# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Mar  9 21:36:47 2022
#   Inital geometry file: a 168 line input string
#   Ligand name: (3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-3',5'-dinitro-N-oxidanyl-6-[[oxidanyl-[oxidanyl(phosphonomethyl)phosphoryl]oxy-phosphoryl]oxymethyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,4'-cyclohexa-2,5-diene]-1'-imine oxide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[C@H]4O[C]5(O[C@@H]34)C(=C[C@@](C=C5[N+]([O-])=O)=[N+](O)[O-])[N+]([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
 DL5  DL5  '(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-3',5'-dinitro-N-oxidanyl-6-[[oxidanyl-[oxidanyl(phosphonomethyl)phosphoryl]oxy-phosphoryl]oxymethyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,4'-cyclohexa-2,5-diene]-1'-imine oxide'  ligand  61  46  .  2022-03-18  2022-03-18
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_DL5
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
 DL5  N1    N  N      0  -0.475  -3.7851   5.5203  -1.6537
 DL5  C2    C  CR16   0   0.038  -4.3255   4.4510  -1.0748
 DL5  N3    N  N      0  -0.459  -3.7127   3.4086  -0.5412
 DL5  C4    C  CR56   0   0.478  -2.3878   3.5188  -0.6346
 DL5  C5    C  CR56   0  -0.000  -1.6819   4.5659  -1.2046
 DL5  C6    C  CR6    0   0.450  -2.4530   5.6141  -1.7389
 DL5  N6    N  NH2    0  -0.817  -1.9103   6.6805  -2.3308
 DL5  N7    N  N      0  -0.462  -0.3337   4.3443  -1.1161
 DL5  C8    C  CR15   0   0.068  -0.2266   3.1945  -0.5095
 DL5  N9    N  NR5    0  -0.548  -1.4403   2.6410  -0.1996
 DL5  PA    P  P      0   1.341   3.3053   0.8432  -0.3441
 DL5  PB    P  P      0   1.273   5.9153   0.7127   1.0632
 DL5  PG    P  P      0   1.159   8.1979  -1.2517   0.2698
 DL5  C01   C  CH2    0  -1.003   6.3671  -0.9569   0.5462
 DL5  C1'   C  CH1    0   0.215  -1.7381   1.4008   0.5152
 DL5  O1A   O  O      0  -0.788   2.8493   2.2716  -0.4683
 DL5  O1B   O  OP    -1  -0.823   6.3676   1.7656   0.0885
 DL5  C1F   C  CR6    0   0.340  -3.5679  -1.5053   0.2999
 DL5  O1G   O  O      0  -0.909   8.9089  -0.5302   1.4201
 DL5  C2'   C  CH1    0  -0.052  -2.4720   0.4085  -0.4033
 DL5  O2'   O  O2     0  -0.476  -3.6448  -0.1115   0.1815
 DL5  O2A   O  OP    -1  -0.805   3.8571   0.1472  -1.5520
 DL5  O2B   O  O      0  -0.821   6.1460   0.9170   2.5375
 DL5  C2F   C  CR6    0   0.290  -4.5638  -2.1820  -0.6362
 DL5  N2F   N  N      1   0.358  -4.3562  -2.0655  -2.0644
 DL5  O2F   O  O      0  -0.372  -3.5670  -1.2388  -2.4591
 DL5  O2G   O  OP    -1  -0.923   8.3382  -2.7813   0.3324
 DL5  C3'   C  CH1    0  -0.039  -1.5273  -0.7842  -0.5330
 DL5  O3'   O  O2     0  -0.489  -2.2585  -1.8803  -0.0104
 DL5  O3A   O  O2     0  -0.752   4.2188   0.6505   0.9719
 DL5  C3F   C  CR16   0  -0.325  -5.6615  -2.8496  -0.2543
 DL5  O3F   O  O     -1  -0.379  -4.9832  -2.7912  -2.8001
 DL5  O3G   O  OP    -1  -0.913   8.5141  -0.6767  -1.1143
 DL5  C4'   C  CH1    0  -0.022  -0.2897  -0.4271   0.2869
 DL5  O4'   O  O2     0  -0.488  -0.5543   0.8174   0.9299
