# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Apr 14 03:13:09 2020
#   Inital geometry file: a 157 line input string
#   Ligand name: (3Z)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: N[C@H](COc1cncc(c1)c2ccc3NC(=O)\C(=C/c4[nH]ccc4)c3c2)Cc5c[nH]c6ccccc56
#
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
 A53  A53  (3Z)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one  ligand  61  36  .  2021-08-06  2021-08-06  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as GRAND
;

data_comp_A53
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
 A53  C1    C  CR5   0   0.339    8.0422  -1.1977  -0.0334
 A53  C2    C  CR15  0  -0.326    8.4912  -2.4067  -0.5703
 A53  C3    C  CR15  0  -0.359    9.8604  -2.5031  -0.3078
 A53  C4    C  CR15  0  -0.028   10.2177  -1.3542   0.3836
 A53  N5    N  NR15  0  -0.660    9.1277  -0.5890   0.5383
 A53  C6    C  C1    0  -0.369    6.7168  -0.7000  -0.0771
 A53  C7    C  CR5   0  -0.075    6.1552   0.4487   0.3864
 A53  C8    C  CR5   0   0.539    6.8042   1.5689   1.0999
 A53  N9    N  NR15  0  -0.762    5.8261   2.4919   1.3309
 A53  C10   C  CR56  0   0.374    4.5982   2.0779   0.8490
 A53  C11   C  CR56  0   0.115    4.7537   0.8193   0.2548
 A53  O12   O  O     0  -0.490    7.9737   1.7086   1.4449
 A53  C13   C  CR16  0  -0.282    3.3744   2.7151   0.8974
 A53  C14   C  CR16  0  -0.329    2.2839   2.0616   0.3364
 A53  C15   C  CR6   0   0.085    2.4043   0.8020  -0.2584
 A53  C16   C  CR16  0  -0.444    3.6572   0.1817  -0.2963
 A53  C17   C  CR6   0   0.026    1.2236   0.1335  -0.8345
 A53  C18   C  CR16  0  -0.131    1.3232  -0.6440  -1.9934
 A53  N19   N  N     0  -0.382    0.2935  -1.2641  -2.5391
 A53  C20   C  CR16  0  -0.198   -0.9074  -1.1521  -1.9819
 A53  C21   C  CR6   0   0.346   -1.1237  -0.3918  -0.8331
 A53  C22   C  CR16  0  -0.326   -0.0315   0.2506  -0.2557
 A53  O23   O  O2    0  -0.466   -2.3087  -0.2349  -0.2267
 A53  C24   C  CH2   0  -0.169   -3.4440  -0.8936  -0.7613
 A53  C25   C  CH1   0  -0.129   -4.6611  -0.5138   0.0625
 A53  C26   C  CH2   0  -0.549   -5.8379  -1.4211  -0.3464
 A53  N27   N  NH2   0  -0.784   -4.9084   0.9110  -0.0589
 A53  C28   C  CR5   0   0.017   -7.0953  -1.1206   0.4005
 A53  C29   C  CR15  0  -0.081   -7.4925  -1.6668   1.5895
 A53  N30   N  NR15  0  -0.685   -8.6805  -1.1213   1.9885
 A53  C31   C  CR56  0   0.352   -9.0895  -0.2054   1.0654
 A53  C32   C  CR56  0   0.018   -8.1119  -0.1740   0.0450
 A53  C33   C  CR16  0  -0.305  -10.2280   0.5992   1.0276
 A53  C34   C  CR16  0  -0.286  -10.3781   1.4420  -0.0568
 A53  C35   C  CR16  0  -0.268   -9.4209   1.4862  -1.0850
 A53  C36   C  CR16  0  -0.378   -8.2939   0.6898  -1.0419
 A53  H2    H  HCR5  0   0.263    7.8746  -3.1226  -1.0920
