# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Jul 22 22:29:02 2021
#   Inital geometry file: a 146 line input string
#   Ligand name: 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(cc3)C4CCNCC4
#
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
 Q5Z  Q5Z  4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine  ligand  61  31  .  2022-03-23  2022-03-23
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_Q5Z
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
 Q5Z  C10   C  CR6   0  -0.034  -32.4034  22.3309  14.1734
 Q5Z  C13   C  CR16  0  -0.322  -35.8326  22.5858  15.7210
 Q5Z  C15   C  CH1   0  -0.343  -37.6443  20.9118  16.2349
 Q5Z  C17   C  CH2   0  -0.318  -38.8495  19.3850  17.8717
 Q5Z  C20   C  CH2   0  -0.457  -38.5305  20.1568  15.2441
 Q5Z  C21   C  CR16  0  -0.303  -35.4516  20.3086  15.1209
 Q5Z  C22   C  CR16  0  -0.270  -34.1981  20.6433  14.6366
 Q5Z  C24   C  CH3   0  -0.765  -31.2212  20.6978  15.7059
 Q5Z  C26   C  CR6   0   0.349  -26.4665  21.9517  15.2516
 Q5Z  C28   C  CH3   0  -0.440  -25.6478  24.0775  15.9050
 Q5Z  C01   C  CH3   0  -0.439  -27.8302  17.5256  14.0445
 Q5Z  C03   C  CR6   0   0.345  -27.2015  19.7383  14.6102
 Q5Z  C04   C  CR16  0  -0.448  -28.4464  20.2541  14.2613
 Q5Z  C05   C  CR6   0   0.057  -28.7001  21.6129  14.4166
 Q5Z  C06   C  CR6   0  -0.044  -30.0185  22.1694  14.0394
 Q5Z  C07   C  CR16  0  -0.092  -30.0677  23.1877  13.0921
 Q5Z  C09   C  CR16  0  -0.095  -32.3191  23.3423  13.2195
 Q5Z  C11   C  CR6   0   0.008  -33.7355  21.9583  14.6953
 Q5Z  C12   C  CR16  0  -0.280  -34.5760  22.9262  15.2388
 Q5Z  C14   C  CR6   0   0.187  -36.2926  21.2734  15.6773
 Q5Z  C16   C  CH2   0  -0.439  -37.5172  20.0812  17.5242
 Q5Z  C19   C  CH2   0  -0.301  -39.9515  19.9994  15.8231
 Q5Z  C23   C  CR6   0   0.152  -31.2175  21.7285  14.6157
 Q5Z  C25   C  CR16  0  -0.462  -27.7154  22.4647  14.9049
 Q5Z  C29   C  CR6   0   0.169  -26.2113  20.5850  15.1173
 Q5Z  C31   C  CH3   0  -0.409  -24.0270  20.0683  14.4706
 Q5Z  N08   N  N     0  -0.404  -31.1854  23.7714  12.6872
 Q5Z  N18   N  NH1   0  -0.585  -40.0134  20.0203  17.2803
 Q5Z  O27   O  O2    0  -0.464  -25.4522  22.6867  15.7369
 Q5Z  O30   O  O2    0  -0.481  -25.0112  20.0741  15.4965
 Q5Z  H131  H  HCR6  0   0.247  -36.4632  23.3578  16.1466
 Q5Z  H1    H  HCH1  0   0.242  -38.1506  21.8517  16.4828
 Q5Z  H171  H  HCH2  0   0.236  -38.9794  19.3396  18.9545
 Q5Z  H172  H  HCH2  0   0.223  -38.8273  18.3481  17.5251
 Q5Z  H202  H  HCH2  0   0.240  -38.5751  20.6807  14.2870
