# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Mar 11 19:39:04 2022
#   Inital geometry file: a 167 line input string
#   Ligand name: 2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN1C[C@@H](C[C@@H](C1)c2ccc(OCc3ccccc3)cc2)NC4=Nc5cc[nH]c5C(=O)N4CC=C
#
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
 G09  G09  2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one  ligand  66  35  .  2022-03-18  2022-03-18
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as GRAND
;

data_comp_G09
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
 G09  C13   C  CH1   0  -0.357  -42.4710  10.1515  -39.8368
 G09  C17   C  CH2   0  -0.262  -42.0163  12.9094  -40.5766
 G09  C20   C  CR16  0  -0.364  -43.1024   6.7498  -38.2308
 G09  C21   C  CR6   0   0.367  -43.2419   7.0829  -36.8877
 G09  C22   C  CR16  0  -0.327  -43.1027   8.4182  -36.5030
 G09  C26   C  CR6   0   0.101  -44.0266   4.1050  -34.9731
 G09  C28   C  CR16  0  -0.240  -45.6413   3.1691  -33.4415
 G09  C02   C  CR6   0   0.545  -46.4297  15.6230  -42.6883
 G09  C03   C  CR56  0   0.122  -45.6483  15.5583  -43.8671
 G09  C05   C  CR15  0  -0.018  -44.8127  15.8548  -45.8876
 G09  C06   C  CR15  0  -0.422  -43.9824  14.9527  -45.2572
 G09  C07   C  CR56  0   0.202  -44.5178  14.7607  -43.9600
 G09  C09   C  CR6   0   0.729  -44.7962  13.9987  -41.8550
 G09  C11   C  CH1   0  -0.046  -43.3603  12.2571  -40.8827
 G09  C12   C  CH2   0  -0.455  -43.6371  11.1378  -39.8891
 G09  C14   C  CH2   0  -0.244  -41.1597  10.9001  -39.5993
 G09  C18   C  CR6   0   0.168  -42.7099   9.0815  -38.8022
 G09  C19   C  CR16  0  -0.323  -42.8381   7.7483  -39.1642
 G09  C23   C  CR16  0  -0.300  -42.8440   9.3934  -37.4466
 G09  C25   C  CH2   0  -0.266  -43.7079   4.8391  -36.2404
 G09  C27   C  CR16  0  -0.296  -45.3448   3.8222  -34.6309
 G09  C29   C  CR16  0  -0.260  -44.6181   2.7975  -32.5803
 G09  C30   C  CR16  0  -0.240  -43.2985   3.0783  -32.9134
 G09  C31   C  CR16  0  -0.287  -43.0062   3.7283  -34.1036
 G09  C34   C  C1    0  -0.179  -47.4512  13.7184  -40.0870
 G09  C35   C  C2    0  -0.525  -47.4323  13.0192  -38.9584
 G09  N04   N  NR15  0  -0.647  -45.8122  16.2160  -45.0537
 G09  N08   N  N     0  -0.529  -44.0953  13.9578  -42.9491
 G09  N10   N  NH1   0  -0.715  -44.4386  13.2235  -40.8055
 G09  N15   N  NT    0  -0.417  -40.9560  11.9244  -40.6056
 G09  N32   N  NR6   0  -0.597  -45.9008  14.8165  -41.6663
 G09  O01   O  O     0  -0.485  -47.4404  16.2913  -42.5186
 G09  O24   O  O2    0  -0.467  -43.5141   6.2046  -35.9003
 G09  H131  H  HCH1  0   0.246  -42.3949   9.6657  -40.8154
 G09  H171  H  HCH2  0   0.240  -41.8071  13.6770  -41.3245
 G09  H172  H  HCH2  0   0.186  -42.0824  13.4175  -39.5971
 G09  H201  H  HCR6  0   0.276  -43.1990   5.7293  -38.5763