 A53  H3    H  HCR5  0   0.258   10.5249  -3.3058  -0.5838
 A53  H4    H  HCR5  0   0.283   11.1761  -1.0463   0.7688
 A53  HN5   H  HNR5  0   0.433    9.0620   0.3159   1.0018
 A53  H6    H  H     0   0.271    6.0403  -1.3801  -0.5858
 A53  HN9   H  HNR5  0   0.414    5.9901   3.3562   1.8242
 A53  H13   H  HCR6  0   0.271    3.2602   3.6908   1.3507
 A53  H14   H  HCR6  0   0.259    1.3218   2.5575   0.3516
 A53  H16   H  HCR6  0   0.253    3.7621  -0.8044  -0.7334
 A53  H18   H  HCR6  0   0.256    2.2758  -0.7485  -2.5017
 A53  H20   H  HCR6  0   0.277   -1.7138  -1.6838  -2.4726
 A53  H22   H  HCR6  0   0.271   -0.1748   0.8251   0.6521
 A53  H241  H  HCH2  0   0.233   -3.2981  -1.9797  -0.7383
 A53  H242  H  HCH2  0   0.224   -3.6000  -0.6025  -1.8080
 A53  H25   H  HCH1  0   0.240   -4.4393  -0.7206   1.1149
 A53  H261  H  HCH2  0   0.235   -6.0125  -1.3150  -1.4232
 A53  H262  H  HCH2  0   0.245   -5.5541  -2.4644  -0.1823
 A53  H271  H  HNH2  0   0.336   -5.2172   1.1277  -1.0006
 A53  H272  H  HNH2  0   0.355   -5.6707   1.1775   0.5516
 A53  H29   H  HCR5  0   0.280   -7.0090  -2.4223   2.1897
 A53  H30   H  HNR5  0   0.408   -9.1771  -1.3752   2.8257
 A53  H33   H  HCR6  0   0.258  -10.9672   0.5651   1.8178
 A53  H34   H  HCR6  0   0.248  -11.2510   2.0792  -0.1168
 A53  H35   H  HCR6  0   0.245   -9.5729   2.1572  -1.9207
 A53  H36   H  HCR6  0   0.237   -7.5641   0.7325  -1.8421

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
 A53  C1   C2    aromatic  1.397  0.020  1.397
 A53  C1   N5    aromatic  1.370  0.020  1.370
 A53  C1   C6    single    1.416  0.020  1.416
 A53  C2   C3    aromatic  1.397  0.020  1.397
 A53  C2   H2    single    0.930  0.020  1.080
 A53  C3   C4    aromatic  1.388  0.020  1.388
 A53  C3   H3    single    0.930  0.020  1.080
 A53  C4   N5    aromatic  1.341  0.020  1.341
 A53  C4   H4    single    0.930  0.020  1.080
 A53  N5   HN5   single    0.860  0.020  1.020
 A53  C6   C7    double    1.360  0.020  1.360
 A53  C6   H6    single    0.930  0.020  1.080
 A53  C7   C8    single    1.478  0.020  1.478
 A53  C7   C11   single    1.456  0.020  1.456
 A53  C8   N9    single    1.364  0.020  1.364
 A53  C8   O12   double    1.227  0.020  1.227
 A53  N9   C10   single    1.383  0.020  1.383
 A53  N9   HN9   single    0.860  0.020  1.020
 A53  C10  C11   aromatic  1.400  0.020  1.400
 A53  C10  C13   aromatic  1.381  0.020  1.381
 A53  C11  C16   aromatic  1.383  0.020  1.383
 A53  C13  C14   aromatic  1.390  0.020  1.390
 A53  C13  H13   single    0.930  0.020  1.080
 A53  C14  C15   aromatic  1.398  0.020  1.398
 A53  C14  H14   single    0.930  0.020  1.080
 A53  C15  C16   aromatic  1.399  0.020  1.399
 A53  C15  C17   single    1.474  0.020  1.474
