# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Apr 24 22:13:15 2020
#   Inital geometry file: a 153 line input string
#   Ligand name: (2S)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc3ccc4cccc5ccc2c3c45)c1)C(O)=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
 13M  13M  '(2S)-2-(4-methoxy-3-{[(pyren-1-ylcarbonyl)amino]methyl}benzyl)butanoic acid'  ligand  62  35  .  2021-08-03  2021-08-03  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_13M
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
 13M  C1    C  C     0   0.558  -7.2393   0.2502  -0.2334
 13M  O1    O  O     0  -0.448  -7.7802  -0.6942   0.2896
 13M  C2    C  CH1   0  -0.352  -6.6635   1.4185   0.5299
 13M  O2    O  OH1   0  -0.585  -7.1102   0.3719  -1.5485
 13M  C3    C  CH2   0  -0.425  -7.8091   2.1868   1.2075
 13M  O3    O  O2    0  -0.465  -1.4631  -1.9021  -1.0714
 13M  C4    C  CH3   0  -0.674  -7.3604   3.5024   1.8284
 13M  C5    C  CH2   0  -0.505  -5.6253   0.9043   1.5376
 13M  C6    C  CR6   0   0.117  -4.5165   0.1287   0.8805
 13M  C7    C  CR16  0  -0.355  -3.5210   0.7843   0.1541
 13M  C8    C  CR6   0   0.029  -2.5059   0.1035  -0.4957
 13M  C9    C  CR6   0   0.353  -2.4725  -1.2984  -0.4177
 13M  C10   C  CR16  0  -0.364  -3.4475  -1.9706   0.3090
 13M  C11   C  CR16  0  -0.305  -4.4575  -1.2549   0.9444
 13M  C12   C  CH3   0  -0.436  -1.3454  -3.3073  -0.9962
 13M  C15   C  CH2   0  -0.356  -1.4406   0.8534  -1.2502
 13M  C17   C  CR66  0   0.105   3.3774   0.1377  -0.6368
 13M  C19   C  C     0   0.131   4.4053  -0.3076   0.2361
 13M  C22   C  CR16  0  -0.283   1.7662  -1.0317   0.7432
 13M  C85   C  CR16  0  -0.338   7.4183   1.2457  -1.3179
 13M  C86   C  CR16  0  -0.250   8.4154   0.7986  -0.4653
 13M  C87   C  CR6   0  -0.122   2.0511  -0.2362  -0.3628
 13M  C88   C  CR16  0  -0.338   8.1034  -0.0092   0.6180
 13M  C89   C  CR66  0   0.094   6.7836  -0.3866   0.8681
 13M  C91   C  CR16  0  -0.330   6.4345  -1.2182   1.9805
 13M  C92   C  CR16  0  -0.325   5.1507  -1.5711   2.2099
 13M  C93   C  CR16  0  -0.351   3.7446   0.9809  -1.7391
 13M  C94   C  CR16  0  -0.318   5.0310   1.3373  -1.9547
 13M  C95   C  CR66  0   0.090   6.0863   0.8900  -1.0999
 13M  C96   C  C     0   0.118   5.7578   0.0649   0.0011
 13M  C97   C  C     0   0.506   0.9193   0.1298  -1.2731
 13M  C98   C  CR66  0   0.076   4.0948  -1.1273   1.3499
 13M  C99   C  CR16  0  -0.339   2.7674  -1.4791   1.5848
 13M  N99   N  NH1   0  -0.615  -0.1384   0.6687  -0.6454
 13M  O99   O  O     0  -0.486   0.9694  -0.0722  -2.4780
 13M  H2    H  HCH1  0   0.260  -6.1661   2.0910  -0.1753
 13M  HO2   H  HOH1  0   0.477  -7.5083  -0.3936  -1.9908
 13M  H3    H  HCH2  0   0.242  -8.5843   2.3947   0.4650
 13M  H3A   H  HCH2  0   0.231  -8.2712   1.5510   1.9665
 13M  H4    H  HCH3  0   0.239  -8.2154   4.0477   2.2281