 Q5Z  H201  H  HCH2  0   0.225  -38.0927  19.1753  15.0385
 Q5Z  H211  H  HCR6  0   0.246  -35.7736  19.2757  15.0613
 Q5Z  H221  H  HCR6  0   0.250  -33.5776  19.8722  14.1964
 Q5Z  H243  H  HCH3  0   0.262  -30.3163  20.7599  16.3078
 Q5Z  H242  H  HCH3  0   0.263  -32.0804  20.8187  16.3624
 Q5Z  H241  H  HCH3  0   0.256  -31.2667  19.6850  15.3016
 Q5Z  H281  H  HCH3  0   0.262  -24.7113  24.4763  16.2861
 Q5Z  H282  H  HCH3  0   0.230  -25.8828  24.5743  14.9606
 Q5Z  H283  H  HCH3  0   0.230  -26.4419  24.2931  16.6243
 Q5Z  H011  H  HCH3  0   0.263  -27.3590  16.5460  14.0589
 Q5Z  H013  H  HCH3  0   0.227  -28.7079  17.5039  14.6957
 Q5Z  H012  H  HCH3  0   0.230  -28.1534  17.7442  13.0238
 Q5Z  H041  H  HCR6  0   0.275  -29.2204  19.6183  13.8541
 Q5Z  H071  H  HCR6  0   0.260  -29.1454  23.5377  12.6391
 Q5Z  H091  H  HCR6  0   0.260  -33.2293  23.8201  12.8707
 Q5Z  H121  H  HCR6  0   0.251  -34.2421  23.9550  15.3010
 Q5Z  H161  H  HCH2  0   0.228  -36.7334  19.3289  17.4014
 Q5Z  H2    H  HCH2  0   0.233  -37.1963  20.7333  18.3401
 Q5Z  H192  H  HCH2  0   0.232  -40.5927  20.8016  15.4539
 Q5Z  H191  H  HCH2  0   0.218  -40.3846  19.0624  15.4598
 Q5Z  H251  H  HCR6  0   0.278  -27.9390  23.5161  15.0245
 Q5Z  H312  H  HCH3  0   0.238  -23.1369  19.5953  14.8813
 Q5Z  H313  H  HCH3  0   0.221  -24.3542  19.4970  13.5988
 Q5Z  H311  H  HCH3  0   0.221  -23.7691  21.0807  14.1511
 Q5Z  H3    H  HNH1  0   0.341  -40.0624  20.9802  17.5986
 Q5Z  O02   O  O2    0  -0.462  -26.8574  18.4444  14.5012

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
 Q5Z  N08  C07   aromatic  1.324  0.020  1.324
 Q5Z  N08  C09   aromatic  1.324  0.020  1.324
 Q5Z  C01  O02   single    1.414  0.020  1.414
 Q5Z  C07  C06   aromatic  1.392  0.020  1.392
 Q5Z  C09  C10   aromatic  1.393  0.020  1.393
 Q5Z  O02  C03   single    1.343  0.020  1.343
 Q5Z  C04  C03   aromatic  1.392  0.020  1.392
 Q5Z  C04  C05   aromatic  1.391  0.020  1.391
 Q5Z  C31  O30   single    1.422  0.020  1.422
 Q5Z  C03  C29   aromatic  1.398  0.020  1.398
 Q5Z  C06  C05   single    1.480  0.020  1.480
 Q5Z  C06  C23   aromatic  1.401  0.020  1.401
 Q5Z  C10  C23   aromatic  1.402  0.020  1.402
 Q5Z  C10  C11   single    1.478  0.020  1.478
 Q5Z  C05  C25   aromatic  1.391  0.020  1.391
 Q5Z  C23  C24   single    1.500  0.020  1.500
 Q5Z  C22  C11   aromatic  1.395  0.020  1.395
 Q5Z  C22  C21   aromatic  1.385  0.020  1.385
 Q5Z  C11  C12   aromatic  1.392  0.020  1.392
 Q5Z  C29  O30   single    1.358  0.020  1.358
 Q5Z  C29  C26   aromatic  1.397  0.020  1.397
 Q5Z  C21  C14   aromatic  1.396  0.020  1.396