 A53  C16  H16   single    0.930  0.020  1.080
 A53  C17  C18   aromatic  1.399  0.020  1.399
 A53  C17  C22   aromatic  1.387  0.020  1.387
 A53  C18  N19   aromatic  1.320  0.020  1.320
 A53  C18  H18   single    0.930  0.020  1.080
 A53  N19  C20   aromatic  1.329  0.020  1.329
 A53  C20  C21   aromatic  1.394  0.020  1.394
 A53  C20  H20   single    0.930  0.020  1.080
 A53  C21  C22   aromatic  1.393  0.020  1.393
 A53  C21  O23   single    1.340  0.020  1.340
 A53  C22  H22   single    0.930  0.020  1.080
 A53  O23  C24   single    1.417  0.020  1.417
 A53  C24  C25   single    1.518  0.020  1.518
 A53  C24  H241  single    0.970  0.020  1.090
 A53  C24  H242  single    0.970  0.020  1.090
 A53  C25  C26   single    1.541  0.020  1.541
 A53  C25  N27   single    1.451  0.020  1.451
 A53  C25  H25   single    0.970  0.020  1.090
 A53  C26  C28   single    1.493  0.020  1.493
 A53  C26  H261  single    0.970  0.020  1.090
 A53  C26  H262  single    0.970  0.020  1.090
 A53  N27  H271  single    0.890  0.020  1.040
 A53  N27  H272  single    0.890  0.020  1.040
 A53  C28  C29   aromatic  1.367  0.020  1.367
 A53  C28  C32   aromatic  1.434  0.020  1.434
 A53  C29  N30   aromatic  1.367  0.020  1.367
 A53  C29  H29   single    0.930  0.020  1.080
 A53  N30  C31   aromatic  1.363  0.020  1.363
 A53  N30  H30   single    0.860  0.020  1.020
 A53  C31  C32   aromatic  1.413  0.020  1.413
 A53  C31  C33   aromatic  1.395  0.020  1.395
 A53  C32  C36   aromatic  1.400  0.020  1.400
 A53  C33  C34   aromatic  1.382  0.020  1.382
 A53  C33  H33   single    0.930  0.020  1.080
 A53  C34  C35   aromatic  1.406  0.020  1.406
 A53  C34  H34   single    0.930  0.020  1.080
 A53  C35  C36   aromatic  1.381  0.020  1.381
 A53  C35  H35   single    0.930  0.020  1.080
 A53  C36  H36   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
 A53  C6    C1   N5    126.75  3.000
 A53  C6    C1   C2    126.37  3.000
 A53  N5    C1   C2    106.88  3.000
 A53  H2    C2   C3    127.21  3.000
 A53  H2    C2   C1    125.18  3.000
 A53  C3    C2   C1    107.60  3.000
 A53  H3    C3   C4    125.83  3.000
 A53  H3    C3   C2    127.39  3.000
 A53  C4    C3   C2    106.78  3.000
 A53  H4    C4   N5    121.25  3.000
 A53  H4    C4   C3    130.05  3.000
 A53  N5    C4   C3    108.70  3.000
 A53  HN5   N5   C4    127.72  3.000
 A53  HN5   N5   C1    122.25  3.000
 A53  C4    N5   C1    110.03  3.000
 A53  H6    C6   C7    115.55  3.000
 A53  H6    C6   C1    112.17  3.000
 A53  C7    C6   C1    132.28  3.000
 A53  C11   C7   C8    105.86  3.000
 A53  C11   C7   C6    125.58  3.000
 A53  C8    C7   C6    128.55  3.000
 A53  O12   C8   N9    123.95  3.000
 A53  O12   C8   C7    129.81  3.000
 A53  N9    C8   C7    106.24  3.000
 A53  HN9   N9   C10   124.86  3.000