 DL5  C4F   C  CR6    0   0.320  -5.9420  -3.0399   1.1250
 DL5  N4F   N  N      1   0.282  -7.0769  -3.6615   1.4638
 DL5  O4F   O  O      0  -0.470  -7.2636  -3.8235   2.7718
 DL5  C5'   C  CH2    0  -0.147   0.9530  -0.3232  -0.5768
 DL5  O5'   O  O2     0  -0.624   2.0455  -0.0496   0.2599
 DL5  C5F   C  CR16   0  -0.312  -4.9995  -2.6097   2.0974
 DL5  O5F   O  O     -1  -0.362  -7.9209  -4.0723   0.7052
 DL5  C6F   C  CR6    0   0.288  -3.9035  -1.9365   1.7182
 DL5  N6F   N  N      1   0.369  -2.9919  -1.5588   2.7768
 DL5  O6F   O  O      0  -0.375  -2.1997  -0.6759   2.5526
 DL5  O7F   O  O     -1  -0.383  -3.0689  -2.1363   3.8368
 DL5  H2    H  HCR6   0   0.250  -5.4097   4.4392  -1.0380
 DL5  HN6   H  HNH2   0   0.410  -0.9148   6.8161  -2.3382
 DL5  HN6A  H  HNH2   0   0.402  -2.4942   7.4381  -2.6397
 DL5  H8    H  HCR5   0   0.324   0.7160   2.7190  -0.2707
 DL5  H01   H  HCH2   0   0.199   6.0059  -1.6453   1.3169
 DL5  H01A  H  HCH2   0   0.222   5.8211  -1.1982  -0.3693
 DL5  H1'   H  HCH1   0   0.276  -2.3583   1.6705   1.3748
 DL5  H2'   H  HCH1   0   0.295  -2.7147   0.8693  -1.3609
 DL5  H3'   H  HCH1   0   0.282  -1.2610  -0.9994  -1.5691
 DL5  H3F   H  HCR6   0   0.338  -6.3355  -3.2562  -0.9949
 DL5  H4'   H  HCH1   0   0.259  -0.1164  -1.1814   1.0591
 DL5  H5'   H  HCH2   0   0.226   1.0882  -1.2780  -1.1002
 DL5  H5'A  H  HCH2   0   0.207   0.8053   0.4431  -1.3501
 DL5  H5F   H  HCR6   0   0.342  -5.1555  -2.8283   3.1434
 DL5  H4F   H  H      0   0.514  -8.1099  -4.2979   2.8676

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
 DL5  C2   N1    aromatic  1.331  0.020  1.331
 DL5  C6   N1    aromatic  1.338  0.020  1.338
 DL5  N3   C2    aromatic  1.322  0.020  1.322
 DL5  C2   H2    single    0.930  0.020  1.080
 DL5  C4   N3    aromatic  1.333  0.020  1.333
 DL5  N9   C4    aromatic  1.363  0.020  1.363
 DL5  C4   C5    aromatic  1.385  0.020  1.385
 DL5  N7   C5    aromatic  1.369  0.020  1.369
 DL5  C5   C6    aromatic  1.407  0.020  1.407
 DL5  C6   N6    single    1.335  0.020  1.335
 DL5  N6   HN6   single    0.860  0.020  1.020
 DL5  N6   HN6A  single    0.860  0.020  1.020
 DL5  C8   N7    aromatic  1.304  0.020  1.304
 DL5  N9   C8    aromatic  1.369  0.020  1.369
 DL5  C8   H8    single    0.930  0.020  1.080
 DL5  C1'  N9    single    1.462  0.020  1.462
 DL5  O1A  PA    deloc     1.505  0.020  1.505
 DL5  O2A  PA    deloc     1.499  0.020  1.499
 DL5  PA   O3A   single    1.614  0.020  1.614
 DL5  PA   O5'   single    1.658  0.020  1.658
 DL5  O3A  PB    single    1.700  0.020  1.700
 DL5  O2B  PB    deloc     1.506  0.020  1.506
 DL5  PB   O1B   deloc     1.504  0.020  1.504
 DL5  PB   C01   single    1.805  0.020  1.805
 DL5  O1G  PG    deloc     1.533  0.020  1.533
 DL5  O3G  PG    deloc     1.532  0.020  1.532
 DL5  PG   C01   single    1.875  0.020  1.875
 DL5  PG   O2G   deloc     1.537  0.020  1.537
 DL5  C01  H01   single    0.970  0.020  1.090
 DL5  C01  H01A  single    0.970  0.020  1.090