 Q5Z  C25  C26   aromatic  1.394  0.020  1.394
 Q5Z  C26  O27   single    1.343  0.020  1.343
 Q5Z  C12  C13   aromatic  1.388  0.020  1.388
 Q5Z  C14  C13   aromatic  1.391  0.020  1.391
 Q5Z  C14  C15   single    1.506  0.020  1.506
 Q5Z  C20  C15   single    1.529  0.020  1.529
 Q5Z  C20  C19   single    1.542  0.020  1.542
 Q5Z  O27  C28   single    1.414  0.020  1.414
 Q5Z  C15  C16   single    1.539  0.020  1.539
 Q5Z  C19  N18   single    1.459  0.020  1.459
 Q5Z  N18  C17   single    1.452  0.020  1.452
 Q5Z  C16  C17   single    1.543  0.020  1.543
 Q5Z  C13  H131  single    0.930  0.020  1.080
 Q5Z  C15  H1    single    0.970  0.020  1.090
 Q5Z  C17  H171  single    0.970  0.020  1.090
 Q5Z  C17  H172  single    0.970  0.020  1.090
 Q5Z  C20  H202  single    0.970  0.020  1.090
 Q5Z  C20  H201  single    0.970  0.020  1.090
 Q5Z  C21  H211  single    0.930  0.020  1.080
 Q5Z  C22  H221  single    0.930  0.020  1.080
 Q5Z  C24  H243  single    0.970  0.020  1.090
 Q5Z  C24  H242  single    0.970  0.020  1.090
 Q5Z  C24  H241  single    0.970  0.020  1.090
 Q5Z  C28  H281  single    0.970  0.020  1.090
 Q5Z  C28  H282  single    0.970  0.020  1.090
 Q5Z  C28  H283  single    0.970  0.020  1.090
 Q5Z  C01  H011  single    0.970  0.020  1.090
 Q5Z  C01  H013  single    0.970  0.020  1.090
 Q5Z  C01  H012  single    0.970  0.020  1.090
 Q5Z  C04  H041  single    0.930  0.020  1.080
 Q5Z  C07  H071  single    0.930  0.020  1.080
 Q5Z  C09  H091  single    0.930  0.020  1.080
 Q5Z  C12  H121  single    0.930  0.020  1.080
 Q5Z  C16  H161  single    0.970  0.020  1.090
 Q5Z  C16  H2    single    0.970  0.020  1.090
 Q5Z  C19  H192  single    0.970  0.020  1.090
 Q5Z  C19  H191  single    0.970  0.020  1.090
 Q5Z  C25  H251  single    0.930  0.020  1.080
 Q5Z  C31  H312  single    0.970  0.020  1.090
 Q5Z  C31  H313  single    0.970  0.020  1.090
 Q5Z  C31  H311  single    0.970  0.020  1.090
 Q5Z  N18  H3    single    0.890  0.020  1.040

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
 Q5Z  C23   C10  C11   122.86  3.000
 Q5Z  C11   C10  C09   118.64  3.000
 Q5Z  C23   C10  C09   118.48  3.000
 Q5Z  H131  C13  C14   119.46  3.000
 Q5Z  H131  C13  C12   119.23  3.000
 Q5Z  C14   C13  C12   121.31  3.000
 Q5Z  H1    C15  C16   108.15  3.000
 Q5Z  H1    C15  C14   107.00  3.000
 Q5Z  C16   C15  C14   111.44  3.000
 Q5Z  H1    C15  C20   107.60  3.000
 Q5Z  C16   C15  C20   108.92  3.000
 Q5Z  C14   C15  C20   113.51  3.000
 Q5Z  H172  C17  H171  106.10  3.000
 Q5Z  H172  C17  N18   107.58  3.000
