# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Mar  9 18:40:02 2022
#   Inital geometry file: a 169 line input string
#   Ligand name: N-[(1S)-1-benzyl-3-(cyclopropylamino)-2,3-dioxopropyl]-N~2~-{[2-(2-methoxyethoxy)ethoxy]carbonyl}-L-leucinamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: COCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NC2CC2
#
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
 D7G  D7G  N-[(1S)-1-benzyl-3-(cyclopropylamino)-2,3-dioxopropyl]-N~2~-{[2-(2-methoxyethoxy)ethoxy]carbonyl}-L-leucinamide  ligand  72  35  .  2022-09-22  2023-02-15
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_D7G
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
 D7G  O1    O  O     0  -0.337  -3.5779  -1.1305  -1.4845
 D7G  C1    C  C     0   0.288  -3.6739  -0.7721  -0.3411
 D7G  C2    C  C     0   0.494  -4.6452  -1.4682   0.6247
 D7G  O2    O  O     0  -0.456  -4.7145  -1.1198   1.7912
 D7G  N1    N  NH1   0  -0.634  -5.3619  -2.4413   0.0643
 D7G  C3    C  CH1   0  -0.085  -6.3302  -3.1916   0.7951
 D7G  C4    C  CH2   0  -0.511  -6.4769  -4.6408   0.4711
 D7G  C5    C  CH2   0  -0.483  -5.8658  -4.2237   1.7737
 D7G  C6    C  CH1   0  -0.163  -2.8935   0.3938   0.2362
 D7G  N2    N  NH1   0  -0.638  -1.7113   0.6582  -0.5370
 D7G  C7    C  C     0   0.578  -0.6590  -0.1726  -0.5165
 D7G  O3    O  O     0  -0.481  -0.6546  -1.2111   0.1255
 D7G  C8    C  CH1   0  -0.217   0.5497   0.2551  -1.3406
 D7G  N3    N  NH1   0  -0.661   1.7014   0.1998  -0.4705
 D7G  C9    C  C     0   0.761   2.6701   1.1351  -0.4842
 D7G  O4    O  O     0  -0.519   2.6608   2.1464  -1.1562
 D7G  O5    O  O2    0  -0.482   3.6515   0.8080   0.3600
 D7G  C10   C  CH2   0  -0.202   4.7622   1.7000   0.4436
 D7G  C11   C  CH2   0  -0.170   5.7063   1.1770   1.4922
 D7G  O6    O  O2    0  -0.484   6.2191  -0.0662   1.0928
 D7G  C12   C  CH2   0  -0.171   7.1470  -0.5900   2.0101
 D7G  C13   C  CH2   0  -0.168   7.6163  -1.9428   1.5410
 D7G  O7    O  O2    0  -0.484   8.3306  -1.8089   0.3395
 D7G  C14   C  CH3   0  -0.395   8.7930  -3.0411  -0.1490
 D7G  C15   C  CH2   0  -0.399   0.7254  -0.6505  -2.5629
 D7G  C16   C  CH1   0  -0.266  -0.4371  -0.6503  -3.5567
 D7G  C17   C  CH3   0  -0.655  -0.7223   0.7399  -4.1190
 D7G  C18   C  CH3   0  -0.649  -0.1391  -1.6331  -4.6851
 D7G  C19   C  CH2   0  -0.574  -3.7959   1.6409   0.2698
 D7G  C20   C  CR6   0   0.146  -3.0932   2.8125   0.8984
 D7G  C21   C  CR16  0  -0.330  -2.6024   3.8537   0.1166
 D7G  C22   C  CR16  0  -0.238  -1.9215   4.9174   0.6968
 D7G  C23   C  CR16  0  -0.267  -1.7273   4.9514   2.0699
 D7G  C24   C  CR16  0  -0.239  -2.2195   3.9188   2.8600