 13M  H4A   H  HCH3  0   0.229  -6.6588   3.3549   2.6493
 13M  H4B   H  HCH3  0   0.224  -6.8765   4.1409   1.0875
 13M  H5    H  HCH2  0   0.263  -5.2091   1.7633   2.0669
 13M  H5A   H  HCH2  0   0.249  -6.1235   0.2839   2.2865
 13M  H7    H  HCR6  0   0.245  -3.5332   1.8683   0.0964
 13M  H10   H  HCR6  0   0.278  -3.4415  -3.0492   0.3917
 13M  H11   H  HCR6  0   0.250  -5.2096  -1.8003   1.5014
 13M  H12   H  HCH3  0   0.227  -1.2116  -3.6510   0.0330
 13M  H12A  H  HCH3  0   0.229  -2.2129  -3.8149  -1.4260
 13M  H12B  H  HCH3  0   0.259  -0.4627  -3.5733  -1.5724
 13M  H15   H  HCH2  0   0.267  -1.3784   0.5232  -2.2863
 13M  H15A  H  HCH2  0   0.263  -1.6931   1.9158  -1.2690
 13M  H85   H  HCR6  0   0.262   7.6678   1.8754  -2.1633
 13M  H86   H  HCR6  0   0.263   9.4440   1.0816  -0.6457
 13M  H88   H  HCR6  0   0.262   8.8878  -0.3528   1.2814
 13M  H91   H  HCR6  0   0.261   7.2228  -1.5584   2.6408
 13M  H92   H  HCR6  0   0.260   4.8971  -2.1973   3.0565
 13M  H93   H  HCR6  0   0.256   2.9802   1.3402  -2.4119
 13M  H94   H  HCR6  0   0.260   5.2800   1.9763  -2.7932
 13M  H99   H  HCR6  0   0.264   2.5214  -2.1076   2.4316
 13M  HN99  H  HNH1  0   0.402  -0.0656   0.8536   0.3425
 13M  H22   H  HCR6  0   0.267   0.7435  -1.3285   0.9379

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
 13M  C1   O1    double    1.207  0.020  1.207
 13M  C1   C2    single    1.510  0.020  1.510
 13M  C1   O2    single    1.327  0.020  1.327
 13M  C2   C3    single    1.537  0.020  1.537
 13M  C2   C5    single    1.536  0.020  1.536
 13M  C3   C4    single    1.522  0.020  1.522
 13M  O3   C9    single    1.346  0.020  1.346
 13M  O3   C12   single    1.412  0.020  1.412
 13M  C5   C6    single    1.504  0.020  1.504
 13M  C6   C7    aromatic  1.396  0.020  1.396
 13M  C6   C11   aromatic  1.386  0.020  1.386
 13M  C7   C8    aromatic  1.384  0.020  1.384
 13M  C8   C9    aromatic  1.404  0.020  1.404
 13M  C8   C15   single    1.505  0.020  1.505
 13M  C9   C10   aromatic  1.389  0.020  1.389
 13M  C10  C11   aromatic  1.391  0.020  1.391
 13M  C15  N99   single    1.448  0.020  1.448
 13M  C17  C19   aromatic  1.420  0.020  1.420
 13M  C17  C87   aromatic  1.405  0.020  1.405
 13M  C17  C93   aromatic  1.436  0.020  1.436
 13M  C19  C96   aromatic  1.422  0.020  1.422
 13M  C19  C98   aromatic  1.417  0.020  1.417
 13M  C22  C87   aromatic  1.392  0.020  1.392
 13M  C22  C99   aromatic  1.382  0.020  1.382
 13M  C85  C86   aromatic  1.386  0.020  1.386
 13M  C85  C95   aromatic  1.396  0.020  1.396
 13M  C86  C88   aromatic  1.387  0.020  1.387
 13M  C87  C97   single    1.498  0.020  1.498
 13M  C88  C89   aromatic  1.395  0.020  1.395
 13M  C89  C91   aromatic  1.432  0.020  1.432
 13M  C89  C96   aromatic  1.417  0.020  1.417
 13M  C91  C92   aromatic  1.351  0.020  1.351
 13M  C92  C98   aromatic  1.432  0.020  1.432
