# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Sat Jun 13 17:03:22 2020
#   Inital geometry file: a 343 line input string
#   Ligand name: (1S)-2-[(3-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-1-{[(9E)-octadec-9-enoyloxy]methyl}ethyl (10E)-nonadec-10-enoate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCCCCCCC/C=C/CCCCCCCCC(=O)O[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O)COC(=O)CCCCCCC\C=C\CCCCCCCC
#
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
 GGD  GGD  '(1S)-2-[(3-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]-1-{[(9E)-octadec-9-enoyloxy]methyl}ethyl (10E)-nonadec-10-enoate'  ligand  161  67  .  2021-08-10  2021-08-10  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_GGD
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
 GGD  CA1   C  CH1   0   0.315   -6.4725   7.3798   -6.8981
 GGD  CA2   C  CH1   0   0.023   -7.5375   8.2877   -6.2968
 GGD  CA3   C  CH1   0  -0.055   -8.7092   8.3391   -7.2721
 GGD  CA4   C  CH1   0   0.019   -8.2734   8.7904   -8.6630
 GGD  CA5   C  CH1   0  -0.035   -7.1450   7.8675   -9.1082
 GGD  CA6   C  CH2   0  -0.170   -6.5473   8.2433  -10.4528
 GGD  OA1   O  O2    0  -0.488   -5.3666   7.3697   -6.0834
 GGD  OA2   O  OH1   0  -0.661   -7.9274   7.7581   -5.0584
 GGD  OA4   O  OH1   0  -0.668   -7.8204  10.1205   -8.6677
 GGD  OA5   O  O2    0  -0.505   -6.0923   7.8630   -8.1606
 GGD  OA6   O  OH1   0  -0.665   -5.6246   7.2842  -10.9117
 GGD  OB6   O  OH1   0  -0.666  -12.7156   8.7677  -10.3770
 GGD  CB1   C  CH1   0   0.304  -10.9913   8.8004   -6.7221
 GGD  CB2   C  CH1   0  -0.023  -11.6676   9.3454   -5.4633
 GGD  CB3   C  CH1   0  -0.011  -13.1551   9.0324   -5.5224
 GGD  CB4   C  CH1   0  -0.001  -13.7497   9.5008   -6.8498
 GGD  CB5   C  CH1   0  -0.026  -12.9451   8.9186   -8.0174
 GGD  CB6   C  CH2   0  -0.160  -13.4350   9.4175   -9.3582
 GGD  OB1   O  O2    0  -0.513   -9.6744   9.2060   -6.7096
 GGD  OB2   O  OH1   0  -0.654  -11.0445   8.8291   -4.3098
 GGD  OB3   O  OH1   0  -0.662  -13.7830   9.6379   -4.4252
 GGD  OB4   O  OH1   0  -0.670  -15.0915   9.0709   -6.8691
 GGD  OB5   O  O2    0  -0.484  -11.5908   9.3016   -7.8805
 GGD  CC3   C  CH2   0  -0.210   -4.5270   6.2417   -6.1958
 GGD  CC4   C  CH1   0  -0.052   -3.9067   5.9523   -4.8376
 GGD  OC6   O  O2    0  -0.463   -4.9068   5.9218   -3.8184
 GGD  CC5   C  C     0   0.608   -5.7532   4.8974   -3.7530
 GGD  OC7   O  O     0  -0.448   -5.6437   3.9008   -4.4221
 GGD  CC6   C  CH2   0  -0.175   -2.9184   7.0211   -4.4261
 GGD  OC8   O  O2    0  -0.461   -2.2480   6.5447   -3.2605