 G09  H221  H  HCR6  0   0.256  -43.2083   8.6849  -35.4585
 G09  H281  H  HCR6  0   0.256  -46.6708   2.9513  -33.1883
 G09  H051  H  HCR5  0   0.283  -44.7516  16.2637  -46.8833
 G09  H061  H  HCR5  0   0.249  -43.1051  14.4901  -45.6796
 G09  H111  H  HCH1  0   0.238  -43.3167  11.8389  -41.8926
 G09  H121  H  HCH2  0   0.230  -43.7938  11.5734  -38.8950
 G09  H122  H  HCH2  0   0.255  -44.5585  10.6158  -40.1598
 G09  H142  H  HCH2  0   0.240  -40.3273  10.1934  -39.6443
 G09  H141  H  HCH2  0   0.190  -41.1575  11.3322  -38.5821
 G09  H162  H  HCH3  0   0.232  -38.8720  11.7894  -40.5415
 G09  H161  H  HCH3  0   0.233  -39.5005  13.2600  -41.2835
 G09  H163  H  HCH3  0   0.191  -39.5253  13.0811  -39.5224
 G09  H191  H  HCR6  0   0.249  -42.7390   7.4665  -40.2063
 G09  H231  H  HCR6  0   0.248  -42.7553  10.4206  -37.1123
 G09  H251  H  HCH2  0   0.240  -44.5285   4.7352  -36.9585
 G09  H252  H  HCH2  0   0.238  -42.8033   4.4314  -36.7052
 G09  H271  H  HCR6  0   0.253  -46.1463   4.1104  -35.3009
 G09  H291  H  HCR6  0   0.257  -44.8470   2.2873  -31.6535
 G09  H301  H  HCR6  0   0.256  -42.4972   2.7869  -32.2467
 G09  H311  H  HCR6  0   0.253  -41.9751   3.9383  -34.3630
 G09  H332  H  HCH2  0   0.286  -45.7943  14.9982  -39.5824
 G09  H331  H  HCH2  0   0.301  -47.1413  15.8049  -40.3521
 G09  H1    H  H     0   0.266  -48.1624  13.4727  -40.8693
 G09  H2    H  H     0   0.252  -48.1194  12.2014  -38.7888
 G09  H351  H  H     0   0.250  -46.7335  13.2444  -38.1600
 G09  H041  H  HNR5  0   0.413  -46.5487  16.8678  -45.2696
 G09  H101  H  HNH1  0   0.417  -45.1278  13.0399  -40.0954
 G09  C16   C  CH3   0  -0.516  -39.6565  12.5444  -40.4748
 G09  C33   C  CH2   0  -0.429  -46.5540  14.8889  -40.3589

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
 G09  C05  C06   aromatic  1.379  0.020  1.379
 G09  C05  N04   aromatic  1.351  0.020  1.351
 G09  C06  C07   aromatic  1.416  0.020  1.416
 G09  N04  C03   aromatic  1.367  0.020  1.367
 G09  C07  C03   aromatic  1.387  0.020  1.387
 G09  C07  N08   single    1.358  0.020  1.358
 G09  C03  C02   single    1.416  0.020  1.416
 G09  N08  C09   double    1.300  0.020  1.300
 G09  O01  C02   double    1.224  0.020  1.224
 G09  C02  N32   single    1.405  0.020  1.405
 G09  C09  N32   single    1.387  0.020  1.387
 G09  C09  N10   single    1.353  0.020  1.353
 G09  N32  C33   single    1.463  0.020  1.463
 G09  C11  N10   single    1.450  0.020  1.450
 G09  C11  C17   single    1.525  0.020  1.525
 G09  C11  C12   single    1.522  0.020  1.522
 G09  C17  N15   single    1.448  0.020  1.448
 G09  N15  C16   single    1.446  0.020  1.446
 G09  N15  C14   single    1.450  0.020  1.450
 G09  C33  C34   single    1.500  0.020  1.500
 G09  C34  C35   double    1.328  0.020  1.328
 G09  C13  C12   single    1.528  0.020  1.528