 D7G  C25   C  CR16  0  -0.296  -2.8972   2.8583   2.2774
 D7G  HN1   H  HNH1  0   0.412  -5.2455  -2.6196  -0.9222
 D7G  H3    H  HCH1  0   0.279  -7.2319  -2.6428   1.0464
 D7G  H41   H  HCH2  0   0.263  -7.4767  -5.0538   0.4722
 D7G  H42   H  HCH2  0   0.263  -5.8208  -5.0559  -0.2840
 D7G  H51   H  HCH2  0   0.260  -4.7985  -4.3558   1.8943
 D7G  H52   H  HCH2  0   0.260  -6.4425  -4.3446   2.6810
 D7G  H6    H  HCH1  0   0.301  -2.6084   0.1473   1.2619
 D7G  HN2   H  HNH1  0   0.399  -1.6738   1.4960  -1.0947
 D7G  H8    H  HCH1  0   0.274   0.4359   1.2899  -1.6654
 D7G  HN3   H  HNH1  0   0.401   1.8468  -0.6457   0.0609
 D7G  H101  H  HCH2  0   0.242   4.4360   2.7009   0.7337
 D7G  H102  H  HCH2  0   0.239   5.2662   1.7736  -0.5233
 D7G  H111  H  HCH2  0   0.212   5.1950   1.1037   2.4626
 D7G  H112  H  HCH2  0   0.215   6.5061   1.9209   1.6109
 D7G  H121  H  HCH2  0   0.209   6.6943  -0.7110   3.0040
 D7G  H122  H  HCH2  0   0.207   8.0052   0.0866   2.1312
 D7G  H131  H  HCH2  0   0.204   6.7547  -2.6151   1.4165
 D7G  H132  H  HCH2  0   0.206   8.2457  -2.3787   2.3302
 D7G  H141  H  HCH3  0   0.203   9.4695  -3.5372   0.5575
 D7G  H142  H  HCH3  0   0.203   7.9706  -3.7337  -0.3667
 D7G  H143  H  HCH3  0   0.233   9.3380  -2.8555  -1.0741
 D7G  H151  H  HCH2  0   0.238   1.6380  -0.3295  -3.0744
 D7G  H152  H  HCH2  0   0.235   0.9075  -1.6711  -2.2132
 D7G  H16   H  HCH1  0   0.235  -1.3394  -0.9982  -3.0432
 D7G  H171  H  HCH3  0   0.222   0.1623   1.1598  -4.6033
 D7G  H172  H  HCH3  0   0.235  -1.5206   0.7005  -4.8611
 D7G  H173  H  HCH3  0   0.211  -1.0390   1.4477  -3.3509
 D7G  H181  H  HCH3  0   0.227   0.0230  -2.6417  -4.3008
 D7G  H182  H  HCH3  0   0.229  -0.9639  -1.6776  -5.3978
 D7G  H183  H  HCH3  0   0.216   0.7589  -1.3385  -5.2331
 D7G  H191  H  HCH2  0   0.281  -4.1117   1.8903  -0.7461
 D7G  H192  H  HCH2  0   0.294  -4.6987   1.3987   0.8311
 D7G  H21   H  HCR6  0   0.256  -2.7615   3.8417  -0.9561
 D7G  H22   H  HCR6  0   0.258  -1.5458   5.7191   0.0743
 D7G  H23   H  HCR6  0   0.258  -1.2004   5.7799   2.5248
 D7G  H24   H  HCR6  0   0.258  -2.0776   3.9422   3.9328
 D7G  H25   H  HCR6  0   0.252  -3.2829   2.0594   2.9008

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
 D7G  O1   C1    double    1.202  0.020  1.202
 D7G  C1   C2    single    1.536  0.020  1.536
 D7G  C1   C6    single    1.517  0.020  1.517
 D7G  C2   O2    double    1.219  0.020  1.219
 D7G  C2   N1    single    1.332  0.020  1.332
 D7G  N1   C3    single    1.426  0.020  1.426
 D7G  N1   HN1   single    0.860  0.020  1.020
 D7G  C3   C4    single    1.492  0.020  1.492
 D7G  C3   C5    single    1.496  0.020  1.496