 GGD  CC7   C  C     0   0.610   -1.3235   7.3258   -2.7088
 GGD  OC9   O  O     0  -0.450   -1.0840   8.4410   -3.0980
 GGD  C14   C  CH2   0  -0.604   -6.8589   5.1722   -2.7726
 GGD  C15   C  CH2   0  -0.433   -7.7958   3.9977   -2.5511
 GGD  C16   C  CH2   0  -0.413   -8.9668   4.3731   -1.6515
 GGD  C17   C  CH2   0  -0.427   -9.9982   3.2619   -1.5089
 GGD  C18   C  CH2   0  -0.409  -11.1603   3.6490   -0.6038
 GGD  C19   C  CH2   0  -0.418  -12.2742   2.6117   -0.5517
 GGD  C20   C  CH2   0  -0.432  -13.3907   3.0097    0.4054
 GGD  C21   C  CH2   0  -0.481  -14.5849   2.0544    0.4053
 GGD  C22   C  C1    0  -0.205  -15.2958   2.0374   -0.9116
 GGD  C23   C  C1    0  -0.207  -15.6572   0.9543   -1.5927
 GGD  C24   C  CH2   0  -0.493  -16.3574   0.9767   -2.9150
 GGD  C31   C  CH2   0  -0.595   -0.6119   6.6220   -1.5870
 GGD  C32   C  CH2   0  -0.415    0.2436   7.5349   -0.7223
 GGD  C33   C  CH2   0  -0.431    1.0333   6.7396    0.3082
 GGD  C34   C  CH2   0  -0.406    1.8709   7.6039    1.2423
 GGD  C35   C  CH2   0  -0.428    2.6342   6.7630    2.2562
 GGD  C36   C  CH2   0  -0.424    3.4085   7.5688    3.2894
 GGD  C37   C  CH2   0  -0.487    4.0816   6.6798    4.3421
 GGD  C38   C  C1    0  -0.212    3.0787   5.9195    5.1534
 GGD  C39   C  C1    0  -0.202    2.9217   4.5990    5.1454
 GGD  C40   C  CH2   0  -0.486    1.8731   3.8436    5.9009
 GGD  C41   C  CH2   0  -0.424    0.9613   3.0180    4.9867
 GGD  C42   C  CH2   0  -0.427    0.1211   3.8565    4.0311
 GGD  C43   C  CH2   0  -0.405   -0.7936   3.0169    3.1466
 GGD  C44   C  CH2   0  -0.426   -1.6373   3.8498    2.1883
 GGD  C25   C  CH2   0  -0.434  -15.6688   0.1005   -3.9657
 GGD  C26   C  CH2   0  -0.420  -14.1780   0.3699   -4.1390
 GGD  C27   C  CH2   0  -0.417  -13.8236   1.8024   -4.5168
 GGD  C28   C  CH2   0  -0.415  -12.3389   1.9634   -4.8151
 GGD  C29   C  CH2   0  -0.410  -11.9118   3.3977   -5.0982
 GGD  C30   C  CH2   0  -0.428  -10.4462   3.5087   -5.4997
 GGD  C48   C  CH3   0  -0.671   -9.9732   4.9451   -5.6550
 GGD  C45   C  CH2   0  -0.404   -2.5520   3.0101    1.3044
 GGD  C46   C  CH2   0  -0.428   -3.4126   3.8443    0.3630
 GGD  C47   C  CH3   0  -0.667   -4.3322   3.0011   -0.5087
 GGD  HA11  H  HCH1  0   0.186   -6.8908   6.3592   -7.0046
 GGD  HA21  H  HCH1  0   0.226   -7.1133   9.2969   -6.1879
 GGD  HA31  H  HCH1  0   0.239   -9.1227   7.3251   -7.3688
 GGD  HA41  H  HCH1  0   0.236   -9.1163   8.6517   -9.3558
 GGD  HA51  H  HCH1  0   0.232   -7.5741   6.8560   -9.1958
 GGD  HA61  H  HCH2  0   0.212   -6.0990   9.2416  -10.3968
 GGD  HA62  H  HCH2  0   0.229   -7.3533   8.2890  -11.1875