 A53  HN9   N9   C8    123.08  3.000
 A53  C10   N9   C8    112.03  3.000
 A53  C13   C10  C11   121.88  3.000
 A53  C13   C10  N9    129.56  3.000
 A53  C11   C10  N9    108.56  3.000
 A53  C16   C11  C10   119.69  3.000
 A53  C16   C11  C7    133.00  3.000
 A53  C10   C11  C7    107.30  3.000
 A53  H13   C13  C14   120.69  3.000
 A53  H13   C13  C10   121.63  3.000
 A53  C14   C13  C10   117.68  3.000
 A53  H14   C14  C15   119.69  3.000
 A53  H14   C14  C13   118.45  3.000
 A53  C15   C14  C13   121.86  3.000
 A53  C17   C15  C16   120.39  3.000
 A53  C17   C15  C14   120.38  3.000
 A53  C16   C15  C14   119.23  3.000
 A53  H16   C16  C15   120.08  3.000
 A53  H16   C16  C11   120.24  3.000
 A53  C15   C16  C11   119.67  3.000
 A53  C22   C17  C18   117.19  3.000
 A53  C22   C17  C15   121.56  3.000
 A53  C18   C17  C15   121.25  3.000
 A53  H18   C18  N19   116.49  3.000
 A53  H18   C18  C17   120.28  3.000
 A53  N19   C18  C17   123.22  3.000
 A53  C20   N19  C18   119.48  3.000
 A53  H20   C20  C21   121.69  3.000
 A53  H20   C20  N19   116.19  3.000
 A53  C21   C20  N19   122.12  3.000
 A53  O23   C21  C22   116.86  3.000
 A53  O23   C21  C20   125.01  3.000
 A53  C22   C21  C20   118.13  3.000
 A53  H22   C22  C21   119.22  3.000
 A53  H22   C22  C17   120.93  3.000
 A53  C21   C22  C17   119.85  3.000
 A53  C24   O23  C21   118.89  3.000
 A53  H242  C24  H241  107.56  3.000
 A53  H242  C24  C25   109.71  3.000
 A53  H241  C24  C25   110.08  3.000
 A53  H242  C24  O23   110.50  3.000
 A53  H241  C24  O23   110.24  3.000
 A53  C25   C24  O23   108.74  3.000
 A53  H25   C25  N27   107.47  3.000
 A53  H25   C25  C26   107.36  3.000
 A53  N27   C25  C26   115.19  3.000
 A53  H25   C25  C24   108.17  3.000
 A53  N27   C25  C24   109.70  3.000
 A53  C26   C25  C24   108.72  3.000
 A53  H262  C26  H261  106.34  3.000
 A53  H262  C26  C28   109.60  3.000
 A53  H261  C26  C28   109.74  3.000
 A53  H262  C26  C25   108.89  3.000
 A53  H261  C26  C25   108.98  3.000
 A53  C28   C26  C25   113.07  3.000
 A53  H272  N27  H271  105.93  3.000
 A53  H272  N27  C25   109.65  3.000
 A53  H271  N27  C25   109.83  3.000
 A53  C32   C28  C29   105.87  3.000
 A53  C32   C28  C26   127.30  3.000
 A53  C29   C28  C26   126.81  3.000
 A53  H29   C29  N30   120.43  3.000
 A53  H29   C29  C28   129.28  3.000
 A53  N30   C29  C28   110.29  3.000
 A53  H30   N30  C31   125.80  3.000
 A53  H30   N30  C29   124.84  3.000
 A53  C31   N30  C29   109.35  3.000
 A53  C33   C31  C32   122.16  3.000
 A53  C33   C31  N30   130.61  3.000
 A53  C32   C31  N30   107.23  3.000
 A53  C36   C32  C31   118.96  3.000
 A53  C36   C32  C28   133.78  3.000
 A53  C31   C32  C28   107.26  3.000
 A53  H33   C33  C34   121.19  3.000
