# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon May  4 21:07:51 2020
#   Inital geometry file: a 175 line input string
#   Ligand name: ethyl (4R)-4-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3
#
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
 G75  G75  'ethyl (4R)-4-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate'  ligand  72  37  .  2021-08-10  2021-08-10  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as GRAND
;

data_comp_G75
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
 G75  O88   O  O     0  -0.461   6.2269  -1.4949  -0.4561
 G75  C84   C  C     0   0.613   5.0915  -1.7318  -0.7902
 G75  O86   O  O2    0  -0.452   4.7318  -2.8240  -1.4447
 G75  C3    C  CH2   0  -0.160   5.7444  -3.7770  -1.8007
 G75  C5    C  CH3   0  -0.652   5.0731  -4.9093  -2.5378
 G75  C82   C  CH2   0  -0.578   3.9090  -0.8332  -0.5409
 G75  C63   C  CH2   0  -0.414   4.2242   0.3447   0.3666
 G75  C57   C  CH1   0  -0.104   3.0647   1.3353   0.4450
 G75  C59   C  CH2   0  -0.403   3.3195   2.4823   1.4269
 G75  C61   C  CR15  0  -0.406   4.6029   3.2904   1.2085
 G75  C65   C  CR5   0   0.553   4.6116   3.9455  -0.1663
 G75  O66   O  O     0  -0.449   4.8380   3.4063  -1.2315
 G75  N69   N  NR15  0  -0.616   4.2950   5.2469   0.0075
 G75  C71   C  CH2   0  -0.251   4.0326   5.6314   1.3740
 G75  C73   C  CH2   0  -0.450   4.6863   4.4884   2.1574
 G75  N49   N  NH1   0  -0.636   1.8322   0.6715   0.8333
 G75  C39   C  C     0   0.560   0.7610   0.5245   0.0301
 G75  O47   O  O     0  -0.435   0.6944   0.9422  -1.1094
 G75  C37   C  CH1   0  -0.197  -0.3814  -0.2907   0.6283
 G75  C41   C  CH2   0  -0.523  -0.1742  -1.7762   0.2409
 G75  C51   C  CR6   0   0.156  -1.3761  -2.6113   0.5714
 G75  C55   C  CR16  0  -0.281  -2.3681  -2.8255  -0.3803
 G75  C11   C  CR16  0  -0.215  -3.5201  -3.5294  -0.0606
 G75  C9    C  CR16  0  -0.239  -3.6948  -4.0321   1.2201
 G75  C7    C  CR16  0  -0.206  -2.7075  -3.8322   2.1743
 G75  C53   C  CR16  0  -0.248  -1.5605  -3.1256   1.8502
 G75  N33   N  NH1   0  -0.658  -1.6226   0.2277   0.1343
 G75  C31   C  C     0   0.770  -2.7430   0.2341   0.8916
 G75  O35   O  O     0  -0.467  -2.7882   0.0012   2.0754
 G75  O1    O  O2    0  -0.473  -3.8054   0.5541   0.1408
 G75  C1    C  CH2   0  -0.224  -5.0734   0.5271   0.7904
 G75  C2    C  CR6   0   0.100  -6.1246   0.5535  -0.2773
 G75  C4    C  CR16  0  -0.258  -6.2609  -0.5275  -1.1449
 G75  C6    C  CR16  0  -0.212  -7.2289  -0.5173  -2.1348
 G75  C8    C  CR16  0  -0.236  -8.0766   0.5754  -2.2694
 G75  C12   C  CR16  0  -0.210  -7.9487   1.6546  -1.4101
 G75  C10   C  CR16  0  -0.281  -6.9737   1.6423  -0.4211
 G75  H821  H  HCH2  0   0.280   3.5437  -0.4837  -1.5127
 G75  H822  H  HCH2  0   0.258   3.1032  -1.4420  -0.1254