 GGD  HO21  H  HOH1  0   0.442   -8.7110   8.2348   -4.7569
 GGD  HO41  H  HOH1  0   0.453   -8.5402  10.6829   -8.3624
 GGD  HO61  H  HOH1  0   0.447   -4.8747   7.2796  -10.3091
 GGD  HO6   H  HOH1  0   0.457  -13.0702   9.0578  -11.2222
 GGD  HB11  H  HCH1  0   0.176  -11.0623   7.6954   -6.7145
 GGD  HB21  H  HCH1  0   0.256  -11.5298  10.4324   -5.4393
 GGD  HB31  H  HCH1  0   0.203  -13.2747   7.9331   -5.4810
 GGD  HB41  H  HCH1  0   0.233  -13.6822  10.5972   -6.8922
 GGD  HB51  H  HCH1  0   0.224  -13.0337   7.8194   -7.9935
 GGD  HB61  H  HCH2  0   0.201  -13.3113  10.5087   -9.3998
 GGD  HB62  H  HCH2  0   0.206  -14.5095   9.2123   -9.4299
 GGD  HO2   H  HOH1  0   0.448  -11.4280   7.9728   -4.0920
 GGD  HO3   H  HOH1  0   0.453  -14.7231   9.4323   -4.4731
 GGD  HO4   H  HOH1  0   0.465  -15.6203   9.7051   -7.3607
 GGD  HC31  H  HCH2  0   0.246   -5.0910   5.3676   -6.5352
 GGD  HC32  H  HCH2  0   0.247   -3.7245   6.4055   -6.9235
 GGD  HC41  H  HCH1  0   0.272   -3.3872   4.9913   -4.9067
 GGD  HC61  H  HCH2  0   0.252   -3.4189   7.9713   -4.2278
 GGD  HC62  H  HCH2  0   0.250   -2.1994   7.1743   -5.2345
 GGD  H141  H  HCH2  0   0.292   -7.4134   6.0271   -3.1730
 GGD  H142  H  HCH2  0   0.266   -6.4289   5.5199   -1.8285
 GGD  H151  H  HCH2  0   0.235   -8.1760   3.6506   -3.5149
 GGD  H152  H  HCH2  0   0.226   -7.2516   3.1555   -2.1141
 GGD  H161  H  HCH2  0   0.206   -9.4601   5.2643   -2.0558
 GGD  H162  H  HCH2  0   0.216   -8.5939   4.6579   -0.6618
 GGD  H171  H  HCH2  0   0.211   -9.5179   2.3566   -1.1224
 GGD  H172  H  HCH2  0   0.220  -10.3822   3.0011   -2.5012
 GGD  H181  H  HCH2  0   0.205  -11.5799   4.6022   -0.9456
 GGD  H182  H  HCH2  0   0.209  -10.7828   3.8330    0.4083
 GGD  H191  H  HCH2  0   0.205  -11.8668   1.6405   -0.2485
 GGD  H192  H  HCH2  0   0.227  -12.6813   2.4652   -1.5586
 GGD  H201  H  HCH2  0   0.222  -12.9864   3.0814    1.4196
 GGD  H202  H  HCH2  0   0.209  -13.7459   4.0147    0.1508
 GGD  H211  H  HCH2  0   0.223  -14.2642   1.0430    0.6730
 GGD  H212  H  HCH2  0   0.234  -15.2812   2.3752    1.1881
 GGD  H221  H  H     0   0.219  -15.5290   3.0152   -1.3330
 GGD  H231  H  H     0   0.222  -15.4273  -0.0284   -1.1824
 GGD  H241  H  HCH2  0   0.227  -16.4371   2.0090   -3.2666
 GGD  H242  H  HCH2  0   0.235  -17.3857   0.6183   -2.7956
 GGD  H311  H  HCH2  0   0.278    0.0116   5.8451   -2.0442
 GGD  H312  H  HCH2  0   0.270   -1.3451   6.0855   -0.9781
 GGD  H321  H  HCH2  0   0.226   -0.3926   8.2672   -0.2169
 GGD  H322  H  HCH2  0   0.228    0.9346   8.1022   -1.3504
