# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Mar 11 11:51:29 2022
#   Inital geometry file: a 168 line input string
#   Ligand name: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3'-O-[2-(methylamino)benzoyl]guanosine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CNc1ccccc1C(=O)O[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)n3cnc4C(=O)NC(=Nc34)N
#
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
 GGM  GGM  5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3'-O-[2-(methylamino)benzoyl]guanosine  ligand  62  42  .  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_GGM
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
 GGM  N1    N  NR16   0  -0.731  -1.6012   4.7667   0.9971
 GGM  C2    C  CR6    0   0.716  -2.5542   3.8408   0.6957
 GGM  N2    N  NH2    0  -0.833  -3.7651   4.2965   0.3468
 GGM  N3    N  N      0  -0.585  -2.3337   2.5499   0.7690
 GGM  C4    C  CR56   0   0.553  -1.0832   2.2446   1.1673
 GGM  C5    C  CR56   0  -0.067  -0.0511   3.1032   1.4857
 GGM  C6    C  CR6    0   0.504  -0.2829   4.5054   1.4096
 GGM  O6    O  O      0  -0.469   0.4776   5.4271   1.6487
 GGM  N7    N  N      0  -0.475   1.0715   2.3936   1.8214
 GGM  C8    C  CR15   0   0.125   0.7251   1.1470   1.6999
 GGM  N9    N  NR5    0  -0.538  -0.5824   0.9974   1.3259
 GGM  CA    C  C      0   0.650  -4.0008  -2.7721  -0.5080
 GGM  OA    O  O      0  -0.475  -4.1147  -2.6196  -1.7075
 GGM  PA    P  P      0   1.356   3.2579  -1.4097  -0.7077
 GGM  PG    P  P      0   1.185   4.5090   3.6412  -0.9232
 GGM  C1'   C  CH1    0   0.220  -1.3466  -0.2286   1.1500
 GGM  O1A   O  O      0  -0.818   3.2609  -1.8316  -2.1458
 GGM  O1B   O  OP    -1  -0.797   0.9986   1.2639  -1.4767
 GGM  O1G   O  O      0  -0.923   4.3498   4.5097  -2.1734
 GGM  C2'   C  CH1    0  -0.041  -1.9590  -0.3347  -0.2644
 GGM  O2'   O  OH1    0  -0.674  -3.2789   0.0972  -0.3412
 GGM  O2A   O  OP    -1  -0.812   4.3356  -1.8601   0.2329
 GGM  O2B   O  O      0  -0.826   3.1709   1.3087  -2.8873
 GGM  O2G   O  OP    -1  -0.922   4.5592   4.4488   0.3782
 GGM  C3'   C  CH1    0  -0.053  -1.8193  -1.8307  -0.5374
 GGM  O3'   O  O2     0  -0.480  -2.8604  -2.5258   0.1360
 GGM  O3A   O  O2     0  -0.758   3.1340   0.1937  -0.5496
 GGM  N3B   N  NH1    0  -0.991   2.9852   2.7696  -0.7411
 GGM  O3G   O  OP    -1  -0.913   5.6153   2.5946  -1.0446
 GGM  C4'   C  CH1    0  -0.060  -0.5090  -2.1498   0.1634
 GGM  O4'   O  O2     0  -0.488  -0.5115  -1.3240   1.3295
 GGM  C5'   C  CH2    0  -0.175   0.6684  -1.8570  -0.7486
 GGM  O5'   O  O2     0  -0.631   1.8608  -1.9592  -0.0081
 GGM  CA1   C  CR6    0  -0.204  -5.0559  -3.2739   0.3814
 GGM  CA2   C  CR6    0   0.395  -6.2885  -3.7529  -0.1506
 GGM  CA3   C  CR16   0  -0.360  -7.2551  -4.2221   0.7668
 GGM  CA4   C  CR16   0  -0.233  -7.0231  -4.2074   2.1236
 GGM  CA5   C  CR16   0  -0.285  -5.8208  -3.7296   2.6445
 GGM  CA6   C  CR16   0  -0.275  -4.8595  -3.2738   1.7690
 GGM  CAM   C  CH3    0  -0.533  -7.7662  -4.2812  -2.0483