 D7G  C3   H3    single    0.970  0.020  1.090
 D7G  C4   C5    single    1.498  0.020  1.498
 D7G  C4   H41   single    0.970  0.020  1.090
 D7G  C4   H42   single    0.970  0.020  1.090
 D7G  C5   H51   single    0.970  0.020  1.090
 D7G  C5   H52   single    0.970  0.020  1.090
 D7G  C6   N2    single    1.437  0.020  1.437
 D7G  C6   C19   single    1.540  0.020  1.540
 D7G  C6   H6    single    0.970  0.020  1.090
 D7G  N2   C7    single    1.341  0.020  1.341
 D7G  N2   HN2   single    0.860  0.020  1.020
 D7G  C7   O3    double    1.221  0.020  1.221
 D7G  C7   C8    single    1.524  0.020  1.524
 D7G  C8   N3    single    1.444  0.020  1.444
 D7G  C8   C15   single    1.531  0.020  1.531
 D7G  C8   H8    single    0.970  0.020  1.090
 D7G  N3   C9    single    1.347  0.020  1.347
 D7G  N3   HN3   single    0.860  0.020  1.020
 D7G  C9   O4    double    1.214  0.020  1.214
 D7G  C9   O5    single    1.335  0.020  1.335
 D7G  O5   C10   single    1.427  0.020  1.427
 D7G  C10  C11   single    1.505  0.020  1.505
 D7G  C10  H101  single    0.970  0.020  1.090
 D7G  C10  H102  single    0.970  0.020  1.090
 D7G  C11  O6    single    1.403  0.020  1.403
 D7G  C11  H111  single    0.970  0.020  1.090
 D7G  C11  H112  single    0.970  0.020  1.090
 D7G  O6   C12   single    1.406  0.020  1.406
 D7G  C12  C13   single    1.507  0.020  1.507
 D7G  C12  H121  single    0.970  0.020  1.090
 D7G  C12  H122  single    0.970  0.020  1.090
 D7G  C13  O7    single    1.404  0.020  1.404
 D7G  C13  H131  single    0.970  0.020  1.090
 D7G  C13  H132  single    0.970  0.020  1.090
 D7G  O7   C14   single    1.404  0.020  1.404
 D7G  C14  H141  single    0.970  0.020  1.090
 D7G  C14  H142  single    0.970  0.020  1.090
 D7G  C14  H143  single    0.970  0.020  1.090
 D7G  C15  C16   single    1.529  0.020  1.529
 D7G  C15  H151  single    0.970  0.020  1.090
 D7G  C15  H152  single    0.970  0.020  1.090
 D7G  C16  C17   single    1.527  0.020  1.527
 D7G  C16  C18   single    1.526  0.020  1.526
 D7G  C16  H16   single    0.970  0.020  1.090
 D7G  C17  H171  single    0.970  0.020  1.090
 D7G  C17  H172  single    0.970  0.020  1.090
 D7G  C17  H173  single    0.970  0.020  1.090
 D7G  C18  H181  single    0.970  0.020  1.090
 D7G  C18  H182  single    0.970  0.020  1.090
 D7G  C18  H183  single    0.970  0.020  1.090
 D7G  C19  C20   single    1.504  0.020  1.504
 D7G  C19  H191  single    0.970  0.020  1.090
 D7G  C19  H192  single    0.970  0.020  1.090
 D7G  C20  C21   aromatic  1.391  0.020  1.391
 D7G  C20  C25   aromatic  1.394  0.020  1.394
 D7G  C21  C22   aromatic  1.390  0.020  1.390
 D7G  C21  H21   single    0.930  0.020  1.080
 D7G  C22  C23   aromatic  1.387  0.020  1.387