 G75  H31C  H  HCH2  0   0.221   6.4985  -3.2968  -2.4273
 G75  H32C  H  HCH2  0   0.221   6.2409  -4.1415  -0.8995
 G75  H51C  H  HCH3  0   0.227   4.3336  -5.4090  -1.9135
 G75  H52C  H  HCH3  0   0.229   4.5856  -4.5625  -3.4480
 G75  H53C  H  HCH3  0   0.229   5.8254  -5.6437  -2.8208
 G75  H631  H  HCH2  0   0.218   4.4810  -0.0152   1.3682
 G75  H632  H  HCH2  0   0.250   5.0991   0.8714  -0.0143
 G75  H57   H  HCH1  0   0.282   2.8873   1.7413  -0.5514
 G75  H591  H  HCH2  0   0.247   2.4505   3.1461   1.4027
 G75  H592  H  HCH2  0   0.218   3.3624   2.0776   2.4442
 G75  H49   H  HNH1  0   0.361   1.7748   0.3187   1.7749
 G75  H61   H  HCR5  0   0.276   5.4705   2.6375   1.3108
 G75  H731  H  HCH2  0   0.239   4.2014   4.3109   3.1167
 G75  H732  H  HCH2  0   0.249   5.7305   4.7329   2.3564
 G75  H69   H  HNR5  0   0.367   4.1119   5.8464  -0.7800
 G75  H711  H  HCH2  0   0.233   4.4767   6.5992   1.6088
 G75  H712  H  HCH2  0   0.223   2.9588   5.7052   1.5738
 G75  H37   H  HCH1  0   0.267  -0.4006  -0.2062   1.7169
 G75  H411  H  HCH2  0   0.256   0.0370  -1.8321  -0.8303
 G75  H412  H  HCH2  0   0.236   0.7136  -2.1561   0.7546
 G75  H33   H  HNH1  0   0.381  -1.6842   0.4404  -0.8487
 G75  H55   H  HCR6  0   0.218  -2.2386  -2.4414  -1.3851
 G75  H53   H  HCR6  0   0.206  -0.8006  -2.9641   2.6054
 G75  H11   H  HCR6  0   0.217  -4.2787  -3.6918  -0.8161
 G75  H9    H  HCR6  0   0.222  -4.5917  -4.5826   1.4719
 G75  H7    H  HCR6  0   0.223  -2.8340  -4.2236   3.1752
 G75  H11C  H  HCH2  0   0.243  -5.1623  -0.3763   1.3982
 G75  H12C  H  HCH2  0   0.224  -5.1759   1.3839   1.4614
 G75  H4    H  HCR6  0   0.230  -5.6038  -1.3830  -1.0393
 G75  H10   H  HCR6  0   0.221  -6.8734   2.4918   0.2437
 G75  H6    H  HCR6  0   0.223  -7.3273  -1.3636  -2.8020
 G75  H8    H  HCR6  0   0.225  -8.8341   0.5827  -3.0419
 G75  H12   H  HCR6  0   0.225  -8.6029   2.5104  -1.5103

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
 G75  O88  C84   double    1.207  0.020  1.207
 G75  C84  O86   single    1.323  0.020  1.323
 G75  C84  C82   single    1.506  0.020  1.506
 G75  O86  C3    single    1.435  0.020  1.435
 G75  C3   C5    single    1.509  0.020  1.509
 G75  C82  C63   single    1.520  0.020  1.520
 G75  C63  C57   single    1.527  0.020  1.527
 G75  C57  C59   single    1.531  0.020  1.531
 G75  C57  N49   single    1.453  0.020  1.453
 G75  C59  C61   single    1.532  0.020  1.532
 G75  C61  C65   single    1.523  0.020  1.523
 G75  C61  C73   single    1.531  0.020  1.531
 G75  C65  O66   double    1.215  0.020  1.215
 G75  C65  N69   single    1.351  0.020  1.351
 G75  N69  C71   single    1.444  0.020  1.444
 G75  C71  C73   single    1.532  0.020  1.532
 G75  N49  C39   single    1.347  0.020  1.347
 G75  C39  O47   double    1.215  0.020  1.215