 13M  C93  C94   aromatic  1.352  0.020  1.352
 13M  C94  C95   aromatic  1.430  0.020  1.430
 13M  C95  C96   aromatic  1.415  0.020  1.415
 13M  C97  N99   single    1.343  0.020  1.343
 13M  C97  O99   double    1.223  0.020  1.223
 13M  C98  C99   aromatic  1.393  0.020  1.393
 13M  C2   H2    single    0.970  0.020  1.090
 13M  O2   HO2   single    0.850  0.020  0.980
 13M  C3   H3    single    0.970  0.020  1.090
 13M  C3   H3A   single    0.970  0.020  1.090
 13M  C4   H4    single    0.970  0.020  1.090
 13M  C4   H4A   single    0.970  0.020  1.090
 13M  C4   H4B   single    0.970  0.020  1.090
 13M  C5   H5    single    0.970  0.020  1.090
 13M  C5   H5A   single    0.970  0.020  1.090
 13M  C7   H7    single    0.930  0.020  1.080
 13M  C10  H10   single    0.930  0.020  1.080
 13M  C11  H11   single    0.930  0.020  1.080
 13M  C12  H12   single    0.970  0.020  1.090
 13M  C12  H12A  single    0.970  0.020  1.090
 13M  C12  H12B  single    0.970  0.020  1.090
 13M  C15  H15   single    0.970  0.020  1.090
 13M  C15  H15A  single    0.970  0.020  1.090
 13M  C22  H22   single    0.930  0.020  1.080
 13M  C85  H85   single    0.930  0.020  1.080
 13M  C86  H86   single    0.930  0.020  1.080
 13M  C88  H88   single    0.930  0.020  1.080
 13M  C91  H91   single    0.930  0.020  1.080
 13M  C92  H92   single    0.930  0.020  1.080
 13M  C93  H93   single    0.930  0.020  1.080
 13M  C94  H94   single    0.930  0.020  1.080
 13M  C99  H99   single    0.930  0.020  1.080
 13M  N99  HN99  single    0.860  0.020  1.020

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
 13M  O2    C1   C2    113.14  3.000
 13M  O2    C1   O1    122.99  3.000
 13M  C2    C1   O1    123.86  3.000
 13M  H2    C2   C5    108.75  3.000
 13M  H2    C2   C3    108.41  3.000
 13M  C5    C2   C3    112.46  3.000
 13M  H2    C2   C1    108.86  3.000
 13M  C5    C2   C1    109.30  3.000
 13M  C3    C2   C1    109.00  3.000
 13M  HO2   O2   C1    109.86  3.000
 13M  H3A   C3   H3    106.41  3.000
 13M  H3A   C3   C4    110.13  3.000
 13M  H3    C3   C4    108.76  3.000
 13M  H3A   C3   C2    109.31  3.000
 13M  H3    C3   C2    108.91  3.000
 13M  C4    C3   C2    113.09  3.000
 13M  C12   O3   C9    118.89  3.000
 13M  H4B   C4   H4A   107.76  3.000
 13M  H4B   C4   H4    107.70  3.000
 13M  H4A   C4   H4    107.25  3.000
 13M  H4B   C4   C3    111.07  3.000
 13M  H4A   C4   C3    112.33  3.000
 13M  H4    C4   C3    110.53  3.000
 13M  H5A   C5   H5    106.75  3.000
 13M  H5A   C5   C6    110.05  3.000
 13M  H5    C5   C6    109.66  3.000
 13M  H5A   C5   C2    109.37  3.000
 13M  H5    C5   C2    108.21  3.000
 13M  C6    C5   C2    112.61  3.000
 13M  C11   C6   C7    117.55  3.000
 13M  C11   C6   C5    121.72  3.000
 13M  C7    C6   C5    120.72  3.000
 13M  H7    C7   C8    118.32  3.000
 13M  H7    C7   C6    119.25  3.000
 13M  C8    C7   C6    122.43  3.000