 G09  C13  C14   single    1.529  0.020  1.529
 G09  C13  C18   single    1.507  0.020  1.507
 G09  C19  C18   aromatic  1.387  0.020  1.387
 G09  C19  C20   aromatic  1.392  0.020  1.392
 G09  C18  C23   aromatic  1.397  0.020  1.397
 G09  C20  C21   aromatic  1.391  0.020  1.391
 G09  C23  C22   aromatic  1.381  0.020  1.381
 G09  C21  C22   aromatic  1.397  0.020  1.397
 G09  C21  O24   single    1.349  0.020  1.349
 G09  C25  O24   single    1.421  0.020  1.421
 G09  C25  C26   single    1.499  0.020  1.499
 G09  C26  C31   aromatic  1.392  0.020  1.392
 G09  C26  C27   aromatic  1.391  0.020  1.391
 G09  C31  C30   aromatic  1.387  0.020  1.387
 G09  C27  C28   aromatic  1.389  0.020  1.389
 G09  C30  C29   aromatic  1.390  0.020  1.390
 G09  C28  C29   aromatic  1.388  0.020  1.388
 G09  C13  H131  single    0.970  0.020  1.090
 G09  C17  H171  single    0.970  0.020  1.090
 G09  C17  H172  single    0.970  0.020  1.090
 G09  C20  H201  single    0.930  0.020  1.080
 G09  C22  H221  single    0.930  0.020  1.080
 G09  C28  H281  single    0.930  0.020  1.080
 G09  C05  H051  single    0.930  0.020  1.080
 G09  C06  H061  single    0.930  0.020  1.080
 G09  C11  H111  single    0.970  0.020  1.090
 G09  C12  H121  single    0.970  0.020  1.090
 G09  C12  H122  single    0.970  0.020  1.090
 G09  C14  H142  single    0.970  0.020  1.090
 G09  C14  H141  single    0.970  0.020  1.090
 G09  C16  H162  single    0.970  0.020  1.090
 G09  C16  H161  single    0.970  0.020  1.090
 G09  C16  H163  single    0.970  0.020  1.090
 G09  C19  H191  single    0.930  0.020  1.080
 G09  C23  H231  single    0.930  0.020  1.080
 G09  C25  H251  single    0.970  0.020  1.090
 G09  C25  H252  single    0.970  0.020  1.090
 G09  C27  H271  single    0.930  0.020  1.080
 G09  C29  H291  single    0.930  0.020  1.080
 G09  C30  H301  single    0.930  0.020  1.080
 G09  C31  H311  single    0.930  0.020  1.080
 G09  C33  H332  single    0.970  0.020  1.090
 G09  C33  H331  single    0.970  0.020  1.090
 G09  C34  H1    single    0.930  0.020  1.080
 G09  C35  H2    single    0.930  0.020  1.080
 G09  C35  H351  single    0.930  0.020  1.080
 G09  N04  H041  single    0.860  0.020  1.020
 G09  N10  H101  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
 G09  H131  C13  C18   108.03  3.000
 G09  H131  C13  C14   107.25  3.000
 G09  C18   C13  C14   112.14  3.000
 G09  H131  C13  C12   107.98  3.000
 G09  C18   C13  C12   111.14  3.000
 G09  C14   C13  C12   110.11  3.000
 G09  H172  C17  H171  107.18  3.000
 G09  H172  C17  N15   111.98  3.000
 G09  H171  C17  N15   108.92  3.000
 G09  H172  C17  C11   108.77  3.000
 G09  H171  C17  C11   109.39  3.000
 G09  N15   C17  C11   110.51  3.000
 G09  H201  C20  C19   118.65  3.000
 G09  H201  C20  C21   121.69  3.000