 D7G  C22  H22   single    0.930  0.020  1.080
 D7G  C23  C24   aromatic  1.390  0.020  1.390
 D7G  C23  H23   single    0.930  0.020  1.080
 D7G  C24  C25   aromatic  1.387  0.020  1.387
 D7G  C24  H24   single    0.930  0.020  1.080
 D7G  C25  H25   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
 D7G  C6    C1   C2    115.73  3.000
 D7G  C6    C1   O1    123.37  3.000
 D7G  C2    C1   O1    120.88  3.000
 D7G  N1    C2   O2    125.49  3.000
 D7G  N1    C2   C1    113.99  3.000
 D7G  O2    C2   C1    120.52  3.000
 D7G  HN1   N1   C3    119.09  3.000
 D7G  HN1   N1   C2    118.57  3.000
 D7G  C3    N1   C2    122.27  3.000
 D7G  H3    C3   C5    117.09  3.000
 D7G  H3    C3   C4    117.37  3.000
 D7G  C5    C3   C4     60.17  3.000
 D7G  H3    C3   N1    114.63  3.000
 D7G  C5    C3   N1    119.16  3.000
 D7G  C4    C3   N1    117.80  3.000
 D7G  H42   C4   H41   114.48  3.000
 D7G  H42   C4   C5    117.76  3.000
 D7G  H41   C4   C5    118.85  3.000
 D7G  H42   C4   C3    117.65  3.000
 D7G  H41   C4   C3    117.48  3.000
 D7G  C5    C4   C3     60.05  3.000
 D7G  H52   C5   H51   114.75  3.000
 D7G  H52   C5   C4    118.73  3.000
 D7G  H51   C5   C4    117.72  3.000
 D7G  H52   C5   C3    117.40  3.000
 D7G  H51   C5   C3    117.59  3.000
 D7G  C4    C5   C3     59.78  3.000
 D7G  H6    C6   C19   108.37  3.000
 D7G  H6    C6   N2    109.38  3.000
 D7G  C19   C6   N2    110.17  3.000
 D7G  H6    C6   C1    108.55  3.000
 D7G  C19   C6   C1    109.22  3.000
 D7G  N2    C6   C1    111.09  3.000
 D7G  HN2   N2   C7    119.65  3.000
 D7G  HN2   N2   C6    118.79  3.000
 D7G  C7    N2   C6    121.56  3.000
 D7G  C8    C7   O3    121.34  3.000
 D7G  C8    C7   N2    116.12  3.000
 D7G  O3    C7   N2    122.53  3.000
 D7G  H8    C8   C15   109.60  3.000
 D7G  H8    C8   N3    107.39  3.000
 D7G  C15   C8   N3    111.51  3.000
 D7G  H8    C8   C7    110.15  3.000
 D7G  C15   C8   C7    110.89  3.000
 D7G  N3    C8   C7    107.21  3.000
 D7G  HN3   N3   C9    118.92  3.000
 D7G  HN3   N3   C8    117.65  3.000
 D7G  C9    N3   C8    122.74  3.000
 D7G  O5    C9   O4    124.03  3.000
 D7G  O5    C9   N3    110.62  3.000
 D7G  O4    C9   N3    125.35  3.000
 D7G  C10   O5   C9    117.13  3.000
 D7G  H102  C10  H101  108.12  3.000
 D7G  H102  C10  C11   110.52  3.000
 D7G  H101  C10  C11   108.71  3.000
 D7G  H102  C10  O5    110.45  3.000
 D7G  H101  C10  O5    110.86  3.000
 D7G  C11   C10  O5    108.18  3.000
 D7G  H112  C11  H111  106.75  3.000
 D7G  H112  C11  O6    111.39  3.000
 D7G  H111  C11  O6    111.24  3.000
 D7G  H112  C11  C10   107.26  3.000
 D7G  H111  C11  C10   110.27  3.000
 D7G  O6    C11  C10   109.82  3.000