 GGM  HN1   H  HNR6   0   0.425  -1.8477   5.7457   0.9225
 GGM  HN2   H  HNH2   0   0.416  -3.8967   5.2556   0.0753
 GGM  HN2A  H  HNH2   0   0.414  -4.4282   3.6349  -0.0194
 GGM  H8    H  HCR5   0   0.283   1.3716   0.2984   1.8477
 GGM  H1'   H  HCH1   0   0.259  -2.1410  -0.2337   1.9065
 GGM  H2'   H  HCH1   0   0.267  -1.3051   0.2045  -0.9624
 GGM  HO2'  H  HOH1   0   0.461  -3.2693   1.0297  -0.0584
 GGM  H3'   H  HCH1   0   0.289  -1.7987  -2.0742  -1.6009
 GGM  HN3B  H  HNH1   0   0.375   2.5215   2.9299   0.1439
 GGM  H4'   H  HCH1   0   0.264  -0.4720  -3.1883   0.5026
 GGM  H5'   H  HCH2   0   0.205   0.6419  -2.5905  -1.5639
 GGM  H5'A  H  HCH2   0   0.246   0.5668  -0.8619  -1.1903
 GGM  HNA1  H  HNH1   0   0.406  -5.8428  -3.4068  -2.0868
 GGM  HA3   H  HCR6   0   0.273  -8.2010  -4.5973   0.4024
 GGM  HA4   H  HCR6   0   0.260  -7.7952  -4.5719   2.7899
 GGM  HA5   H  HCR6   0   0.251  -5.6446  -3.7138   3.7110
 GGM  HA6   H  HCR6   0   0.262  -3.9284  -2.8982   2.1686
 GGM  HAM   H  HCH3   0   0.232  -7.9364  -5.3331  -1.8047
 GGM  HAMA  H  HCH3   0   0.231  -8.6458  -3.7154  -1.7289
 GGM  HAMB  H  HCH3   0   0.261  -7.6911  -4.1963  -3.1289
 GGM  NA1   N  NH1    0  -0.688  -6.5482  -3.7780  -1.4729
 GGM  PB    P  P      0   1.329   2.5046   1.4005  -1.5458

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
 GGM  N1   C2    single    1.362  0.020  1.362
 GGM  N1   C6    single    1.406  0.020  1.406
 GGM  C2   N2    single    1.340  0.020  1.340
 GGM  C2   N3    double    1.312  0.020  1.312
 GGM  N3   C4    single    1.347  0.020  1.347
 GGM  C4   C5    aromatic  1.380  0.020  1.380
 GGM  C4   N9    aromatic  1.353  0.020  1.353
 GGM  C5   C6    single    1.423  0.020  1.423
 GGM  C5   N7    aromatic  1.370  0.020  1.370
 GGM  C6   O6    double    1.219  0.020  1.219
 GGM  N7   C8    aromatic  1.300  0.020  1.300
 GGM  C8   N9    aromatic  1.368  0.020  1.368
 GGM  N9   C1'   single    1.455  0.020  1.455
 GGM  CA   OA    double    1.214  0.020  1.214
 GGM  CA   O3'   single    1.333  0.020  1.333
 GGM  CA   CA1   single    1.468  0.020  1.468
 GGM  PA   O1A   deloc     1.499  0.020  1.499
 GGM  PA   O2A   deloc     1.500  0.020  1.500
 GGM  PA   O3A   single    1.616  0.020  1.616
 GGM  PA   O5'   single    1.656  0.020  1.656
 GGM  PB   O1B   deloc     1.514  0.020  1.514
 GGM  PB   O2B   deloc     1.501  0.020  1.501
 GGM  PB   O3A   single    1.687  0.020  1.687
 GGM  PB   N3B   single    1.659  0.020  1.659
 GGM  PG   O1G   deloc     1.531  0.020  1.531
 GGM  PG   O2G   deloc     1.532  0.020  1.532
 GGM  PG   N3B   single    1.765  0.020  1.765
 GGM  PG   O3G   deloc     1.528  0.020  1.528
 GGM  C1'  C2'   single    1.545  0.020  1.545
 GGM  C1'  O4'   single    1.389  0.020  1.389
 GGM  C2'  O2'   single    1.391  0.020  1.391
 GGM  C2'  C3'   single    1.527  0.020  1.527
 GGM  C3'  O3'   single    1.421  0.020  1.421
 GGM  C3'  C4'   single    1.520  0.020  1.520
 GGM  C4'  O4'   single    1.429  0.020  1.429