 G09  C19   C20  C21   119.65  3.000
 G09  O24   C21  C22   116.16  3.000
 G09  O24   C21  C20   124.82  3.000
 G09  C22   C21  C20   119.01  3.000
 G09  H221  C22  C23   120.21  3.000
 G09  H221  C22  C21   119.42  3.000
 G09  C23   C22  C21   120.36  3.000
 G09  C31   C26  C27   119.07  3.000
 G09  C27   C26  C25   120.61  3.000
 G09  C31   C26  C25   120.31  3.000
 G09  H281  C28  C29   120.14  3.000
 G09  H281  C28  C27   119.87  3.000
 G09  C29   C28  C27   119.99  3.000
 G09  O01   C02  N32   121.57  3.000
 G09  N32   C02  C03   111.81  3.000
 G09  O01   C02  C03   126.61  3.000
 G09  N04   C03  C07   108.45  3.000
 G09  C07   C03  C02   122.15  3.000
 G09  N04   C03  C02   129.40  3.000
 G09  H051  C05  N04   120.71  3.000
 G09  H051  C05  C06   129.52  3.000
 G09  N04   C05  C06   109.77  3.000
 G09  H061  C06  C07   127.46  3.000
 G09  H061  C06  C05   126.29  3.000
 G09  C07   C06  C05   106.25  3.000
 G09  N08   C07  C06   130.10  3.000
 G09  N08   C07  C03   122.93  3.000
 G09  C06   C07  C03   106.95  3.000
 G09  N32   C09  N10   116.28  3.000
 G09  N10   C09  N08   119.50  3.000
 G09  N32   C09  N08   124.21  3.000
 G09  H111  C11  N10   109.49  3.000
 G09  H111  C11  C12   109.19  3.000
 G09  N10   C11  C12   108.67  3.000
 G09  H111  C11  C17   108.29  3.000
 G09  C12   C11  C17   110.11  3.000
 G09  N10   C11  C17   111.08  3.000
 G09  H122  C12  H121  107.08  3.000
 G09  H122  C12  C11   110.05  3.000
 G09  H121  C12  C11   109.01  3.000
 G09  H122  C12  C13   110.09  3.000
 G09  H121  C12  C13   109.54  3.000
 G09  C11   C12  C13   110.99  3.000
 G09  H141  C14  H142  106.81  3.000
 G09  H141  C14  N15   111.24  3.000
 G09  H142  C14  N15   108.73  3.000
 G09  H141  C14  C13   109.65  3.000
 G09  H142  C14  C13   109.29  3.000
 G09  N15   C14  C13   111.01  3.000
 G09  C23   C18  C19   117.30  3.000
 G09  C23   C18  C13   121.51  3.000
 G09  C19   C18  C13   121.17  3.000
 G09  H191  C19  C18   119.49  3.000
 G09  H191  C19  C20   118.39  3.000
 G09  C18   C19  C20   122.13  3.000
 G09  H231  C23  C18   120.19  3.000
 G09  H231  C23  C22   118.27  3.000
 G09  C18   C23  C22   121.54  3.000
 G09  H252  C25  H251  107.77  3.000
 G09  H252  C25  O24   110.28  3.000
 G09  H251  C25  O24   110.51  3.000
 G09  H252  C25  C26   110.61  3.000
 G09  H251  C25  C26   110.40  3.000
 G09  O24   C25  C26   107.30  3.000
 G09  H271  C27  C28   119.78  3.000
 G09  H271  C27  C26   119.65  3.000
 G09  C28   C27  C26   120.57  3.000
 G09  H291  C29  C30   120.08  3.000
 G09  H291  C29  C28   120.10  3.000
 G09  C30   C29  C28   119.81  3.000
 G09  H301  C30  C31   119.91  3.000
 G09  H301  C30  C29   120.06  3.000
 G09  C31   C30  C29   120.02  3.000
 G09  H311  C31  C30   119.77  3.000
 G09  H311  C31  C26   119.69  3.000
 G09  C30   C31  C26   120.54  3.000