 G75  C39  C37   single    1.526  0.020  1.526
 G75  C37  C41   single    1.549  0.020  1.549
 G75  C37  N33   single    1.433  0.020  1.433
 G75  C41  C51   single    1.500  0.020  1.500
 G75  C51  C55   aromatic  1.391  0.020  1.391
 G75  C51  C53   aromatic  1.391  0.020  1.391
 G75  C55  C11   aromatic  1.387  0.020  1.387
 G75  C11  C9    aromatic  1.387  0.020  1.387
 G75  C9   C7    aromatic  1.388  0.020  1.388
 G75  C7   C53   aromatic  1.386  0.020  1.386
 G75  N33  C31   single    1.352  0.020  1.352
 G75  C31  O35   double    1.207  0.020  1.207
 G75  C31  O1    single    1.340  0.020  1.340
 G75  O1   C1    single    1.425  0.020  1.425
 G75  C1   C2    single    1.499  0.020  1.499
 G75  C2   C4    aromatic  1.393  0.020  1.393
 G75  C2   C10   aromatic  1.388  0.020  1.388
 G75  C4   C6    aromatic  1.385  0.020  1.385
 G75  C6   C8    aromatic  1.389  0.020  1.389
 G75  C8   C12   aromatic  1.385  0.020  1.385
 G75  C12  C10   aromatic  1.389  0.020  1.389
 G75  C82  H821  single    0.970  0.020  1.090
 G75  C82  H822  single    0.970  0.020  1.090
 G75  C3   H31C  single    0.970  0.020  1.090
 G75  C3   H32C  single    0.970  0.020  1.090
 G75  C5   H51C  single    0.970  0.020  1.090
 G75  C5   H52C  single    0.970  0.020  1.090
 G75  C5   H53C  single    0.970  0.020  1.090
 G75  C63  H631  single    0.970  0.020  1.090
 G75  C63  H632  single    0.970  0.020  1.090
 G75  C57  H57   single    0.970  0.020  1.090
 G75  C59  H591  single    0.970  0.020  1.090
 G75  C59  H592  single    0.970  0.020  1.090
 G75  N49  H49   single    0.860  0.020  1.020
 G75  C61  H61   single    0.970  0.020  1.090
 G75  C73  H731  single    0.970  0.020  1.090
 G75  C73  H732  single    0.970  0.020  1.090
 G75  N69  H69   single    0.860  0.020  1.020
 G75  C71  H711  single    0.970  0.020  1.090
 G75  C71  H712  single    0.970  0.020  1.090
 G75  C37  H37   single    0.970  0.020  1.090
 G75  C41  H411  single    0.970  0.020  1.090
 G75  C41  H412  single    0.970  0.020  1.090
 G75  N33  H33   single    0.860  0.020  1.020
 G75  C55  H55   single    0.930  0.020  1.080
 G75  C53  H53   single    0.930  0.020  1.080
 G75  C11  H11   single    0.930  0.020  1.080
 G75  C9   H9    single    0.930  0.020  1.080
 G75  C7   H7    single    0.930  0.020  1.080
 G75  C1   H11C  single    0.970  0.020  1.090
 G75  C1   H12C  single    0.970  0.020  1.090
 G75  C4   H4    single    0.930  0.020  1.080
 G75  C10  H10   single    0.930  0.020  1.080
 G75  C6   H6    single    0.930  0.020  1.080
 G75  C8   H8    single    0.930  0.020  1.080
 G75  C12  H12   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
 G75  C82   C84  O86   111.16  3.000
 G75  C82   C84  O88   125.15  3.000
 G75  O86   C84  O88   123.69  3.000
 G75  C3    O86  C84   118.61  3.000