 GGM  C4'  C5'   single    1.518  0.020  1.518
 GGM  C5'  O5'   single    1.407  0.020  1.407
 GGM  CA1  CA2   aromatic  1.425  0.020  1.425
 GGM  CA1  CA6   aromatic  1.401  0.020  1.401
 GGM  NA1  CA2   single    1.348  0.020  1.348
 GGM  NA1  CAM   single    1.438  0.020  1.438
 GGM  CA2  CA3   aromatic  1.413  0.020  1.413
 GGM  CA3  CA4   aromatic  1.377  0.020  1.377
 GGM  CA4  CA5   aromatic  1.395  0.020  1.395
 GGM  CA5  CA6   aromatic  1.378  0.020  1.378
 GGM  N1   HN1   single    0.860  0.020  1.020
 GGM  N2   HN2   single    0.890  0.020  1.040
 GGM  N2   HN2A  single    0.890  0.020  1.040
 GGM  C8   H8    single    0.930  0.020  1.080
 GGM  C1'  H1'   single    0.970  0.020  1.090
 GGM  C2'  H2'   single    0.970  0.020  1.090
 GGM  O2'  HO2'  single    0.850  0.020  0.980
 GGM  C3'  H3'   single    0.970  0.020  1.090
 GGM  N3B  HN3B  single    0.890  0.020  1.040
 GGM  C4'  H4'   single    0.970  0.020  1.090
 GGM  C5'  H5'   single    0.970  0.020  1.090
 GGM  C5'  H5'A  single    0.970  0.020  1.090
 GGM  NA1  HNA1  single    0.860  0.020  1.020
 GGM  CA3  HA3   single    0.930  0.020  1.080
 GGM  CA4  HA4   single    0.930  0.020  1.080
 GGM  CA5  HA5   single    0.930  0.020  1.080
 GGM  CA6  HA6   single    0.930  0.020  1.080
 GGM  CAM  HAM   single    0.970  0.020  1.090
 GGM  CAM  HAMA  single    0.970  0.020  1.090
 GGM  CAM  HAMB  single    0.970  0.020  1.090

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
 GGM  HN1   N1   C6    115.45  3.000
 GGM  HN1   N1   C2    118.07  3.000
 GGM  C6    N1   C2    126.48  3.000
 GGM  N3    C2   N2    120.07  3.000
 GGM  N3    C2   N1    122.61  3.000
 GGM  N2    C2   N1    117.30  3.000
 GGM  HN2A  N2   HN2   116.29  3.000
 GGM  HN2A  N2   C2    117.83  3.000
 GGM  HN2   N2   C2    120.86  3.000
 GGM  C4    N3   C2    113.30  3.000
 GGM  N9    C4   C5    105.65  3.000
 GGM  N9    C4   N3    125.94  3.000
 GGM  C5    C4   N3    128.42  3.000
 GGM  N7    C5   C6    131.06  3.000
 GGM  N7    C5   C4    110.31  3.000
 GGM  C6    C5   C4    118.62  3.000
 GGM  O6    C6   C5    129.28  3.000
 GGM  O6    C6   N1    120.15  3.000
 GGM  C5    C6   N1    110.58  3.000
 GGM  C8    N7   C5    104.81  3.000
 GGM  H8    C8   N9    121.66  3.000
 GGM  H8    C8   N7    125.67  3.000
 GGM  N9    C8   N7    112.66  3.000
 GGM  C1'   N9   C8    128.83  3.000
 GGM  C1'   N9   C4    124.60  3.000
 GGM  C8    N9   C4    106.55  3.000
 GGM  CA1   CA   O3'   112.67  3.000
 GGM  CA1   CA   OA    125.01  3.000
 GGM  O3'   CA   OA    122.30  3.000
 GGM  O5'   PA   O3A   102.90  3.000
 GGM  O5'   PA   O2A   103.98  3.000
 GGM  O3A   PA   O2A   106.96  3.000
 GGM  O5'   PA   O1A   108.28  3.000
 GGM  O3A   PA   O1A   111.92  3.000
 GGM  O2A   PA   O1A   121.05  3.000
 GGM  O3G   PG   N3B   107.16  3.000
 GGM  O3G   PG   O2G   113.88  3.000
 GGM  N3B   PG   O2G   101.59  3.000
 GGM  O3G   PG   O1G   113.52  3.000
 GGM  N3B   PG   O1G   105.95  3.000
 GGM  O2G   PG   O1G   113.46  3.000
 GGM  H1'   C1'  O4'   110.04  3.000
