1.8678
 PFR  C9    C  CR16  0   0.030  -0.1289  -5.1532   1.5803
 PFR  N10   N  N     0  -0.458  -1.1915  -5.0324   0.8343
 PFR  O11   O  O2    0  -0.452  -4.0908  -1.9856  -1.4478
 PFR  O12   O  O2    0  -0.463  -2.6579   0.0156  -0.7548
 PFR  C13   C  CH3   0  -0.442  -4.9540  -3.0338  -1.8508
 PFR  N14   N  NT    0  -0.492   1.5414  -2.0512   1.6122
 PFR  C15   C  CH2   0  -0.298   2.5249  -2.2509   2.6650
 PFR  C16   C  CH2   0  -0.443   2.8987  -0.8993   3.2594
 PFR  C17   C  CH2   0  -0.419   3.3821   0.0821   2.1989
 PFR  C18   C  CH1   0  -0.359   2.3672   0.1937   1.0573
 PFR  C19   C  CH2   0  -0.315   2.0435  -1.2075   0.5356
 PFR  C20   C  CR6   0   0.199   2.8294   1.0957  -0.0562
 PFR  C21   C  CR16  0  -0.323   4.0094   0.8364  -0.7542
 PFR  C22   C  CR16  0  -0.236   4.4238   1.6659  -1.7867
 PFR  C23   C  CR16  0  -0.275   3.6651   2.7747  -2.1404
 PFR  C24   C  CR16  0  -0.230   2.4901   3.0442  -1.4536
 PFR  C25   C  CR16  0  -0.341   2.0781   2.2101  -0.4221
 PFR  C26   C  CH2   0  -0.178  -1.8563   1.1563  -0.5029
 PFR  C27   C  CH2   0  -0.521  -2.5564   2.3650  -1.0972
 PFR  C28   C  CR6   0   0.244  -1.7565   3.6115  -0.8401
 PFR  N29   N  N     0  -0.424  -1.6292   3.9869   0.4319
 PFR  C30   C  CR16  0  -0.078  -0.9176   5.0724   0.7062
 PFR  C31   C  CR16  0  -0.328  -0.3000   5.8479  -0.2642
 PFR  C32   C  CR16  0  -0.156  -0.4322   5.4603  -1.5882
 PFR  C33   C  CR16  0  -0.341  -1.1660   4.3209  -1.8810
 PFR  H3    H  HCR6  0   0.295  -0.4459  -0.5426   0.6612
 PFR  H4    H  HCR6  0   0.286  -3.2575  -4.4225  -0.5803
 PFR  H9    H  HCR6  0   0.246   0.0656  -6.1344   2.0023
 PFR  H13   H  HCH3  0   0.235  -4.4425  -3.7522  -2.4957
 PFR  H13A  H  HCH3  0   0.235  -5.3737  -3.5634  -0.9925
 PFR  H13B  H  HCH3  0   0.267  -5.7611  -2.5687  -2.4101
 PFR  H15   H  HCH2  0   0.259   2.1037  -2.8942   3.4342
 PFR  H15A  H  HCH2  0   0.221   3.4174  -2.7567   2.2726
 PFR  H16   H  HCH2  0   0.226   2.0239  -0.4865   3.7700
 PFR  H16A  H  HCH2  0   0.243   3.6705  -1.0458   4.0177
 PFR  H17   H  HCH2  0   0.247   3.5546   1.0655   2.6415
 PFR  H17A  H  HCH2  0   0.224   4.3449  -0.2554   1.8007
 PFR  H18   H  HCH1  0   0.249   1.4402   0.6095   1.4713
 PFR  H19   H  HCH2  0   0.251   2.9536  -1.6667   0.1243
 PFR  H19A  H  HCH2  0   0.280   1.3312  -1.1618  -0.2845
 PFR  H21   H  HCR6  0   0.249   4.6191  -0.0196  -0.4891
 PFR  H22   H  HCR6  0   0.255   5.3433   1.4463  -2.3140
 PFR  H23   H  HCR6  0   0.254   3.9895   3.4233  -2.9439
 PFR  H24   H  HCR6  0   0.257   1.8895   3.9040  -1.7197
 PFR  H25   H  HCR6  0   0.237   1.1592   2.4362   0.1085
 PFR  H26   H  HCH2  0   0.234  -1.7156   1.2971   0.5744
 PFR  H26A  H  HCH2  0   0.225  -0.8672   1.0274  -0.9599
 PFR  H27   H  HCH2  0   0.260  -2.6942   2.2238  -2.1703
 PFR  H27A  H  HCH2  0   0.265  -3.5463   2.4691  -0.6457
 PFR  H30   H  HCR6  0   0.264  -0.8367   5.3436   1.7532
 PFR  H31   H  HCR6  0   0.270   0.2641   6.7269   0.0147