 G75  H32C  C3   H31C  107.86  3.000
 G75  H32C  C3   C5    110.80  3.000
 G75  H31C  C3   C5    110.92  3.000
 G75  H32C  C3   O86   109.74  3.000
 G75  H31C  C3   O86   109.73  3.000
 G75  C5    C3   O86   107.79  3.000
 G75  H53C  C5   H52C  107.87  3.000
 G75  H53C  C5   H51C  107.97  3.000
 G75  H52C  C5   H51C  108.73  3.000
 G75  H53C  C5   C3    109.01  3.000
 G75  H52C  C5   C3    111.62  3.000
 G75  H51C  C5   C3    111.50  3.000
 G75  H822  C82  H821  105.63  3.000
 G75  H822  C82  C63   110.97  3.000
 G75  H821  C82  C63   110.59  3.000
 G75  H822  C82  C84   108.04  3.000
 G75  H821  C82  C84   107.78  3.000
 G75  C63   C82  C84   113.48  3.000
 G75  H632  C63  H631  106.87  3.000
 G75  H632  C63  C57   108.30  3.000
 G75  H631  C63  C57   110.15  3.000
 G75  H632  C63  C82   109.40  3.000
 G75  H631  C63  C82   109.89  3.000
 G75  C57   C63  C82   112.08  3.000
 G75  H57   C57  N49   106.04  3.000
 G75  H57   C57  C59   109.52  3.000
 G75  N49   C57  C59   108.19  3.000
 G75  H57   C57  C63   108.55  3.000
 G75  N49   C57  C63   111.19  3.000
 G75  C59   C57  C63   113.11  3.000
 G75  H592  C59  H591  106.01  3.000
 G75  H592  C59  C61   107.12  3.000
 G75  H591  C59  C61   110.01  3.000
 G75  H592  C59  C57   108.98  3.000
 G75  H591  C59  C57   107.95  3.000
 G75  C61   C59  C57   116.30  3.000
 G75  H61   C61  C73   111.53  3.000
 G75  H61   C61  C65   109.74  3.000
 G75  C73   C61  C65   102.86  3.000
 G75  H61   C61  C59   109.71  3.000
 G75  C73   C61  C59   111.72  3.000
 G75  C65   C61  C59   111.12  3.000
 G75  N69   C65  O66   125.73  3.000
 G75  N69   C65  C61   107.28  3.000
 G75  O66   C65  C61   126.98  3.000
 G75  H69   N69  C71   123.29  3.000
 G75  H69   N69  C65   121.06  3.000
 G75  C71   N69  C65   114.90  3.000
 G75  H712  C71  H711  107.47  3.000
 G75  H712  C71  C73   112.05  3.000
 G75  H711  C71  C73   112.22  3.000
 G75  H712  C71  N69   111.66  3.000
 G75  H711  C71  N69   111.48  3.000
 G75  C73   C71  N69   101.99  3.000
 G75  H732  C73  H731  107.58  3.000
 G75  H732  C73  C71   109.54  3.000
 G75  H731  C73  C71   112.45  3.000
 G75  H732  C73  C61   109.92  3.000
 G75  H731  C73  C61   113.21  3.000
 G75  C71   C73  C61   104.10  3.000
 G75  H49   N49  C39   118.29  3.000
 G75  H49   N49  C57   117.27  3.000
 G75  C39   N49  C57   124.42  3.000
 G75  C37   C39  O47   120.67  3.000
 G75  C37   C39  N49   114.84  3.000
 G75  O47   C39  N49   124.41  3.000
 G75  H37   C37  N33   107.49  3.000
 G75  H37   C37  C41   109.02  3.000
 G75  N33   C37  C41   112.13  3.000
 G75  H37   C37  C39   111.26  3.000
 G75  N33   C37  C39   108.67  3.000
 G75  C41   C37  C39   108.31  3.000
 G75  H412  C41  H411  106.60  3.000
 G75  H412  C41  C51   110.69  3.000
 G75  H411  C41  C51   110.01  3.000