 GGD  H331  H  HCH2  0   0.213    1.6851   6.0267   -0.2091
 GGD  H332  H  HCH2  0   0.218    0.3457   6.1359    0.9117
 GGD  H341  H  HCH2  0   0.210    2.5689   8.2133    0.6582
 GGD  H342  H  HCH2  0   0.208    1.2156   8.3072    1.7680
 GGD  H351  H  HCH2  0   0.232    1.9271   6.1112    2.7774
 GGD  H352  H  HCH2  0   0.205    3.3224   6.0923    1.7289
 GGD  H361  H  HCH2  0   0.221    4.1676   8.1806    2.7927
 GGD  H362  H  HCH2  0   0.210    2.7307   8.2685    3.7902
 GGD  H371  H  HCH2  0   0.234    4.6887   7.3088    5.0004
 GGD  H372  H  HCH2  0   0.223    4.7685   5.9850    3.8490
 GGD  H381  H  H     0   0.222    2.4062   6.5235    5.7610
 GGD  H391  H  H     0   0.222    3.5849   3.9972    4.5248
 GGD  H401  H  HCH2  0   0.223    1.2699   4.5365    6.4956
 GGD  H402  H  HCH2  0   0.233    2.3561   3.1632    6.6106
 GGD  H411  H  HCH2  0   0.211    1.5706   2.3108    4.4130
 GGD  H412  H  HCH2  0   0.220    0.2985   2.4098    5.6097
 GGD  H421  H  HCH2  0   0.204   -0.4807   4.5691    4.6072
 GGD  H422  H  HCH2  0   0.228    0.7777   4.4604    3.3974
 GGD  H431  H  HCH2  0   0.208   -1.4554   2.4126    3.7769
 GGD  H432  H  HCH2  0   0.206   -0.1885   2.3055    2.5730
 GGD  H441  H  HCH2  0   0.207   -2.2410   4.5626    2.7615
 GGD  H442  H  HCH2  0   0.213   -0.9778   4.4533    1.5538
 GGD  H251  H  HCH2  0   0.219  -15.8048  -0.9503   -3.6917
 GGD  H252  H  HCH2  0   0.219  -16.1817   0.2325   -4.9231
 GGD  H261  H  HCH2  0   0.212  -13.6522   0.1126   -3.2134
 GGD  H262  H  HCH2  0   0.215  -13.7878  -0.3088   -4.9047
 GGD  H271  H  HCH2  0   0.214  -14.1065   2.4771   -3.7019
 GGD  H272  H  HCH2  0   0.208  -14.4089   2.1149   -5.3892
 GGD  H281  H  HCH2  0   0.209  -12.0730   1.3292   -5.6683
 GGD  H282  H  HCH2  0   0.206  -11.7584   1.5816   -3.9666
 GGD  H291  H  HCH2  0   0.213  -12.5402   3.8236   -5.8884
 GGD  H292  H  HCH2  0   0.203  -12.0892   4.0114   -4.2071
 GGD  H301  H  HCH2  0   0.218  -10.2818   2.9652   -6.4349
 GGD  H302  H  HCH2  0   0.214   -9.8291   3.0030   -4.7498
 GGD  H481  H  HCH3  0   0.204  -10.0989   5.5102   -4.7287
 GGD  H482  H  HCH3  0   0.218  -10.5385   5.4589   -6.4360
 GGD  H483  H  HCH3  0   0.232   -8.9167   5.0012   -5.9203
 GGD  H451  H  HCH2  0   0.207   -1.9482   2.3074    0.7191
 GGD  H452  H  HCH2  0   0.208   -3.2031   2.3972    1.9374
 GGD  H461  H  HCH2  0   0.215   -2.7666   4.4530   -0.2780
 GGD  H462  H  HCH2  0   0.213   -4.0095   4.5499    0.9492
 GGD  H471  H  HCH3  0   0.220   -5.0044   2.3903    0.0964
 GGD  H472  H  HCH3  0   0.224   -4.9519   3.6282   -1.1495
 GGD  H473  H  HCH3  0   0.220   -3.7652   2.3302   -1.1564