 G09  H1    C34  C35   120.18  3.000
 G09  H1    C34  C33   115.98  3.000
 G09  C35   C34  C33   123.82  3.000
 G09  H351  C35  H2    116.80  3.000
 G09  H351  C35  C34   121.70  3.000
 G09  H2    C35  C34   121.50  3.000
 G09  H041  N04  C05   125.58  3.000
 G09  H041  N04  C03   125.84  3.000
 G09  C05   N04  C03   108.58  3.000
 G09  C09   N08  C07   116.11  3.000
 G09  H101  N10  C11   115.17  3.000
 G09  H101  N10  C09   118.09  3.000
 G09  C11   N10  C09   122.49  3.000
 G09  C16   N15  C14   111.49  3.000
 G09  C14   N15  C17   111.34  3.000
 G09  C16   N15  C17   111.39  3.000
 G09  C33   N32  C09   120.40  3.000
 G09  C33   N32  C02   116.96  3.000
 G09  C09   N32  C02   122.62  3.000
 G09  C25   O24  C21   118.56  3.000
 G09  H163  C16  H161  107.72  3.000
 G09  H163  C16  H162  107.73  3.000
 G09  H161  C16  H162  107.80  3.000
 G09  H163  C16  N15   113.23  3.000
 G09  H161  C16  N15   110.05  3.000
 G09  H162  C16  N15   110.13  3.000
 G09  H331  C33  H332  106.67  3.000
 G09  H331  C33  N32   106.75  3.000
 G09  H332  C33  N32   109.26  3.000
 G09  H331  C33  C34   109.45  3.000
 G09  H332  C33  C34   111.44  3.000
 G09  N32   C33  C34   112.98  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
 G09  CONST_01  C23   C18  C19  C20     0.00   0.0  0
 G09  CONST_02  C23   C22  C21  C20     0.00   0.0  0
 G09  CONST_03  C18   C19  C20  C21     0.00   0.0  0
 G09  CONST_04  C18   C23  C22  C21     0.00   0.0  0
 G09  CONST_05  C19   C18  C23  C22     0.00   0.0  0
 G09  CONST_06  C19   C20  C21  C22     0.00   0.0  0
 G09  CONST_07  C29   C30  C31  C26     0.00   0.0  0
 G09  CONST_08  C29   C28  C27  C26     0.00   0.0  0
 G09  CONST_09  C31   C26  C27  C28     0.00   0.0  0
 G09  CONST_10  C31   C30  C29  C28     0.00   0.0  0
 G09  CONST_11  C06   C05  N04  C03     0.00   0.0  0
 G09  CONST_12  C05   C06  C07  C03     0.00   0.0  0
 G09  CONST_13  C07   C03  N04  C05     0.00   0.0  0
 G09  CONST_14  N04   C03  C07  C06     0.00   0.0  0
 G09  CONST_15  N04   C05  C06  C07     0.00   0.0  0
 G09  CONST_16  C30   C31  C26  C27     0.00   0.0  0
 G09  CONST_17  C30   C29  C28  C27     0.00   0.0  0
 G09  CONST_18  C20   C19  C18  C13   180.00   0.0  0
 G09  CONST_19  C22   C23  C18  C13   180.00   0.0  0
 G09  CONST_20  N08   C09  N32  C02     0.00   0.0  0
 G09  CONST_21  C09   N32  C02  C03     0.00   0.0  0
 G09  CONST_22  N32   C09  N08  C07     0.00   0.0  0
 G09  CONST_23  C25   C26  C27  C28   180.00   0.0  0
 G09  CONST_24  O24   C21  C20  C19   180.00   0.0  0
 G09  CONST_25  O24   C21  C22  C23   180.00   0.0  0
 G09  CONST_26  C30   C31  C26  C25   180.00   0.0  0
 G09  CONST_27  N10   C09  N32  C02   180.00   0.0  0
 G09  CONST_28  C33   N32  C02  C03   180.00   0.0  0
 G09  CONST_29  N10   C09  N08  C07   180.00   0.0  0