 GGM  H1'   C1'  C2'   110.12  3.000
 GGM  O4'   C1'  C2'   107.61  3.000
 GGM  H1'   C1'  N9    107.50  3.000
 GGM  O4'   C1'  N9    109.45  3.000
 GGM  C2'   C1'  N9    112.13  3.000
 GGM  H2'   C2'  C3'   108.24  3.000
 GGM  H2'   C2'  O2'   112.18  3.000
 GGM  C3'   C2'  O2'   112.40  3.000
 GGM  H2'   C2'  C1'   108.19  3.000
 GGM  C3'   C2'  C1'   101.23  3.000
 GGM  O2'   C2'  C1'   113.92  3.000
 GGM  HO2'  O2'  C2'   105.77  3.000
 GGM  H3'   C3'  C4'   112.72  3.000
 GGM  H3'   C3'  O3'   111.50  3.000
 GGM  C4'   C3'  O3'   108.08  3.000
 GGM  H3'   C3'  C2'   113.24  3.000
 GGM  C4'   C3'  C2'   101.66  3.000
 GGM  O3'   C3'  C2'   109.11  3.000
 GGM  C3'   O3'  CA    119.22  3.000
 GGM  PB    O3A  PA    132.90  3.000
 GGM  HN3B  N3B  PG    114.06  3.000
 GGM  HN3B  N3B  PB    114.97  3.000
 GGM  PG    N3B  PB    127.41  3.000
 GGM  H4'   C4'  C5'   110.09  3.000
 GGM  H4'   C4'  O4'   107.21  3.000
 GGM  C5'   C4'  O4'   112.35  3.000
 GGM  H4'   C4'  C3'   111.82  3.000
 GGM  C5'   C4'  C3'   110.56  3.000
 GGM  O4'   C4'  C3'   104.68  3.000
 GGM  C4'   O4'  C1'   110.56  3.000
 GGM  H5'A  C5'  H5'   107.82  3.000
 GGM  H5'A  C5'  O5'   110.94  3.000
 GGM  H5'   C5'  O5'   111.28  3.000
 GGM  H5'A  C5'  C4'   110.26  3.000
 GGM  H5'   C5'  C4'   107.39  3.000
 GGM  O5'   C5'  C4'   109.09  3.000
 GGM  C5'   O5'  PA    117.93  3.000
 GGM  CA6   CA1  CA2   119.39  3.000
 GGM  CA6   CA1  CA    119.94  3.000
 GGM  CA2   CA1  CA    120.67  3.000
 GGM  CA3   CA2  NA1   119.93  3.000
 GGM  CA3   CA2  CA1   117.44  3.000
 GGM  NA1   CA2  CA1   122.62  3.000
 GGM  HA3   CA3  CA4   118.91  3.000
 GGM  HA3   CA3  CA2   119.68  3.000
 GGM  CA4   CA3  CA2   121.41  3.000
 GGM  HA4   CA4  CA5   120.00  3.000
 GGM  HA4   CA4  CA3   118.86  3.000
 GGM  CA5   CA4  CA3   121.14  3.000
 GGM  HA5   CA5  CA6   120.55  3.000
 GGM  HA5   CA5  CA4   120.93  3.000
 GGM  CA6   CA5  CA4   118.51  3.000
 GGM  HA6   CA6  CA5   118.76  3.000
 GGM  HA6   CA6  CA1   119.13  3.000
 GGM  CA5   CA6  CA1   122.10  3.000
 GGM  HAMB  CAM  HAMA  107.80  3.000
 GGM  HAMB  CAM  HAM   107.91  3.000
 GGM  HAMA  CAM  HAM   107.91  3.000
 GGM  HAMB  CAM  NA1   108.19  3.000
 GGM  HAMA  CAM  NA1   112.55  3.000
 GGM  HAM   CAM  NA1   112.30  3.000
 GGM  HNA1  NA1  CAM   118.61  3.000
 GGM  HNA1  NA1  CA2   117.17  3.000
 GGM  CAM   NA1  CA2   124.22  3.000
 GGM  N3B   PB   O3A   101.29  3.000
 GGM  N3B   PB   O2B   110.82  3.000
 GGM  O3A   PB   O2B   108.58  3.000
 GGM  N3B   PB   O1B   109.90  3.000
 GGM  O3A   PB   O1B   106.25  3.000
 GGM  O2B   PB   O1B   118.49  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
 GGM  CONST_01  C8    N7   C5   C4      0.00   0.0  0
 GGM  CONST_02  N7    C8   N9   C4      0.00   0.0  0
 GGM  CONST_03  C8    N9   C4   C5      0.00   0.0  0
 GGM  CONST_04  N9    C8   N7   C5      0.00   0.0  0
 GGM  CONST_05  N9    C4   C5   N7      0.00   0.0  0
 GGM  CONST_06  CA4   CA3  CA2  CA1     0.00   0.0  0
 GGM  CONST_07  CA4   CA5  CA6  CA1     0.00   0.0  0