 D7G  C12   O6   C11   112.69  3.000
 D7G  H122  C12  H121  106.84  3.000
 D7G  H122  C12  C13   110.10  3.000
 D7G  H121  C12  C13   108.12  3.000
 D7G  H122  C12  O6    110.95  3.000
 D7G  H121  C12  O6    111.05  3.000
 D7G  C13   C12  O6    109.69  3.000
 D7G  H132  C13  H131  106.69  3.000
 D7G  H132  C13  O7    111.15  3.000
 D7G  H131  C13  O7    111.10  3.000
 D7G  H132  C13  C12   108.11  3.000
 D7G  H131  C13  C12   109.88  3.000
 D7G  O7    C13  C12   109.83  3.000
 D7G  C14   O7   C13   112.43  3.000
 D7G  H143  C14  H142  108.30  3.000
 D7G  H143  C14  H141  108.38  3.000
 D7G  H142  C14  H141  107.73  3.000
 D7G  H143  C14  O7    108.11  3.000
 D7G  H142  C14  O7    112.11  3.000
 D7G  H141  C14  O7    112.08  3.000
 D7G  H152  C15  H151  106.51  3.000
 D7G  H152  C15  C16   109.53  3.000
 D7G  H151  C15  C16   109.28  3.000
 D7G  H152  C15  C8    108.40  3.000
 D7G  H151  C15  C8    107.18  3.000
 D7G  C16   C15  C8    115.55  3.000
 D7G  H16   C16  C18   107.65  3.000
 D7G  H16   C16  C17   107.95  3.000
 D7G  C18   C16  C17   110.53  3.000
 D7G  H16   C16  C15   108.76  3.000
 D7G  C18   C16  C15   109.39  3.000
 D7G  C17   C16  C15   112.43  3.000
 D7G  H173  C17  H172  106.85  3.000
 D7G  H173  C17  H171  107.31  3.000
 D7G  H172  C17  H171  107.76  3.000
 D7G  H173  C17  C16   112.68  3.000
 D7G  H172  C17  C16   110.76  3.000
 D7G  H171  C17  C16   111.23  3.000
 D7G  H183  C18  H182  107.74  3.000
 D7G  H183  C18  H181  107.68  3.000
 D7G  H182  C18  H181  107.73  3.000
 D7G  H183  C18  C16   110.97  3.000
 D7G  H182  C18  C16   111.20  3.000
 D7G  H181  C18  C16   111.34  3.000
 D7G  H192  C19  H191  106.86  3.000
 D7G  H192  C19  C20   110.17  3.000
 D7G  H191  C19  C20   110.23  3.000
 D7G  H192  C19  C6    108.46  3.000
 D7G  H191  C19  C6    109.51  3.000
 D7G  C20   C19  C6    111.48  3.000
 D7G  C25   C20  C21   118.80  3.000
 D7G  C25   C20  C19   120.33  3.000
 D7G  C21   C20  C19   120.86  3.000
 D7G  H21   C21  C22   119.55  3.000
 D7G  H21   C21  C20   119.72  3.000
 D7G  C22   C21  C20   120.73  3.000
 D7G  H22   C22  C23   120.17  3.000
 D7G  H22   C22  C21   119.80  3.000
 D7G  C23   C22  C21   120.03  3.000
 D7G  H23   C23  C24   120.14  3.000
 D7G  H23   C23  C22   120.20  3.000
 D7G  C24   C23  C22   119.65  3.000
 D7G  H24   C24  C25   119.80  3.000
 D7G  H24   C24  C23   120.05  3.000
 D7G  C25   C24  C23   120.15  3.000
 D7G  H25   C25  C24   119.72  3.000
 D7G  H25   C25  C20   119.64  3.000
 D7G  C24   C25  C20   120.64  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
 D7G  CONST_01  C23   C22  C21  C20     0.00   0.0  0
 D7G  CONST_02  C23   C24  C25  C20     0.00   0.0  0