 A53  H33   C33  C31   121.30  3.000
 A53  C34   C33  C31   117.51  3.000
 A53  H34   C34  C35   119.35  3.000
 A53  H34   C34  C33   119.36  3.000
 A53  C35   C34  C33   121.29  3.000
 A53  H35   C35  C36   119.75  3.000
 A53  H35   C35  C34   119.25  3.000
 A53  C36   C35  C34   121.00  3.000
 A53  H36   C36  C35   120.26  3.000
 A53  H36   C36  C32   120.65  3.000
 A53  C35   C36  C32   119.09  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
 A53  CONST_01  C4   C3   C2   C1      0.00   0.0  0
 A53  CONST_02  C3   C4   N5   C1      0.00   0.0  0
 A53  CONST_03  C4   N5   C1   C2      0.00   0.0  0
 A53  CONST_04  N5   C4   C3   C2      0.00   0.0  0
 A53  CONST_05  N5   C1   C2   C3      0.00   0.0  0
 A53  CONST_06  C15  C16  C11  C10     0.00   0.0  0
 A53  CONST_07  C15  C14  C13  C10     0.00   0.0  0
 A53  CONST_08  C14  C13  C10  C11     0.00   0.0  0
 A53  CONST_09  C14  C15  C16  C11     0.00   0.0  0
 A53  CONST_10  C17  C15  C16  C11   180.00   0.0  0
 A53  CONST_11  C16  C11  C10  C13     0.00   0.0  0
 A53  CONST_12  C16  C15  C14  C13     0.00   0.0  0
 A53  CONST_13  C17  C15  C14  C13   180.00   0.0  0
 A53  CONST_16  N19  C18  C17  C15   180.00   0.0  0
 A53  CONST_17  C21  C22  C17  C15   180.00   0.0  0
 A53  CONST_20  C20  N19  C18  C17     0.00   0.0  0
 A53  CONST_21  C20  C21  C22  C17     0.00   0.0  0
 A53  CONST_22  C21  C22  C17  C18     0.00   0.0  0
 A53  CONST_23  C21  C20  N19  C18     0.00   0.0  0
 A53  CONST_24  C22  C17  C18  N19     0.00   0.0  0
 A53  CONST_25  C22  C21  C20  N19     0.00   0.0  0
 A53  CONST_26  C31  N30  C29  C28     0.00   0.0  0
 A53  CONST_27  N30  C31  C32  C28     0.00   0.0  0
 A53  CONST_28  C33  C31  C32  C28   180.00   0.0  0
 A53  CONST_29  C35  C36  C32  C28   180.00   0.0  0
 A53  CONST_30  C31  C32  C28  C29     0.00   0.0  0
 A53  CONST_31  C36  C32  C28  C29   180.00   0.0  0
 A53  CONST_32  C32  C31  N30  C29     0.00   0.0  0
 A53  CONST_33  C33  C31  N30  C29   180.00   0.0  0
 A53  CONST_34  C32  C28  C29  N30     0.00   0.0  0
 A53  CONST_35  C36  C32  C31  N30   180.00   0.0  0
 A53  CONST_36  C34  C33  C31  N30   180.00   0.0  0
 A53  CONST_37  C35  C36  C32  C31     0.00   0.0  0
 A53  CONST_38  C35  C34  C33  C31     0.00   0.0  0
 A53  CONST_39  C34  C33  C31  C32     0.00   0.0  0
 A53  CONST_40  C34  C35  C36  C32     0.00   0.0  0
 A53  CONST_41  C36  C32  C31  C33     0.00   0.0  0
 A53  CONST_42  C36  C35  C34  C33     0.00   0.0  0
 A53  CONST_43  C10  N9   C8   C7      0.00   0.0  0
 A53  CONST_44  C6   C1   C2   C3    180.00   0.0  0
 A53  CONST_45  C6   C1   N5   C4    180.00   0.0  0
 A53  CONST_46  O23  C21  C22  C17   180.00   0.0  0
 A53  CONST_47  O23  C21  C20  N19   180.00   0.0  0
 A53  CONST_48  N30  C29  C28  C26   180.00   0.0  0