 13M  C15   C8   C9    120.54  3.000
 13M  C15   C8   C7    120.61  3.000
 13M  C9    C8   C7    118.84  3.000
 13M  C10   C9   C8    119.69  3.000
 13M  C10   C9   O3    124.29  3.000
 13M  C8    C9   O3    116.02  3.000
 13M  H10   C10  C11   118.81  3.000
 13M  H10   C10  C9    121.23  3.000
 13M  C11   C10  C9    119.96  3.000
 13M  H11   C11  C10   118.67  3.000
 13M  H11   C11  C6    119.79  3.000
 13M  C10   C11  C6    121.54  3.000
 13M  H12B  C12  H12A  108.81  3.000
 13M  H12B  C12  H12   108.82  3.000
 13M  H12A  C12  H12   108.74  3.000
 13M  H12B  C12  O3    106.43  3.000
 13M  H12A  C12  O3    112.02  3.000
 13M  H12   C12  O3    111.91  3.000
 13M  H15A  C15  H15   106.96  3.000
 13M  H15A  C15  N99   109.83  3.000
 13M  H15   C15  N99   107.90  3.000
 13M  H15A  C15  C8    109.24  3.000
 13M  H15   C15  C8    111.48  3.000
 13M  N99   C15  C8    111.32  3.000
 13M  C93   C17  C87   123.20  3.000
 13M  C93   C17  C19   118.09  3.000
 13M  C87   C17  C19   118.69  3.000
 13M  C98   C19  C96   119.32  3.000
 13M  C98   C19  C17   120.38  3.000
 13M  C96   C19  C17   120.31  3.000
 13M  H22   C22  C99   119.08  3.000
 13M  H22   C22  C87   119.54  3.000
 13M  C99   C22  C87   121.37  3.000
 13M  H85   C85  C95   119.33  3.000
 13M  H85   C85  C86   120.13  3.000
 13M  C95   C85  C86   120.55  3.000
 13M  H86   C86  C88   119.77  3.000
 13M  H86   C86  C85   119.80  3.000
 13M  C88   C86  C85   120.43  3.000
 13M  C97   C87  C22   117.90  3.000
 13M  C97   C87  C17   121.99  3.000
 13M  C22   C87  C17   120.02  3.000
 13M  H88   C88  C89   119.30  3.000
 13M  H88   C88  C86   120.02  3.000
 13M  C89   C88  C86   120.69  3.000
 13M  C96   C89  C91   118.93  3.000
 13M  C96   C89  C88   119.27  3.000
 13M  C91   C89  C88   121.79  3.000
 13M  H91   C91  C92   120.40  3.000
 13M  H91   C91  C89   118.59  3.000
 13M  C92   C91  C89   121.01  3.000
 13M  H92   C92  C98   118.41  3.000
 13M  H92   C92  C91   120.41  3.000
 13M  C98   C92  C91   121.17  3.000
 13M  H93   C93  C94   119.11  3.000
 13M  H93   C93  C17   119.52  3.000
 13M  C94   C93  C17   121.37  3.000
 13M  H94   C94  C95   118.53  3.000
 13M  H94   C94  C93   119.84  3.000
 13M  C95   C94  C93   121.63  3.000
 13M  C96   C95  C94   118.45  3.000
 13M  C96   C95  C85   119.46  3.000
 13M  C94   C95  C85   122.09  3.000
 13M  C95   C96  C89   119.60  3.000
 13M  C95   C96  C19   120.15  3.000
 13M  C89   C96  C19   120.25  3.000
 13M  O99   C97  N99   124.00  3.000
 13M  O99   C97  C87   121.84  3.000
 13M  N99   C97  C87   114.15  3.000
 13M  C99   C98  C92   121.53  3.000
 13M  C99   C98  C19   119.16  3.000
 13M  C92   C98  C19   119.31  3.000
 13M  H99   C99  C98   119.66  3.000
 13M  H99   C99  C22   119.96  3.000
 13M  C98   C99  C22   120.38  3.000
 13M  HN99  N99  C97   118.36  3.000
 13M  HN99  N99  C15   116.82  3.000