 Q5Z  H171  C17  N18   109.08  3.000
 Q5Z  H172  C17  C16   109.82  3.000
 Q5Z  H171  C17  C16   110.18  3.000
 Q5Z  N18   C17  C16   113.77  3.000
 Q5Z  H201  C20  H202  106.38  3.000
 Q5Z  H201  C20  C19   110.34  3.000
 Q5Z  H202  C20  C19   109.90  3.000
 Q5Z  H201  C20  C15   109.44  3.000
 Q5Z  H202  C20  C15   110.78  3.000
 Q5Z  C19   C20  C15   109.95  3.000
 Q5Z  H211  C21  C14   120.12  3.000
 Q5Z  H211  C21  C22   118.69  3.000
 Q5Z  C14   C21  C22   121.19  3.000
 Q5Z  H221  C22  C11   119.87  3.000
 Q5Z  H221  C22  C21   119.25  3.000
 Q5Z  C11   C22  C21   120.88  3.000
 Q5Z  H241  C24  H242  107.08  3.000
 Q5Z  H241  C24  H243  107.00  3.000
 Q5Z  H242  C24  H243  108.45  3.000
 Q5Z  H241  C24  C23   111.62  3.000
 Q5Z  H242  C24  C23   111.35  3.000
 Q5Z  H243  C24  C23   111.13  3.000
 Q5Z  O27   C26  C29   115.61  3.000
 Q5Z  O27   C26  C25   124.40  3.000
 Q5Z  C29   C26  C25   119.99  3.000
 Q5Z  H283  C28  H282  108.84  3.000
 Q5Z  H283  C28  H281  108.84  3.000
 Q5Z  H282  C28  H281  108.75  3.000
 Q5Z  H283  C28  O27   111.89  3.000
 Q5Z  H282  C28  O27   111.96  3.000
 Q5Z  H281  C28  O27   106.46  3.000
 Q5Z  H012  C01  H013  108.84  3.000
 Q5Z  H012  C01  H011  108.72  3.000
 Q5Z  H013  C01  H011  108.80  3.000
 Q5Z  H012  C01  O02   112.04  3.000
 Q5Z  H013  C01  O02   111.89  3.000
 Q5Z  H011  C01  O02   106.45  3.000
 Q5Z  O02   C03  C29   115.55  3.000
 Q5Z  C29   C03  C04   119.99  3.000
 Q5Z  O02   C03  C04   124.45  3.000
 Q5Z  H041  C04  C05   119.07  3.000
 Q5Z  H041  C04  C03   121.11  3.000
 Q5Z  C05   C04  C03   119.81  3.000
 Q5Z  C25   C05  C06   119.35  3.000
 Q5Z  C25   C05  C04   120.56  3.000
 Q5Z  C06   C05  C04   120.09  3.000
 Q5Z  C23   C06  C07   118.68  3.000
 Q5Z  C23   C06  C05   122.62  3.000
 Q5Z  C07   C06  C05   118.69  3.000
 Q5Z  H071  C07  N08   116.58  3.000
 Q5Z  H071  C07  C06   119.34  3.000
 Q5Z  N08   C07  C06   124.09  3.000
 Q5Z  H091  C09  N08   116.49  3.000
 Q5Z  H091  C09  C10   119.27  3.000
 Q5Z  N08   C09  C10   124.23  3.000
 Q5Z  C12   C11  C22   118.13  3.000
 Q5Z  C12   C11  C10   120.43  3.000
 Q5Z  C22   C11  C10   121.43  3.000
 Q5Z  H121  C12  C11   119.77  3.000
 Q5Z  H121  C12  C13   119.46  3.000
 Q5Z  C11   C12  C13   120.76  3.000
 Q5Z  C21   C14  C15   121.50  3.000
 Q5Z  C15   C14  C13   120.77  3.000
 Q5Z  C21   C14  C13   117.73  3.000
 Q5Z  H2    C16  H161  106.50  3.000
 Q5Z  H2    C16  C17   110.77  3.000
 Q5Z  H161  C16  C17   109.50  3.000
 Q5Z  H2    C16  C15   109.14  3.000
 Q5Z  H161  C16  C15   109.67  3.000
 Q5Z  C17   C16  C15   111.16  3.000