 GGM  CONST_08  CA5   CA6  CA1  CA2     0.00   0.0  0
 GGM  CONST_09  CA5   CA4  CA3  CA2     0.00   0.0  0
 GGM  CONST_10  CA6   CA1  CA2  CA3     0.00   0.0  0
 GGM  CONST_11  CA6   CA5  CA4  CA3     0.00   0.0  0
 GGM  CONST_12  C1'   N9   C4   N3      0.00   0.0  0
 GGM  CONST_13  C1'   N9   C4   C5    180.00   0.0  0
 GGM  CONST_14  C1'   N9   C8   N7    180.00   0.0  0
 GGM  CONST_15  C4    N3   C2   N1      0.00   0.0  0
 GGM  CONST_16  C5    C6   N1   C2      0.00   0.0  0
 GGM  CONST_17  C6    N1   C2   N3      0.00   0.0  0
 GGM  CONST_18  CA3   CA2  CA1  CA    180.00   0.0  0
 GGM  CONST_19  CA5   CA6  CA1  CA    180.00   0.0  0
 GGM  CONST_20  CA6   CA1  CA2  NA1   180.00   0.0  0
 GGM  CONST_21  CA4   CA3  CA2  NA1   180.00   0.0  0
 GGM  CONST_22  O6    C6   N1   C2    180.00   0.0  0
 GGM  CONST_23  C6    N1   C2   N2    180.00   0.0  0
 GGM  CONST_24  C4    N3   C2   N2    180.00   0.0  0
 GGM  CONST_25  H8    C8   N9   C4    180.00   0.0  0
 GGM  CONST_26  HA3   CA3  CA2  CA1   180.00   0.0  0
 GGM  CONST_27  HA5   CA5  CA6  CA1   180.00   0.0  0
 GGM  CONST_28  HA6   CA6  CA1  CA2   180.00   0.0  0
 GGM  CONST_29  HA4   CA4  CA3  CA2   180.00   0.0  0
 GGM  CONST_30  HN1   N1   C2   N3    180.00   0.0  0
 GGM  CONST_31  CAM   NA1  CA2  CA1   180.00   0.0  0
 GGM  CONST_32  CAM   NA1  CA2  CA3     0.00   0.0  0
 GGM  CONST_33  HNA1  NA1  CA2  CA1     0.00   0.0  0
 GGM  CONST_35  HN2A  N2   C2   N1    180.00   0.0  0
 GGM  Var_01    CA2   CA1  CA   OA      6.28  30.0  2
 GGM  Var_02    CA1   CA   O3'  C3'  -169.65  30.0  1
 GGM  Var_03    C4'   C5'  O5'  PA   -168.76  30.0  2
 GGM  Var_04    HAM   CAM  NA1  CA2   -59.87  30.0  3
 GGM  Var_05    O1B   PB   O3A  PA     73.55  30.0  2
 GGM  Var_06    O1A   PA   O3A  PB     24.42  30.0  2
 GGM  Var_07    O1G   PG   N3B  PB     80.58  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
 GGM  chir_03  C1'  N9   C2'  O4'  negativ
 GGM  chir_04  C2'  O2'  C3'  C1'  positiv
 GGM  chir_05  C3'  O3'  C4'  C2'  positiv
 GGM  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
 GGM  plan-1  CA    0.020
 GGM  plan-1  CA1   0.020
 GGM  plan-1  CA2   0.020
 GGM  plan-1  CA3   0.020
 GGM  plan-1  CA4   0.020
 GGM  plan-1  CA5   0.020
 GGM  plan-1  CA6   0.020
 GGM  plan-1  HA3   0.020
 GGM  plan-1  HA4   0.020
 GGM  plan-1  HA5   0.020
 GGM  plan-1  HA6   0.020
 GGM  plan-1  NA1   0.020
 GGM  plan-2  N1    0.020
 GGM  plan-2  C2    0.020
 GGM  plan-2  N2    0.020
 GGM  plan-2  N3    0.020
 GGM  plan-2  C4    0.020
 GGM  plan-2  C5    0.020
 GGM  plan-2  C6    0.020
 GGM  plan-2  O6    0.020
 GGM  plan-2  N7    0.020
 GGM  plan-2  C8    0.020
 GGM  plan-2  N9    0.020
 GGM  plan-2  C1'   0.020
 GGM  plan-2  HN1   0.020
 GGM  plan-2  HN2   0.020
 GGM  plan-2  HN2A  0.020
 GGM  plan-2  H8    0.020
 GGM  plan-3  CA2   0.020
 GGM  plan-3  CAM   0.020
 GGM  plan-3  HNA1  0.020
 GGM  plan-3  NA1   0.020
 GGM  plan-4  CA    0.020
 GGM  plan-4  OA    0.020
 GGM  plan-4  O3'   0.020
 GGM  plan-4  CA1   0.020