 PFR  H32   H  HCR6  0   0.280   0.0313   6.0328  -2.3813
 PFR  H33   H  HCR6  0   0.268  -1.2840   3.9858  -2.9030

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
 PFR  C2   C1    aromatic  1.431  0.020  1.431
 PFR  O11  C1    single    1.334  0.020  1.334
 PFR  C1   C4    aromatic  1.370  0.020  1.370
 PFR  O12  C2    single    1.342  0.020  1.342
 PFR  C2   C3    aromatic  1.367  0.020  1.367
 PFR  C3   C6    aromatic  1.414  0.020  1.414
 PFR  C3   H3    single    0.930  0.020  1.080
 PFR  C4   C5    aromatic  1.413  0.020  1.413
 PFR  C4   H4    single    0.930  0.020  1.080
 PFR  C6   C5    aromatic  1.406  0.020  1.406
 PFR  C5   N10   aromatic  1.357  0.020  1.357
 PFR  C6   C7    aromatic  1.431  0.020  1.431
 PFR  N14  C7    single    1.363  0.020  1.363
 PFR  C7   N8    aromatic  1.321  0.020  1.321
 PFR  N8   C9    aromatic  1.338  0.020  1.338
 PFR  N10  C9    aromatic  1.304  0.020  1.304
 PFR  C9   H9    single    0.930  0.020  1.080
 PFR  O11  C13   single    1.416  0.020  1.416
 PFR  C26  O12   single    1.417  0.020  1.417
 PFR  C13  H13   single    0.970  0.020  1.090
 PFR  C13  H13A  single    0.970  0.020  1.090
 PFR  C13  H13B  single    0.970  0.020  1.090
 PFR  C19  N14   single    1.457  0.020  1.457
 PFR  N14  C15   single    1.454  0.020  1.454
 PFR  C16  C15   single    1.523  0.020  1.523
 PFR  C15  H15   single    0.970  0.020  1.090
 PFR  C15  H15A  single    0.970  0.020  1.090
 PFR  C17  C16   single    1.524  0.020  1.524
 PFR  C16  H16   single    0.970  0.020  1.090
 PFR  C16  H16A  single    0.970  0.020  1.090
 PFR  C18  C17   single    1.532  0.020  1.532
 PFR  C17  H17   single    0.970  0.020  1.090
 PFR  C17  H17A  single    0.970  0.020  1.090
 PFR  C20  C18   single    1.506  0.020  1.506
 PFR  C18  C19   single    1.530  0.020  1.530
 PFR  C18  H18   single    0.970  0.020  1.090
 PFR  C19  H19   single    0.970  0.020  1.090
 PFR  C19  H19A  single    0.970  0.020  1.090
 PFR  C21  C20   aromatic  1.395  0.020  1.395
 PFR  C20  C25   aromatic  1.393  0.020  1.393
 PFR  C22  C21   aromatic  1.388  0.020  1.388
 PFR  C21  H21   single    0.930  0.020  1.080
 PFR  C22  C23   aromatic  1.389  0.020  1.389
 PFR  C22  H22   single    0.930  0.020  1.080
 PFR  C23  C24   aromatic  1.387  0.020  1.387
 PFR  C23  H23   single    0.930  0.020  1.080
 PFR  C24  C25   aromatic  1.389  0.020  1.389
 PFR  C24  H24   single    0.930  0.020  1.080
 PFR  C25  H25   single    0.930  0.020  1.080
 PFR  C27  C26   single    1.518  0.020  1.518
 PFR  C26  H26   single    0.970  0.020  1.090
 PFR  C26  H26A  single    0.970  0.020  1.090
 PFR  C28  C27   single    1.503  0.020  1.503
 PFR  C27  H27   single    0.970  0.020  1.090
 PFR  C27  H27A  single    0.970  0.020  1.090
 PFR  C33  C28   aromatic  1.391  0.020  1.391
 PFR  N29  C28   aromatic  1.332  0.020  1.332
 PFR  C30  N29   aromatic  1.327  0.020  1.327
 PFR  C31  C30   aromatic  1.387  0.020  1.387
 PFR  C30  H30   single    0.930  0.020  1.080