 Q5Z  H191  C19  H192  106.53  3.000
 Q5Z  H191  C19  N18   109.09  3.000
 Q5Z  H192  C19  N18   107.61  3.000
 Q5Z  H191  C19  C20   109.11  3.000
 Q5Z  H192  C19  C20   109.84  3.000
 Q5Z  N18   C19  C20   114.37  3.000
 Q5Z  C06   C23  C24   121.14  3.000
 Q5Z  C24   C23  C10   121.49  3.000
 Q5Z  C06   C23  C10   117.31  3.000
 Q5Z  H251  C25  C05   119.20  3.000
 Q5Z  H251  C25  C26   121.03  3.000
 Q5Z  C05   C25  C26   119.76  3.000
 Q5Z  O30   C29  C03   119.95  3.000
 Q5Z  O30   C29  C26   120.17  3.000
 Q5Z  C03   C29  C26   119.87  3.000
 Q5Z  H311  C31  H313  108.78  3.000
 Q5Z  H311  C31  H312  108.67  3.000
 Q5Z  H313  C31  H312  108.59  3.000
 Q5Z  H311  C31  O30   111.76  3.000
 Q5Z  H313  C31  O30   111.75  3.000
 Q5Z  H312  C31  O30   107.20  3.000
 Q5Z  C09   N08  C07   117.19  3.000
 Q5Z  H3    N18  C19   109.25  3.000
 Q5Z  H3    N18  C17   109.00  3.000
 Q5Z  C19   N18  C17   111.51  3.000
 Q5Z  C28   O27  C26   118.46  3.000
 Q5Z  C31   O30  C29   114.31  3.000
 Q5Z  C03   O02  C01   118.42  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
 Q5Z  CONST_01  C07   N08  C09  C10     0.00   0.0  0
 Q5Z  CONST_02  C07   C06  C23  C10     0.00   0.0  0
 Q5Z  CONST_03  C05   C06  C23  C10   180.00   0.0  0
 Q5Z  CONST_04  C21   C22  C11  C10   180.00   0.0  0
 Q5Z  CONST_05  C13   C12  C11  C10   180.00   0.0  0
 Q5Z  CONST_06  C22   C11  C12  C13     0.00   0.0  0
 Q5Z  CONST_07  C22   C21  C14  C13     0.00   0.0  0
 Q5Z  CONST_08  C12   C11  C22  C21     0.00   0.0  0
 Q5Z  CONST_09  C12   C13  C14  C21     0.00   0.0  0
 Q5Z  CONST_12  C04   C03  C29  C26     0.00   0.0  0
 Q5Z  CONST_13  C04   C05  C25  C26     0.00   0.0  0
 Q5Z  CONST_14  C06   C05  C25  C26   180.00   0.0  0
 Q5Z  CONST_15  C06   C05  C04  C03   180.00   0.0  0
 Q5Z  CONST_16  C25   C05  C04  C03     0.00   0.0  0
 Q5Z  CONST_17  C25   C26  C29  C03     0.00   0.0  0
 Q5Z  CONST_20  C29   C03  C04  C05     0.00   0.0  0
 Q5Z  CONST_21  N08   C07  C06  C05   180.00   0.0  0
 Q5Z  CONST_22  C29   C26  C25  C05     0.00   0.0  0
 Q5Z  CONST_23  C09   N08  C07  C06     0.00   0.0  0
 Q5Z  CONST_24  C09   C10  C23  C06     0.00   0.0  0
 Q5Z  CONST_25  C11   C10  C23  C06   180.00   0.0  0
 Q5Z  CONST_28  N08   C09  C10  C11   180.00   0.0  0
 Q5Z  CONST_29  C14   C21  C22  C11     0.00   0.0  0
 Q5Z  CONST_30  C14   C13  C12  C11     0.00   0.0  0
 Q5Z  CONST_32  N08   C07  C06  C23     0.00   0.0  0
 Q5Z  CONST_34  N08   C09  C10  C23     0.00   0.0  0
 Q5Z  CONST_35  C22   C21  C14  C15   180.00   0.0  0
 Q5Z  CONST_36  C12   C13  C14  C15   180.00   0.0  0