 DL5  C2'  C1'   single    1.538  0.020  1.538
 DL5  C1'  O4'   single    1.383  0.020  1.383
 DL5  C1'  H1'   single    0.970  0.020  1.090
 DL5  C2F  C1F   single    1.525  0.020  1.525
 DL5  O3'  C1F   single    1.397  0.020  1.397
 DL5  C1F  O2'   single    1.401  0.020  1.401
 DL5  C1F  C6F   single    1.520  0.020  1.520
 DL5  C3'  C2'   single    1.527  0.020  1.527
 DL5  O2'  C2'   single    1.410  0.020  1.410
 DL5  C2'  H2'   single    0.970  0.020  1.090
 DL5  N2F  C2F   single    1.448  0.020  1.448
 DL5  C3F  C2F   double    1.340  0.020  1.340
 DL5  O2F  N2F   double    1.209  0.020  1.209
 DL5  O3F  N2F   single    1.209  0.020  1.209
 DL5  O3'  C3'   single    1.418  0.020  1.418
 DL5  C3'  C4'   single    1.527  0.020  1.527
 DL5  C3'  H3'   single    0.970  0.020  1.090
 DL5  C3F  C4F   single    1.420  0.020  1.420
 DL5  C3F  H3F   single    0.930  0.020  1.080
 DL5  C5'  C4'   single    1.517  0.020  1.517
 DL5  C4'  O4'   single    1.426  0.020  1.426
 DL5  C4'  H4'   single    0.970  0.020  1.090
 DL5  N4F  C4F   double    1.338  0.020  1.338
 DL5  C4F  C5F   single    1.421  0.020  1.421
 DL5  O5F  N4F   single    1.207  0.020  1.207
 DL5  N4F  O4F   single    1.331  0.020  1.331
 DL5  O5'  C5'   single    1.403  0.020  1.403
 DL5  C5'  H5'   single    0.970  0.020  1.090
 DL5  C5'  H5'A  single    0.970  0.020  1.090
 DL5  C5F  C6F   double    1.341  0.020  1.341
 DL5  C5F  H5F   single    0.930  0.020  1.080
 DL5  C6F  N6F   single    1.447  0.020  1.447
 DL5  N6F  O7F   single    1.210  0.020  1.210
 DL5  N6F  O6F   double    1.207  0.020  1.207
 DL5  H4F  O4F   single    0.850  0.020  0.980

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
 DL5  C6    N1   C2   119.23  3.000
 DL5  H2    C2   N3   116.17  3.000
 DL5  H2    C2   N1   115.42  3.000
 DL5  N3    C2   N1   128.40  3.000
 DL5  C4    N3   C2   111.55  3.000
 DL5  N9    C4   C5   105.30  3.000
 DL5  C5    C4   N3   126.71  3.000
 DL5  N9    C4   N3   127.99  3.000
 DL5  N7    C5   C6   133.23  3.000
 DL5  C6    C5   C4   116.11  3.000
 DL5  N7    C5   C4   110.66  3.000
 DL5  N6    C6   C5   122.74  3.000
 DL5  N6    C6   N1   119.27  3.000
 DL5  C5    C6   N1   117.99  3.000
 DL5  HN6A  N6   HN6  118.14  3.000
 DL5  HN6A  N6   C6   120.14  3.000
 DL5  HN6   N6   C6   120.92  3.000
 DL5  C8    N7   C5   104.69  3.000
 DL5  H8    C8   N9   122.98  3.000
 DL5  H8    C8   N7   124.14  3.000
 DL5  N9    C8   N7   112.88  3.000
 DL5  C1'   N9   C8   129.34  3.000
 DL5  C1'   N9   C4   124.11  3.000
 DL5  C8    N9   C4   106.48  3.000
 DL5  O5'   PA   O3A   93.94  3.000
 DL5  O5'   PA   O2A  108.85  3.000
 DL5  O3A   PA   O2A  113.16  3.000
 DL5  O5'   PA   O1A  108.12  3.000
 DL5  O3A   PA   O1A  110.63  3.000
 DL5  O2A   PA   O1A  119.07  3.000
 DL5  O3A   PB   O2B  102.15  3.000
 DL5  O2B   PB   O1B  119.55  3.000
 DL5  O3A   PB   O1B  106.91  3.000
 DL5  O1B   PB   C01  112.74  3.000
 DL5  O2B   PB   C01  111.56  3.000
 DL5  O3A   PB   C01  101.57  3.000