 D7G  CONST_03  C24   C25  C20  C21     0.00   0.0  0
 D7G  CONST_04  C24   C23  C22  C21     0.00   0.0  0
 D7G  CONST_05  C25   C20  C21  C22     0.00   0.0  0
 D7G  CONST_06  C25   C24  C23  C22     0.00   0.0  0
 D7G  CONST_07  C22   C21  C20  C19   180.00   0.0  0
 D7G  CONST_08  C24   C25  C20  C19   180.00   0.0  0
 D7G  CONST_09  H22   C22  C21  C20   180.00   0.0  0
 D7G  CONST_10  H24   C24  C25  C20   180.00   0.0  0
 D7G  CONST_11  H25   C25  C20  C21   180.00   0.0  0
 D7G  CONST_12  H23   C23  C22  C21   180.00   0.0  0
 D7G  CONST_13  H21   C21  C22  C23   180.00   0.0  0
 D7G  CONST_14  C3    N1   C2   C1    180.00   0.0  0
 D7G  CONST_15  C3    N1   C2   O2      0.00   0.0  0
 D7G  CONST_16  O3    C7   N2   C6      0.00   0.0  0
 D7G  CONST_17  C8    C7   N2   C6    180.00   0.0  0
 D7G  CONST_18  HN1   N1   C2   C1      0.00   0.0  0
 D7G  CONST_19  HN2   N2   C7   O3    180.00   0.0  0
 D7G  Var_01    C5    C4   C3   N1    109.43  30.0  1
 D7G  Var_02    H51   C5   C4   C3   -107.42  30.0  1
 D7G  Var_03    C4    C3   N1   C2   -143.94  30.0  3
 D7G  Var_04    C21   C20  C19  C6    104.44  30.0  2
 D7G  Var_05    O2    C2   C1   O1    178.28  30.0  2
 D7G  Var_06    O4    C9   N3   C8      4.11  30.0  2
 D7G  Var_07    C17   C16  C15  C8     58.92  30.0  3
 D7G  Var_08    C11   C10  O5   C9    177.29  30.0  3
 D7G  Var_09    O6    C11  C10  O5     64.00  30.0  3
 D7G  Var_10    C13   C12  O6   C11   178.02  30.0  3
 D7G  Var_11    O7    C13  C12  O6     65.14  30.0  3
 D7G  Var_12    H141  C14  O7   C13   -60.33  30.0  3
 D7G  Var_13    H171  C17  C16  C15    57.29  30.0  3
 D7G  Var_14    H181  C18  C16  C15    58.24  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
 D7G  chir_02  C6  C1  N2  C19  negativ
 D7G  chir_03  C8  N3  C7  C15  positiv
 D7G  chir_04  C3  N1  C4  C5   both

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
 D7G  plan-1  N3   0.020
 D7G  plan-1  C9   0.020
 D7G  plan-1  O4   0.020
 D7G  plan-1  O5   0.020
 D7G  plan-2  C19  0.020
 D7G  plan-2  C20  0.020
 D7G  plan-2  C21  0.020
 D7G  plan-2  C22  0.020
 D7G  plan-2  C23  0.020
 D7G  plan-2  C24  0.020
 D7G  plan-2  C25  0.020
 D7G  plan-2  H21  0.020
 D7G  plan-2  H22  0.020
 D7G  plan-2  H23  0.020
 D7G  plan-2  H24  0.020
 D7G  plan-2  H25  0.020
 D7G  plan-3  C6   0.020
 D7G  plan-3  N2   0.020
 D7G  plan-3  C7   0.020
 D7G  plan-3  O3   0.020
 D7G  plan-3  C8   0.020
 D7G  plan-3  HN2  0.020
 D7G  plan-4  O1   0.020
 D7G  plan-4  C1   0.020
 D7G  plan-4  C2   0.020
 D7G  plan-4  C6   0.020
 D7G  plan-5  C1   0.020
 D7G  plan-5  C2   0.020
 D7G  plan-5  O2   0.020
 D7G  plan-5  N1   0.020
 D7G  plan-5  C3   0.020
 D7G  plan-5  HN1  0.020