 Q5Z  CONST_37  C07   C06  C23  C24   180.00   0.0  0
 Q5Z  CONST_38  C05   C06  C23  C24     0.00   0.0  0
 Q5Z  CONST_39  C09   C10  C23  C24   180.00   0.0  0
 Q5Z  CONST_40  C11   C10  C23  C24     0.00   0.0  0
 Q5Z  CONST_41  O02   C03  C29  C26   180.00   0.0  0
 Q5Z  CONST_42  O27   C26  C29  C03   180.00   0.0  0
 Q5Z  CONST_43  O30   C29  C03  C04   180.00   0.0  0
 Q5Z  CONST_44  O02   C03  C04  C05   180.00   0.0  0
 Q5Z  CONST_45  O27   C26  C25  C05   180.00   0.0  0
 Q5Z  CONST_46  O30   C29  C26  C25   180.00   0.0  0
 Q5Z  CONST_47  H221  C22  C11  C10     0.00   0.0  0
 Q5Z  CONST_48  H121  C12  C11  C10     0.00   0.0  0
 Q5Z  CONST_49  H211  C21  C14  C13   180.00   0.0  0
 Q5Z  CONST_50  H131  C13  C14  C15     0.00   0.0  0
 Q5Z  CONST_51  H251  C25  C05  C04   180.00   0.0  0
 Q5Z  CONST_52  H071  C07  C06  C05     0.00   0.0  0
 Q5Z  CONST_53  H041  C04  C05  C06     0.00   0.0  0
 Q5Z  CONST_54  H091  C09  N08  C07   180.00   0.0  0
 Q5Z  Var_01    N18   C19  C20  C15   -25.83  30.0  1
 Q5Z  Var_02    N18   C17  C16  C15   -22.40  30.0  1
 Q5Z  Var_03    C20   C19  N18  C17   -35.23  30.0  1
 Q5Z  Var_04    C19   N18  C17  C16    61.75  30.0  1
 Q5Z  Var_05    C29   C26  O27  C28  -179.64  30.0  2
 Q5Z  Var_06    C04   C03  O02  C01    -2.22  30.0  2
 Q5Z  Var_07    H243  C24  C23  C10  -146.72  30.0  2
 Q5Z  Var_08    H281  C28  O27  C26  -179.02  30.0  3
 Q5Z  Var_09    H011  C01  O02  C03  -178.38  30.0  3
 Q5Z  Var_10    H312  C31  O30  C29  -177.29  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
 Q5Z  chir_01  C15  C14  C20  C16  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
 Q5Z  plan-1  C10   0.020
 Q5Z  plan-1  C13   0.020
 Q5Z  plan-1  C15   0.020
 Q5Z  plan-1  C21   0.020
 Q5Z  plan-1  C22   0.020
 Q5Z  plan-1  C11   0.020
 Q5Z  plan-1  C12   0.020
 Q5Z  plan-1  C14   0.020
 Q5Z  plan-1  H131  0.020
 Q5Z  plan-1  H211  0.020
 Q5Z  plan-1  H221  0.020
 Q5Z  plan-1  H121  0.020
 Q5Z  plan-2  C26   0.020
 Q5Z  plan-2  C03   0.020
 Q5Z  plan-2  C04   0.020
 Q5Z  plan-2  C05   0.020
 Q5Z  plan-2  C06   0.020
 Q5Z  plan-2  C25   0.020
 Q5Z  plan-2  C29   0.020
 Q5Z  plan-2  O27   0.020
 Q5Z  plan-2  O30   0.020
 Q5Z  plan-2  H041  0.020
 Q5Z  plan-2  H251  0.020
 Q5Z  plan-2  O02   0.020
 Q5Z  plan-3  C10   0.020
 Q5Z  plan-3  C24   0.020
 Q5Z  plan-3  C05   0.020
 Q5Z  plan-3  C06   0.020
 Q5Z  plan-3  C07   0.020
 Q5Z  plan-3  C09   0.020
 Q5Z  plan-3  C11   0.020
 Q5Z  plan-3  C23   0.020
 Q5Z  plan-3  N08   0.020
 Q5Z  plan-3  H071  0.020
 Q5Z  plan-3  H091  0.020