 G09  CONST_30  O01   C02  N32  C09   180.00   0.0  0
 G09  CONST_31  N08   C09  N10  C11     0.00   0.0  0
 G09  CONST_32  N32   C09  N10  C11   180.00   0.0  0
 G09  CONST_33  N08   C09  N32  C33   180.00   0.0  0
 G09  CONST_34  H191  C19  C18  C13     0.00   0.0  0
 G09  CONST_35  H231  C23  C18  C13     0.00   0.0  0
 G09  CONST_36  H221  C22  C21  C20   180.00   0.0  0
 G09  CONST_37  H201  C20  C21  C22   180.00   0.0  0
 G09  CONST_38  H301  C30  C31  C26   180.00   0.0  0
 G09  CONST_39  H281  C28  C27  C26   180.00   0.0  0
 G09  CONST_40  H041  N04  C03  C02     0.00   0.0  0
 G09  CONST_41  H051  C05  N04  C03   180.00   0.0  0
 G09  CONST_42  H061  C06  C07  C03   180.00   0.0  0
 G09  CONST_43  H311  C31  C26  C27   180.00   0.0  0
 G09  CONST_44  H291  C29  C28  C27   180.00   0.0  0
 G09  CONST_45  H271  C27  C28  C29   180.00   0.0  0
 G09  CONST_46  O01   C02  N32  C33     0.00   0.0  0
 G09  CONST_47  N10   C09  N32  C33     0.00   0.0  0
 G09  Var_01    C17   N15  C14  C13    60.93  30.0  1
 G09  Var_02    C14   N15  C17  C11   -61.66  30.0  1
 G09  Var_03    C26   C25  O24  C21  -178.54  30.0  1
 G09  Var_04    C34   C33  N32  C02   102.50  30.0  3
 G09  Var_05    O24   C25  C26  C27    98.00  30.0  1
 G09  Var_06    H162  C16  N15  C17  -177.62  30.0  3
 G09  Var_07    N32   C33  C34  C35   131.79  30.0  1
 G09  Var_08    H2    C35  C34  C33   177.94   0.0  2

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
 G09  chir_01  C13  C12  C14  C18  negativ
 G09  chir_02  C11  N10  C12  C17  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
 G09  plan-1  C26   0.020
 G09  plan-1  C28   0.020
 G09  plan-1  C25   0.020
 G09  plan-1  C27   0.020
 G09  plan-1  C29   0.020
 G09  plan-1  C30   0.020
 G09  plan-1  C31   0.020
 G09  plan-1  H281  0.020
 G09  plan-1  H271  0.020
 G09  plan-1  H291  0.020
 G09  plan-1  H301  0.020
 G09  plan-1  H311  0.020
 G09  plan-2  C13   0.020
 G09  plan-2  C20   0.020
 G09  plan-2  C21   0.020
 G09  plan-2  C22   0.020
 G09  plan-2  C18   0.020
 G09  plan-2  C19   0.020
 G09  plan-2  C23   0.020
 G09  plan-2  O24   0.020
 G09  plan-2  H201  0.020
 G09  plan-2  H221  0.020
 G09  plan-2  H191  0.020
 G09  plan-2  H231  0.020
 G09  plan-3  C02   0.020
 G09  plan-3  C03   0.020
 G09  plan-3  C05   0.020
 G09  plan-3  C06   0.020
 G09  plan-3  C07   0.020
 G09  plan-3  C09   0.020
 G09  plan-3  C11   0.020
 G09  plan-3  N04   0.020
 G09  plan-3  N08   0.020
 G09  plan-3  N10   0.020
 G09  plan-3  N32   0.020
 G09  plan-3  O01   0.020
 G09  plan-3  H051  0.020
 G09  plan-3  H061  0.020
 G09  plan-3  H041  0.020
 G09  plan-3  H101  0.020
 G09  plan-3  C33   0.020
 G09  plan-4  C34   0.020
 G09  plan-4  C35   0.020
 G09  plan-4  H1    0.020
 G09  plan-4  H2    0.020
 G09  plan-4  H351  0.020
 G09  plan-4  C33   0.020