 A53  CONST_49  C31  C32  C28  C26   180.00   0.0  0
 A53  CONST_50  C36  C32  C28  C26     0.00   0.0  0
 A53  CONST_51  O12  C8   N9   C10   180.00   0.0  0
 A53  CONST_52  H3   C3   C2   C1    180.00   0.0  0
 A53  CONST_53  H4   C4   N5   C1    180.00   0.0  0
 A53  CONST_54  HN5  N5   C1   C2    180.00   0.0  0
 A53  CONST_55  H2   C2   C3   C4    180.00   0.0  0
 A53  CONST_56  H16  C16  C11  C7      0.00   0.0  0
 A53  CONST_57  H13  C13  C10  N9      0.00   0.0  0
 A53  CONST_58  H14  C14  C13  C10   180.00   0.0  0
 A53  CONST_59  H18  C18  C17  C15     0.00   0.0  0
 A53  CONST_60  H22  C22  C17  C15     0.00   0.0  0
 A53  CONST_61  H20  C20  N19  C18   180.00   0.0  0
 A53  CONST_62  H30  N30  C29  C28   180.00   0.0  0
 A53  CONST_63  H36  C36  C32  C28     0.00   0.0  0
 A53  CONST_64  H33  C33  C31  N30     0.00   0.0  0
 A53  CONST_65  H29  C29  N30  C31   180.00   0.0  0
 A53  CONST_66  H34  C34  C33  C31   180.00   0.0  0
 A53  CONST_67  H35  C35  C36  C32   180.00   0.0  0
 A53  CONST_68  HN9  N9   C8   C7    180.00   0.0  0
 A53  Var_01    C8   C7   C6   C1      0.39  30.0  2
 A53  Var_02    C7   C6   C1   C2   -179.25  30.0  2
 A53  Var_03    C29  C28  C26  C25   -89.34  30.0  2
 A53  Var_04    C25  C24  O23  C21  -177.69  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
 A53  chir_01  C25  C24  C26  N27  positiv

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
 A53  plan-1  C1   0.020
 A53  plan-1  C2   0.020
 A53  plan-1  C3   0.020
 A53  plan-1  C4   0.020
 A53  plan-1  N5   0.020
 A53  plan-1  C6   0.020
 A53  plan-1  H2   0.020
 A53  plan-1  H3   0.020
 A53  plan-1  H4   0.020
 A53  plan-1  HN5  0.020
 A53  plan-2  C15  0.020
 A53  plan-2  C17  0.020
 A53  plan-2  C18  0.020
 A53  plan-2  N19  0.020
 A53  plan-2  C20  0.020
 A53  plan-2  C21  0.020
 A53  plan-2  C22  0.020
 A53  plan-2  O23  0.020
 A53  plan-2  H18  0.020
 A53  plan-2  H20  0.020
 A53  plan-2  H22  0.020
 A53  plan-3  C6   0.020
 A53  plan-3  C7   0.020
 A53  plan-3  C8   0.020
 A53  plan-3  N9   0.020
 A53  plan-3  C10  0.020
 A53  plan-3  C11  0.020
 A53  plan-3  O12  0.020
 A53  plan-3  C13  0.020
 A53  plan-3  C14  0.020
 A53  plan-3  C15  0.020
 A53  plan-3  C16  0.020
 A53  plan-3  C17  0.020
 A53  plan-3  HN9  0.020
 A53  plan-3  H13  0.020
 A53  plan-3  H14  0.020
 A53  plan-3  H16  0.020
 A53  plan-4  C26  0.020
 A53  plan-4  C28  0.020
 A53  plan-4  C29  0.020
 A53  plan-4  N30  0.020
 A53  plan-4  C31  0.020
 A53  plan-4  C32  0.020
 A53  plan-4  C33  0.020
 A53  plan-4  C34  0.020
 A53  plan-4  C35  0.020
 A53  plan-4  C36  0.020
 A53  plan-4  H29  0.020
 A53  plan-4  H30  0.020
 A53  plan-4  H33  0.020
 A53  plan-4  H34  0.020
 A53  plan-4  H35  0.020
 A53  plan-4  H36  0.020