 DL5  O3G   PG   O2G  113.04  3.000
 DL5  O2G   PG   O1G  113.30  3.000
 DL5  O3G   PG   O1G  113.93  3.000
 DL5  O2G   PG   C01  103.86  3.000
 DL5  O3G   PG   C01  106.01  3.000
 DL5  O1G   PG   C01  105.56  3.000
 DL5  H01A  C01  H01  106.62  3.000
 DL5  H01A  C01  PG   109.25  3.000
 DL5  H01   C01  PG   109.09  3.000
 DL5  H01A  C01  PB   108.61  3.000
 DL5  H01   C01  PB   107.30  3.000
 DL5  PG    C01  PB   115.60  3.000
 DL5  H1'   C1'  O4'  110.71  3.000
 DL5  H1'   C1'  C2'  110.96  3.000
 DL5  O4'   C1'  C2'  108.37  3.000
 DL5  H1'   C1'  N9   106.89  3.000
 DL5  O4'   C1'  N9   109.27  3.000
 DL5  C2'   C1'  N9   110.63  3.000
 DL5  C6F   C1F  O3'  109.76  3.000
 DL5  C6F   C1F  C2F  107.62  3.000
 DL5  O3'   C1F  C2F  110.89  3.000
 DL5  C6F   C1F  O2'  110.43  3.000
 DL5  O3'   C1F  O2'  107.44  3.000
 DL5  C2F   C1F  O2'  110.71  3.000
 DL5  H2'   C2'  C3'  113.16  3.000
 DL5  H2'   C2'  O2'  109.58  3.000
 DL5  C3'   C2'  O2'  105.18  3.000
 DL5  H2'   C2'  C1'  110.98  3.000
 DL5  O2'   C2'  C1'  112.77  3.000
 DL5  C3'   C2'  C1'  105.03  3.000
 DL5  C2'   O2'  C1F  110.88  3.000
 DL5  C3F   C2F  N2F  116.01  3.000
 DL5  C3F   C2F  C1F  125.51  3.000
 DL5  N2F   C2F  C1F  118.43  3.000
 DL5  O3F   N2F  O2F  123.39  3.000
 DL5  O3F   N2F  C2F  118.54  3.000
 DL5  O2F   N2F  C2F  118.07  3.000
 DL5  H3'   C3'  C4'  110.99  3.000
 DL5  H3'   C3'  O3'  108.88  3.000
 DL5  C4'   C3'  O3'  113.64  3.000
 DL5  H3'   C3'  C2'  112.69  3.000
 DL5  C4'   C3'  C2'  105.85  3.000
 DL5  O3'   C3'  C2'  104.69  3.000
 DL5  C3'   O3'  C1F  110.97  3.000
 DL5  PB    O3A  PA   127.18  3.000
 DL5  H3F   C3F  C4F  119.46  3.000
 DL5  H3F   C3F  C2F  120.19  3.000
 DL5  C4F   C3F  C2F  120.34  3.000
 DL5  H4'   C4'  C5'  108.64  3.000
 DL5  H4'   C4'  O4'  108.25  3.000
 DL5  C5'   C4'  O4'  110.43  3.000
 DL5  H4'   C4'  C3'  110.27  3.000
 DL5  O4'   C4'  C3'  107.21  3.000
 DL5  C5'   C4'  C3'  111.98  3.000
 DL5  C4'   O4'  C1'  113.07  3.000
 DL5  C5F   C4F  N4F  122.02  3.000
 DL5  C5F   C4F  C3F  119.54  3.000
 DL5  N4F   C4F  C3F  118.41  3.000
 DL5  O5F   N4F  O4F  118.56  3.000
 DL5  O4F   N4F  C4F  115.12  3.000
 DL5  O5F   N4F  C4F  126.32  3.000
 DL5  H4F   O4F  N4F  106.11  3.000
 DL5  H5'A  C5'  H5'  106.72  3.000
 DL5  H5'A  C5'  O5'  112.86  3.000
 DL5  H5'   C5'  O5'  110.99  3.000
 DL5  H5'A  C5'  C4'  109.78  3.000
 DL5  H5'   C5'  C4'  108.24  3.000
 DL5  O5'   C5'  C4'  108.16  3.000
 DL5  C5'   O5'  PA   118.64  3.000
 DL5  H5F   C5F  C6F  119.57  3.000
 DL5  H5F   C5F  C4F  120.38  3.000
 DL5  C6F   C5F  C4F  120.04  3.000
 DL5  N6F   C6F  C5F  116.05  3.000
 DL5  N6F   C6F  C1F  118.00  3.000
 DL5  C5F   C6F  C1F  125.93  3.000
 DL5  O7F   N6F  O6F  123.62  3.000
 DL5  O6F   N6F  C6F  117.93  3.000
 DL5  O7F   N6F  C6F  118.44  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
 DL5  CONST_01  C4    N3   C2   N1      0.00   0.0  0
 DL5  CONST_02  C4    C5   C6   N1      0.00   0.0  0
 DL5  CONST_03  N7    C5   C6   N1    180.00   0.0  0