 G75  H412  C41  C37   108.92  3.000
 G75  H411  C41  C37   108.66  3.000
 G75  C51   C41  C37   111.81  3.000
 G75  C53   C51  C55   118.52  3.000
 G75  C53   C51  C41   120.98  3.000
 G75  C55   C51  C41   120.41  3.000
 G75  H55   C55  C11   119.53  3.000
 G75  H55   C55  C51   119.63  3.000
 G75  C11   C55  C51   120.83  3.000
 G75  H11   C11  C9    120.11  3.000
 G75  H11   C11  C55   119.80  3.000
 G75  C9    C11  C55   120.08  3.000
 G75  H9    C9   C7    120.20  3.000
 G75  H9    C9   C11   120.25  3.000
 G75  C7    C9   C11   119.55  3.000
 G75  H7    C7   C53   119.84  3.000
 G75  H7    C7   C9    120.05  3.000
 G75  C53   C7   C9    120.11  3.000
 G75  H53   C53  C7    119.57  3.000
 G75  H53   C53  C51   119.53  3.000
 G75  C7    C53  C51   120.90  3.000
 G75  H33   N33  C31   119.65  3.000
 G75  H33   N33  C37   117.75  3.000
 G75  C31   N33  C37   121.75  3.000
 G75  O1    C31  O35   124.46  3.000
 G75  O1    C31  N33   110.14  3.000
 G75  O35   C31  N33   125.39  3.000
 G75  C1    O1   C31   116.47  3.000
 G75  H12C  C1   H11C  107.39  3.000
 G75  H12C  C1   C2    110.96  3.000
 G75  H11C  C1   C2    110.72  3.000
 G75  H12C  C1   O1    110.40  3.000
 G75  H11C  C1   O1    109.98  3.000
 G75  C2    C1   O1    107.40  3.000
 G75  C10   C2   C4    118.97  3.000
 G75  C10   C2   C1    121.11  3.000
 G75  C4    C2   C1    119.92  3.000
 G75  H4    C4   C6    119.95  3.000
 G75  H4    C4   C2    119.51  3.000
 G75  C6    C4   C2    120.53  3.000
 G75  H6    C6   C8    119.99  3.000
 G75  H6    C6   C4    119.91  3.000
 G75  C8    C6   C4    120.10  3.000
 G75  H8    C8   C12   120.15  3.000
 G75  H8    C8   C6    120.10  3.000
 G75  C12   C8   C6    119.75  3.000
 G75  H12   C12  C10   119.84  3.000
 G75  H12   C12  C8    120.19  3.000
 G75  C10   C12  C8    119.97  3.000
 G75  H10   C10  C12   119.67  3.000
 G75  H10   C10  C2    119.66  3.000
 G75  C12   C10  C2    120.67  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
 G75  CONST_01  C9    C11  C55  C51     0.00   0.0  0
 G75  CONST_02  C9    C7   C53  C51     0.00   0.0  0
 G75  CONST_03  C7    C53  C51  C55     0.00   0.0  0
 G75  CONST_04  C7    C9   C11  C55     0.00   0.0  0
 G75  CONST_05  C53   C51  C55  C11     0.00   0.0  0
 G75  CONST_06  C53   C7   C9   C11     0.00   0.0  0
 G75  CONST_07  C8    C6   C4   C2      0.00   0.0  0
 G75  CONST_08  C8    C12  C10  C2      0.00   0.0  0
 G75  CONST_09  C12   C10  C2   C4      0.00   0.0  0
 G75  CONST_10  C12   C8   C6   C4      0.00   0.0  0
 G75  CONST_11  C10   C2   C4   C6      0.00   0.0  0
 G75  CONST_12  C10   C12  C8   C6      0.00   0.0  0
 G75  CONST_13  C71   N69  C65  C61     0.00   0.0  0
 G75  CONST_14  C11   C55  C51  C41   180.00   0.0  0
 G75  CONST_15  C7    C53  C51  C41   180.00   0.0  0
 G75  CONST_16  C6    C4   C2   C1    180.00   0.0  0