 PFR  C31  C32   aromatic  1.386  0.020  1.386
 PFR  C31  H31   single    0.930  0.020  1.080
 PFR  C32  C33   aromatic  1.387  0.020  1.387
 PFR  C32  H32   single    0.930  0.020  1.080
 PFR  C33  H33   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
 PFR  O11   C1   C4    125.44  3.000
 PFR  C4    C1   C2    119.81  3.000
 PFR  O11   C1   C2    114.74  3.000
 PFR  O12   C2   C3    125.23  3.000
 PFR  C3    C2   C1    119.77  3.000
 PFR  O12   C2   C1    115.00  3.000
 PFR  H3    C3   C6    119.17  3.000
 PFR  H3    C3   C2    119.90  3.000
 PFR  C6    C3   C2    120.86  3.000
 PFR  H4    C4   C5    117.61  3.000
 PFR  H4    C4   C1    121.69  3.000
 PFR  C5    C4   C1    120.69  3.000
 PFR  N10   C5   C6    121.88  3.000
 PFR  N10   C5   C4    118.69  3.000
 PFR  C6    C5   C4    119.40  3.000
 PFR  C7    C6   C5    116.11  3.000
 PFR  C7    C6   C3    124.57  3.000
 PFR  C5    C6   C3    119.21  3.000
 PFR  N14   C7   N8    118.54  3.000
 PFR  N8    C7   C6    120.00  3.000
 PFR  N14   C7   C6    121.41  3.000
 PFR  C9    N8   C7    117.97  3.000
 PFR  H9    C9   N10   116.87  3.000
 PFR  H9    C9   N8    115.44  3.000
 PFR  N10   C9   N8    127.67  3.000
 PFR  C9    N10  C5    115.79  3.000
 PFR  C13   O11  C1    118.32  3.000
 PFR  C26   O12  C2    117.95  3.000
 PFR  H13B  C13  H13A  109.06  3.000
 PFR  H13B  C13  H13   108.99  3.000
 PFR  H13A  C13  H13   108.96  3.000
 PFR  H13B  C13  O11   106.41  3.000
 PFR  H13A  C13  O11   111.68  3.000
 PFR  H13   C13  O11   111.67  3.000
 PFR  C19   N14  C15   112.42  3.000
 PFR  C15   N14  C7    119.93  3.000
 PFR  C19   N14  C7    121.16  3.000
 PFR  H15A  C15  H15   107.16  3.000
 PFR  H15A  C15  C16   110.41  3.000
 PFR  H15   C15  C16   110.11  3.000
 PFR  H15A  C15  N14   110.74  3.000
 PFR  H15   C15  N14   109.35  3.000
 PFR  C16   C15  N14   109.06  3.000
 PFR  H16A  C16  H16   106.97  3.000
 PFR  H16A  C16  C17   110.22  3.000
 PFR  H16   C16  C17   109.61  3.000
 PFR  H16A  C16  C15   108.99  3.000
 PFR  H16   C16  C15   108.71  3.000
 PFR  C17   C16  C15   112.20  3.000
 PFR  H17A  C17  H17   106.62  3.000
 PFR  H17A  C17  C18   109.51  3.000
 PFR  H17   C17  C18   109.95  3.000
 PFR  H17A  C17  C16   109.48  3.000
 PFR  H17   C17  C16   110.37  3.000
 PFR  C18   C17  C16   110.82  3.000
 PFR  H18   C18  C20   108.14  3.000
 PFR  H18   C18  C19   107.28  3.000
 PFR  C20   C18  C19   111.19  3.000
 PFR  H18   C18  C17   107.83  3.000
 PFR  C19   C18  C17   109.13  3.000
 PFR  C20   C18  C17   113.04  3.000
 PFR  H19A  C19  H19   106.13  3.000
 PFR  H19A  C19  C18   110.94  3.000
 PFR  H19   C19  C18   109.58  3.000
 PFR  H19A  C19  N14   110.85  3.000
 PFR  H19   C19  N14   108.66  3.000
 PFR  C18   C19  N14   110.57  3.000
 PFR  C25   C20  C21   118.26  3.000
 PFR  C25   C20  C18   120.53  3.000
 PFR  C21   C20  C18   121.21  3.000
 PFR  H21   C21  C22   119.08  3.000
 PFR  H21   C21  C20   120.01  3.000
 PFR  C22   C21  C20   120.91  3.000