 13M  C97   N99  C15   124.37  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
 13M  CONST_01  C9    C8   C7   C6      0.00   0.0  0
 13M  CONST_02  C9    C10  C11  C6      0.00   0.0  0
 13M  CONST_03  C10   C11  C6   C7      0.00   0.0  0
 13M  CONST_04  C10   C9   C8   C7      0.00   0.0  0
 13M  CONST_05  C11   C6   C7   C8      0.00   0.0  0
 13M  CONST_06  C11   C10  C9   C8      0.00   0.0  0
 13M  CONST_07  C89   C96  C19  C17   180.00   0.0  0
 13M  CONST_08  C95   C96  C19  C17     0.00   0.0  0
 13M  CONST_09  C92   C98  C19  C17   180.00   0.0  0
 13M  CONST_10  C99   C98  C19  C17     0.00   0.0  0
 13M  CONST_11  C99   C22  C87  C17     0.00   0.0  0
 13M  CONST_12  C95   C94  C93  C17     0.00   0.0  0
 13M  CONST_13  C22   C87  C17  C19     0.00   0.0  0
 13M  CONST_14  C94   C93  C17  C19     0.00   0.0  0
 13M  CONST_15  C88   C89  C96  C19   180.00   0.0  0
 13M  CONST_16  C91   C89  C96  C19     0.00   0.0  0
 13M  CONST_17  C85   C95  C96  C19   180.00   0.0  0
 13M  CONST_18  C94   C95  C96  C19     0.00   0.0  0
 13M  CONST_19  C91   C92  C98  C19     0.00   0.0  0
 13M  CONST_20  C22   C99  C98  C19     0.00   0.0  0
 13M  CONST_21  C93   C17  C87  C22   180.00   0.0  0
 13M  CONST_22  C92   C98  C99  C22   180.00   0.0  0
 13M  CONST_23  C89   C88  C86  C85     0.00   0.0  0
 13M  CONST_24  C93   C94  C95  C85   180.00   0.0  0
 13M  CONST_25  C89   C96  C95  C85     0.00   0.0  0
 13M  CONST_26  C94   C95  C85  C86   180.00   0.0  0
 13M  CONST_27  C96   C95  C85  C86     0.00   0.0  0
 13M  CONST_28  C91   C89  C88  C86   180.00   0.0  0
 13M  CONST_29  C96   C89  C88  C86     0.00   0.0  0
 13M  CONST_30  C96   C19  C17  C87   180.00   0.0  0
 13M  CONST_31  C98   C19  C17  C87     0.00   0.0  0
 13M  CONST_32  C94   C93  C17  C87   180.00   0.0  0
 13M  CONST_33  C98   C99  C22  C87     0.00   0.0  0
 13M  CONST_34  C95   C85  C86  C88     0.00   0.0  0
 13M  CONST_35  C92   C91  C89  C88   180.00   0.0  0
 13M  CONST_36  C95   C96  C89  C88     0.00   0.0  0
 13M  CONST_37  C98   C92  C91  C89     0.00   0.0  0
 13M  CONST_38  C98   C19  C96  C89     0.00   0.0  0
 13M  CONST_39  C94   C95  C96  C89   180.00   0.0  0
 13M  CONST_40  C95   C96  C89  C91   180.00   0.0  0
 13M  CONST_41  C99   C98  C92  C91   180.00   0.0  0
 13M  CONST_42  C96   C89  C91  C92     0.00   0.0  0
 13M  CONST_43  C96   C19  C98  C92     0.00   0.0  0
 13M  CONST_44  C96   C19  C17  C93     0.00   0.0  0
 13M  CONST_45  C98   C19  C17  C93   180.00   0.0  0
 13M  CONST_46  C96   C95  C94  C93     0.00   0.0  0
 13M  CONST_47  C98   C19  C96  C95   180.00   0.0  0
 13M  CONST_48  C99   C98  C19  C96   180.00   0.0  0
 13M  CONST_49  C7    C8   C9   O3    180.00   0.0  0
 13M  CONST_50  C11   C10  C9   O3    180.00   0.0  0
 13M  CONST_51  C8    C7   C6   C5    180.00   0.0  0
 13M  CONST_52  C10   C11  C6   C5    180.00   0.0  0