 G75  CONST_17  C12   C10  C2   C1    180.00   0.0  0
 G75  CONST_18  C71   N69  C65  O66   180.00   0.0  0
 G75  CONST_19  H11   C11  C55  C51   180.00   0.0  0
 G75  CONST_20  H7    C7   C53  C51   180.00   0.0  0
 G75  CONST_21  H53   C53  C51  C55   180.00   0.0  0
 G75  CONST_22  H9    C9   C11  C55   180.00   0.0  0
 G75  CONST_23  H55   C55  C11  C9    180.00   0.0  0
 G75  CONST_24  H6    C6   C4   C2    180.00   0.0  0
 G75  CONST_25  H12   C12  C10  C2    180.00   0.0  0
 G75  CONST_26  H10   C10  C2   C4    180.00   0.0  0
 G75  CONST_27  H8    C8   C6   C4    180.00   0.0  0
 G75  CONST_28  H4    C4   C6   C8    180.00   0.0  0
 G75  CONST_29  H69   N69  C65  C61   180.00   0.0  0
 G75  CONST_30  O47   C39  N49  C57     0.00   0.0  0
 G75  CONST_31  C37   C39  N49  C57   180.00   0.0  0
 G75  CONST_32  H49   N49  C39  O47   180.00   0.0  0
 G75  Var_01    N69   C71  C73  C61   -28.21  30.0  1
 G75  Var_02    C73   C71  N69  C65    18.68  30.0  1
 G75  Var_03    C55   C51  C41  C37    92.53  30.0  2
 G75  Var_04    C4    C2   C1   O1     66.38  30.0  2
 G75  Var_05    C2    C1   O1   C31  -165.36  30.0  3
 G75  Var_06    C63   C82  C84  O88    -8.48  30.0  3
 G75  Var_07    C5    C3   O86  C84  -179.65  30.0  3
 G75  Var_08    C57   C63  C82  C84   172.18  30.0  3
 G75  Var_09    C82   C84  O86  C3    178.24  30.0  1
 G75  Var_10    O35   C31  N33  C37    11.11  30.0  2
 G75  Var_11    H51C  C5   C3   O86   -61.08  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
 G75  chir_01  C57  C63  C59  N49  positiv
 G75  chir_02  C61  C73  C65  C59  positiv
 G75  chir_03  C37  N33  C39  C41  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
 G75  plan-1  C41  0.020
 G75  plan-1  C51  0.020
 G75  plan-1  C55  0.020
 G75  plan-1  C11  0.020
 G75  plan-1  C9   0.020
 G75  plan-1  C7   0.020
 G75  plan-1  C53  0.020
 G75  plan-1  H55  0.020
 G75  plan-1  H53  0.020
 G75  plan-1  H11  0.020
 G75  plan-1  H9   0.020
 G75  plan-1  H7   0.020
 G75  plan-2  C1   0.020
 G75  plan-2  C2   0.020
 G75  plan-2  C4   0.020
 G75  plan-2  C6   0.020
 G75  plan-2  C8   0.020
 G75  plan-2  C12  0.020
 G75  plan-2  C10  0.020
 G75  plan-2  H4   0.020
 G75  plan-2  H10  0.020
 G75  plan-2  H6   0.020
 G75  plan-2  H8   0.020
 G75  plan-2  H12  0.020
 G75  plan-3  C57  0.020
 G75  plan-3  N49  0.020
 G75  plan-3  C39  0.020
 G75  plan-3  O47  0.020
 G75  plan-3  C37  0.020
 G75  plan-3  H49  0.020
 G75  plan-4  C61  0.020
 G75  plan-4  C65  0.020
 G75  plan-4  O66  0.020
 G75  plan-4  N69  0.020
 G75  plan-4  C71  0.020
 G75  plan-4  H69  0.020
 G75  plan-5  O88  0.020
 G75  plan-5  C84  0.020
 G75  plan-5  O86  0.020
 G75  plan-5  C82  0.020
 G75  plan-6  N33  0.020
 G75  plan-6  C31  0.020
 G75  plan-6  O35  0.020
 G75  plan-6  O1   0.020