 PFR  H22   C22  C23   120.12  3.000
 PFR  H22   C22  C21   119.66  3.000
 PFR  C23   C22  C21   120.22  3.000
 PFR  H23   C23  C24   120.32  3.000
 PFR  H23   C23  C22   120.24  3.000
 PFR  C24   C23  C22   119.44  3.000
 PFR  H24   C24  C25   119.68  3.000
 PFR  H24   C24  C23   120.18  3.000
 PFR  C25   C24  C23   120.14  3.000
 PFR  H25   C25  C24   119.29  3.000
 PFR  H25   C25  C20   119.68  3.000
 PFR  C24   C25  C20   121.03  3.000
 PFR  H26A  C26  H26   108.00  3.000
 PFR  H26A  C26  C27   110.25  3.000
 PFR  H26   C26  C27   109.99  3.000
 PFR  H26A  C26  O12   109.96  3.000
 PFR  H26   C26  O12   110.55  3.000
 PFR  C27   C26  O12   108.09  3.000
 PFR  H27A  C27  H27   107.71  3.000
 PFR  H27A  C27  C28   109.41  3.000
 PFR  H27   C27  C28   110.05  3.000
 PFR  H27A  C27  C26   109.37  3.000
 PFR  H27   C27  C26   109.89  3.000
 PFR  C28   C27  C26   110.36  3.000
 PFR  C33   C28  N29   122.02  3.000
 PFR  N29   C28  C27   116.60  3.000
 PFR  C33   C28  C27   121.38  3.000
 PFR  C30   N29  C28   118.64  3.000
 PFR  H30   C30  C31   120.15  3.000
 PFR  H30   C30  N29   116.37  3.000
 PFR  C31   C30  N29   123.47  3.000
 PFR  H31   C31  C32   121.58  3.000
 PFR  H31   C31  C30   120.42  3.000
 PFR  C32   C31  C30   118.00  3.000
 PFR  H32   C32  C33   120.43  3.000
 PFR  H32   C32  C31   120.75  3.000
 PFR  C33   C32  C31   118.82  3.000
 PFR  H33   C33  C32   120.77  3.000
 PFR  H33   C33  C28   120.17  3.000
 PFR  C32   C33  C28   119.05  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
 PFR  CONST_01  C6   C3   C2   C1      0.00   0.0  0
 PFR  CONST_02  C6   C5   C4   C1      0.00   0.0  0
 PFR  CONST_03  N10  C5   C4   C1    180.00   0.0  0
 PFR  CONST_04  C5   C4   C1   C2      0.00   0.0  0
 PFR  CONST_05  C5   C6   C3   C2      0.00   0.0  0
 PFR  CONST_06  C7   C6   C3   C2    180.00   0.0  0
 PFR  CONST_07  C4   C1   C2   C3      0.00   0.0  0
 PFR  CONST_08  C4   C5   C6   C3      0.00   0.0  0
 PFR  CONST_09  N10  C5   C6   C3    180.00   0.0  0
 PFR  CONST_10  N8   C7   C6   C3    180.00   0.0  0
 PFR  CONST_11  C7   C6   C5   C4    180.00   0.0  0
 PFR  CONST_12  C9   N10  C5   C4    180.00   0.0  0
 PFR  CONST_13  N8   C7   C6   C5      0.00   0.0  0
 PFR  CONST_14  N8   C9   N10  C5      0.00   0.0  0
 PFR  CONST_15  C9   N10  C5   C6      0.00   0.0  0
 PFR  CONST_16  C9   N8   C7   C6      0.00   0.0  0
 PFR  CONST_17  N10  C5   C6   C7      0.00   0.0  0
 PFR  CONST_18  N10  C9   N8   C7      0.00   0.0  0
 PFR  CONST_19  C23  C22  C21  C20     0.00   0.0  0
 PFR  CONST_20  C23  C24  C25  C20     0.00   0.0  0
 PFR  CONST_21  C24  C25  C20  C21     0.00   0.0  0
 PFR  CONST_22  C24  C23  C22  C21     0.00   0.0  0
 PFR  CONST_23  C25  C20  C21  C22     0.00   0.0  0
 PFR  CONST_24  C25  C24  C23  C22     0.00   0.0  0
 PFR  CONST_25  C31  C32  C33  C28     0.00   0.0  0
 PFR  CONST_26  C31  C30  N29  C28     0.00   0.0  0
 PFR  CONST_27  C32  C33  C28  N29     0.00   0.0  0