 DL5  CONST_04  C5    C6   N1   C2      0.00   0.0  0
 DL5  CONST_05  N9    C4   N3   C2    180.00   0.0  0
 DL5  CONST_06  C5    C4   N3   C2      0.00   0.0  0
 DL5  CONST_07  C6    N1   C2   N3      0.00   0.0  0
 DL5  CONST_08  C8    N9   C4   N3    180.00   0.0  0
 DL5  CONST_09  N7    C5   C4   N3    180.00   0.0  0
 DL5  CONST_10  C6    C5   C4   N3      0.00   0.0  0
 DL5  CONST_11  N7    C8   N9   C4      0.00   0.0  0
 DL5  CONST_12  C8    N7   C5   C4      0.00   0.0  0
 DL5  CONST_13  C8    N9   C4   C5      0.00   0.0  0
 DL5  CONST_14  N9    C8   N7   C5      0.00   0.0  0
 DL5  CONST_15  N9    C4   C5   C6    180.00   0.0  0
 DL5  CONST_16  C8    N7   C5   C6    180.00   0.0  0
 DL5  CONST_17  N9    C4   C5   N7      0.00   0.0  0
 DL5  CONST_18  C1'   N9   C4   N3      0.00   0.0  0
 DL5  CONST_19  C1'   N9   C4   C5    180.00   0.0  0
 DL5  CONST_20  C1'   N9   C8   N7    180.00   0.0  0
 DL5  CONST_21  N6    C6   N1   C2    180.00   0.0  0
 DL5  CONST_22  N6    C6   C5   C4    180.00   0.0  0
 DL5  CONST_23  N7    C5   C6   N6      0.00   0.0  0
 DL5  CONST_24  H2    C2   N3   C4    180.00   0.0  0
 DL5  CONST_25  H8    C8   N9   C4    180.00   0.0  0
 DL5  CONST_26  HN6   N6   C6   N1    180.00   0.0  0
 DL5  CONST_27  HN6A  N6   C6   N1      0.00   0.0  0
 DL5  Var_01    C4F   C3F  C2F  C1F    -3.60  30.0  1
 DL5  Var_02    C4F   C5F  C6F  C1F     3.05  30.0  1
 DL5  Var_03    C2F   C1F  O2'  C2'  -111.92  30.0  1
 DL5  Var_04    C3F   C2F  C1F  O2'  -110.70  30.0  3
 DL5  Var_05    C5F   C6F  C1F  O2'   111.14  30.0  3
 DL5  Var_06    C5F   C4F  C3F  C2F    -4.88  30.0  1
 DL5  Var_07    C6F   C5F  C4F  C3F     5.15  30.0  1
 DL5  Var_08    O2F   N2F  C2F  C1F   -13.89  30.0  2
 DL5  Var_09    O7F   N6F  C6F  C1F  -163.31  30.0  2
 DL5  Var_10    O5F   N4F  C4F  C3F    -1.19  30.0  2
 DL5  Var_11    C4'   C5'  O5'  PA   -149.34  30.0  3
 DL5  Var_12    O2B   PB   O3A  PA    162.23  30.0  3
 DL5  Var_13    O1A   PA   O3A  PB    -94.55  30.0  2
 DL5  Var_14    O1G   PG   C01  PB     41.55  30.0  3
 DL5  Var_15    O3A   PB   C01  PG    171.63  30.0  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
 DL5  chir_03  C1'  N9   C2'  O4'  negativ
 DL5  chir_04  C2'  O2'  C3'  C1'  positiv
 DL5  chir_05  C3'  O3'  C2'  C4'  negativ
 DL5  chir_06  C4'  O4'  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
 DL5  plan-1  N1    0.020
 DL5  plan-1  C2    0.020
 DL5  plan-1  N3    0.020
 DL5  plan-1  C4    0.020
 DL5  plan-1  C5    0.020
 DL5  plan-1  C6    0.020
 DL5  plan-1  N6    0.020
 DL5  plan-1  N7    0.020
 DL5  plan-1  C8    0.020
 DL5  plan-1  N9    0.020
 DL5  plan-1  C1'   0.020
 DL5  plan-1  H2    0.020
 DL5  plan-1  H8    0.020
 DL5  plan-2  C6    0.020
 DL5  plan-2  N6    0.020
 DL5  plan-2  HN6   0.020
 DL5  plan-2  HN6A  0.020
 DL5  plan-3  C2F   0.020
 DL5  plan-3  N2F   0.020
 DL5  plan-3  O2F   0.020
 DL5  plan-3  O3F   0.020
 DL5  plan-4  C6F   0.020
 DL5  plan-4  N6F   0.020
 DL5  plan-4  O6F   0.020
 DL5  plan-4  O7F   0.020