 13M  CONST_53  C15   C8   C7   C6    180.00   0.0  0
 13M  CONST_54  C15   C8   C9   C10   180.00   0.0  0
 13M  CONST_55  C97   C87  C17  C19   180.00   0.0  0
 13M  CONST_56  C97   C87  C17  C93     0.00   0.0  0
 13M  CONST_57  C99   C22  C87  C97   180.00   0.0  0
 13M  CONST_58  H10   C10  C11  C6    180.00   0.0  0
 13M  CONST_59  H11   C11  C6   C7    180.00   0.0  0
 13M  CONST_60  H7    C7   C8   C9    180.00   0.0  0
 13M  CONST_61  H22   C22  C87  C17   180.00   0.0  0
 13M  CONST_62  H94   C94  C93  C17   180.00   0.0  0
 13M  CONST_63  H93   C93  C17  C19   180.00   0.0  0
 13M  CONST_64  H92   C92  C98  C19   180.00   0.0  0
 13M  CONST_65  H99   C99  C98  C19   180.00   0.0  0
 13M  CONST_66  H88   C88  C86  C85   180.00   0.0  0
 13M  CONST_67  H85   C85  C86  C88   180.00   0.0  0
 13M  CONST_68  H91   C91  C89  C88     0.00   0.0  0
 13M  CONST_69  H86   C86  C88  C89   180.00   0.0  0
 13M  CONST_70  C87   C97  N99  C15   180.00   0.0  0
 13M  CONST_71  HN99  N99  C97  C87     0.00   0.0  0
 13M  CONST_72  O99   C97  N99  C15     0.00   0.0  0
 13M  CONST_73  HO2   O2   C1   O1      0.00   0.0  0
 13M  Var_01    C7    C6   C5   C2     74.44  30.0  2
 13M  Var_02    N99   C15  C8   C7    115.18  30.0  2
 13M  Var_03    N99   C97  C87  C17  -131.34  30.0  2
 13M  Var_04    C97   N99  C15  C8    120.18  30.0  3
 13M  Var_05    H12   C12  O3   C9    -60.12  30.0  3
 13M  Var_06    H4    C4   C3   C2    175.62  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
 13M  chir_01  C2  C1  C3  C5  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
 13M  plan-1  O3    0.020
 13M  plan-1  C5    0.020
 13M  plan-1  C6    0.020
 13M  plan-1  C7    0.020
 13M  plan-1  C8    0.020
 13M  plan-1  C9    0.020
 13M  plan-1  C10   0.020
 13M  plan-1  C11   0.020
 13M  plan-1  C15   0.020
 13M  plan-1  H7    0.020
 13M  plan-1  H10   0.020
 13M  plan-1  H11   0.020
 13M  plan-2  C17   0.020
 13M  plan-2  C19   0.020
 13M  plan-2  C22   0.020
 13M  plan-2  C85   0.020
 13M  plan-2  C86   0.020
 13M  plan-2  C87   0.020
 13M  plan-2  C88   0.020
 13M  plan-2  C89   0.020
 13M  plan-2  C91   0.020
 13M  plan-2  C92   0.020
 13M  plan-2  C93   0.020
 13M  plan-2  C94   0.020
 13M  plan-2  C95   0.020
 13M  plan-2  C96   0.020
 13M  plan-2  C97   0.020
 13M  plan-2  C98   0.020
 13M  plan-2  C99   0.020
 13M  plan-2  H85   0.020
 13M  plan-2  H86   0.020
 13M  plan-2  H88   0.020
 13M  plan-2  H91   0.020
 13M  plan-2  H92   0.020
 13M  plan-2  H93   0.020
 13M  plan-2  H94   0.020
 13M  plan-2  H99   0.020
 13M  plan-2  H22   0.020
 13M  plan-3  C15   0.020
 13M  plan-3  C87   0.020
 13M  plan-3  C97   0.020
 13M  plan-3  N99   0.020
 13M  plan-3  O99   0.020
 13M  plan-3  HN99  0.020
 13M  plan-4  C1    0.020
 13M  plan-4  O1    0.020
 13M  plan-4  C2    0.020
 13M  plan-4  O2    0.020
 13M  plan-4  HO2   0.020