 PFR  CONST_28  C32  C31  C30  N29     0.00   0.0  0
 PFR  CONST_29  C33  C28  N29  C30     0.00   0.0  0
 PFR  CONST_30  C33  C32  C31  C30     0.00   0.0  0
 PFR  CONST_31  N14  C7   C6   C3      0.00   0.0  0
 PFR  CONST_32  N14  C7   C6   C5    180.00   0.0  0
 PFR  CONST_33  N14  C7   N8   C9    180.00   0.0  0
 PFR  CONST_34  C22  C21  C20  C18   180.00   0.0  0
 PFR  CONST_35  C24  C25  C20  C18   180.00   0.0  0
 PFR  CONST_36  O11  C1   C2   C3    180.00   0.0  0
 PFR  CONST_37  O12  C2   C1   C4    180.00   0.0  0
 PFR  CONST_38  O11  C1   C4   C5    180.00   0.0  0
 PFR  CONST_39  O12  C2   C3   C6    180.00   0.0  0
 PFR  CONST_40  C32  C33  C28  C27   180.00   0.0  0
 PFR  CONST_41  C30  N29  C28  C27   180.00   0.0  0
 PFR  CONST_42  H3   C3   C2   C1    180.00   0.0  0
 PFR  CONST_43  H4   C4   C1   C2    180.00   0.0  0
 PFR  CONST_44  H9   C9   N10  C5    180.00   0.0  0
 PFR  CONST_45  H21  C21  C20  C18     0.00   0.0  0
 PFR  CONST_46  H25  C25  C20  C18     0.00   0.0  0
 PFR  CONST_47  H22  C22  C21  C20   180.00   0.0  0
 PFR  CONST_48  H24  C24  C25  C20   180.00   0.0  0
 PFR  CONST_49  H23  C23  C22  C21   180.00   0.0  0
 PFR  CONST_50  H32  C32  C33  C28   180.00   0.0  0
 PFR  CONST_51  H30  C30  N29  C28   180.00   0.0  0
 PFR  CONST_52  H33  C33  C28  N29   180.00   0.0  0
 PFR  CONST_53  H31  C31  C30  N29   180.00   0.0  0
 PFR  Var_01    C19  N14  C7   C6    -49.97  30.0  1
 PFR  Var_02    C18  C19  N14  C7    145.73  30.0  1
 PFR  Var_03    C16  C15  N14  C7   -147.78  30.0  1
 PFR  Var_04    C17  C16  C15  N14   -55.07  30.0  1
 PFR  Var_05    C18  C17  C16  C15    52.80  30.0  1
 PFR  Var_06    C33  C28  C27  C26   113.73  30.0  2
 PFR  Var_07    C27  C26  O12  C2    176.33  30.0  1
 PFR  Var_08    C28  C27  C26  O12   179.16  30.0  2
 PFR  Var_09    H13  C13  O11  C1    -60.48  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
 PFR  chir_01  C18  C17  C20  C19  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
 PFR  plan-1  C18  0.020
 PFR  plan-1  C20  0.020
 PFR  plan-1  C21  0.020
 PFR  plan-1  C22  0.020
 PFR  plan-1  C23  0.020
 PFR  plan-1  C24  0.020
 PFR  plan-1  C25  0.020
 PFR  plan-1  H21  0.020
 PFR  plan-1  H22  0.020
 PFR  plan-1  H23  0.020
 PFR  plan-1  H24  0.020
 PFR  plan-1  H25  0.020
 PFR  plan-2  C27  0.020
 PFR  plan-2  C28  0.020
 PFR  plan-2  N29  0.020
 PFR  plan-2  C30  0.020
 PFR  plan-2  C31  0.020
 PFR  plan-2  C32  0.020
 PFR  plan-2  C33  0.020
 PFR  plan-2  H30  0.020
 PFR  plan-2  H31  0.020
 PFR  plan-2  H32  0.020
 PFR  plan-2  H33  0.020
 PFR  plan-3  C1   0.020
 PFR  plan-3  C2   0.020
 PFR  plan-3  C3   0.020
 PFR  plan-3  C4   0.020
 PFR  plan-3  C5   0.020
 PFR  plan-3  C6   0.020
 PFR  plan-3  C7   0.020
 PFR  plan-3  N8   0.020
 PFR  plan-3  C9   0.020
 PFR  plan-3  N10  0.020
 PFR  plan-3  O11  0.020
 PFR  plan-3  O12  0.020
 PFR  plan-3  N14  0.020
 PFR  plan-3  H3   0.020
 PFR  plan-3  H4   0.020
 PFR  plan-3  H9   0.020