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
 GGD  CA1  CA2   single  1.523  0.020  1.523
 GGD  CA1  OA1   single  1.374  0.020  1.374
 GGD  CA1  OA5   single  1.404  0.020  1.404
 GGD  CA1  HA11  single  0.970  0.020  1.090
 GGD  CA2  CA3   single  1.525  0.020  1.525
 GGD  CA2  OA2   single  1.402  0.020  1.402
 GGD  CA2  HA21  single  0.970  0.020  1.090
 GGD  CA3  CA4   single  1.526  0.020  1.526
 GGD  CA3  OB1   single  1.414  0.020  1.414
 GGD  CA3  HA31  single  0.970  0.020  1.090
 GGD  CA4  CA5   single  1.524  0.020  1.524
 GGD  CA4  OA4   single  1.405  0.020  1.405
 GGD  CA4  HA41  single  0.970  0.020  1.090
 GGD  CA5  CA6   single  1.519  0.020  1.519
 GGD  CA5  OA5   single  1.416  0.020  1.416
 GGD  CA5  HA51  single  0.970  0.020  1.090
 GGD  CA6  OA6   single  1.408  0.020  1.408
 GGD  CA6  HA61  single  0.970  0.020  1.090
 GGD  CA6  HA62  single  0.970  0.020  1.090
 GGD  OA1  CC3   single  1.411  0.020  1.411
 GGD  OA2  HO21  single  0.850  0.020  0.980
 GGD  OA4  HO41  single  0.850  0.020  0.980
 GGD  OA6  HO61  single  0.850  0.020  0.980
 GGD  OB6  CB6   single  1.406  0.020  1.406
 GGD  OB6  HO6   single  0.850  0.020  0.980
 GGD  CB1  CB2   single  1.529  0.020  1.529
 GGD  CB1  OB1   single  1.378  0.020  1.378
 GGD  CB1  OB5   single  1.397  0.020  1.397
 GGD  CB1  HB11  single  0.970  0.020  1.090
 GGD  CB2  CB3   single  1.521  0.020  1.521
 GGD  CB2  OB2   single  1.409  0.020  1.409
 GGD  CB2  HB21  single  0.970  0.020  1.090
 GGD  CB3  CB4   single  1.528  0.020  1.528
 GGD  CB3  OB3   single  1.402  0.020  1.402
 GGD  CB3  HB31  single  0.970  0.020  1.090
 GGD  CB4  CB5   single  1.533  0.020  1.533
 GGD  CB4  OB4   single  1.409  0.020  1.409
 GGD  CB4  HB41  single  0.970  0.020  1.090
 GGD  CB5  CB6   single  1.512  0.020  1.512
 GGD  CB5  OB5   single  1.414  0.020  1.414
 GGD  CB5  HB51  single  0.970  0.020  1.090
 GGD  CB6  HB61  single  0.970  0.020  1.090
 GGD  CB6  HB62  single  0.970  0.020  1.090
 GGD  OB2  HO2   single  0.850  0.020  0.980
 GGD  OB3  HO3   single  0.850  0.020  0.980
 GGD  OB4  HO4   single  0.850  0.020  0.980
 GGD  CC3  CC4   single  1.521  0.020  1.521
 GGD  CC3  HC31  single  0.970  0.020  1.090
 GGD  CC3  HC32  single  0.970  0.020  1.090
 GGD  CC4  OC6   single  1.428  0.020  1.428
 GGD  CC4  CC6   single  1.513  0.020  1.513
 GGD  CC4  HC41  single  0.970  0.020  1.090
 GGD  OC6  CC5   single  1.330  0.020  1.330
 GGD  CC5  OC7   double  1.205  0.020  1.205
 GGD  CC5  C14   single  1.503  0.020  1.503
 GGD  CC6  OC8   single  1.427  0.020  1.427
 GGD  CC6  HC61  single  0.970  0.020  1.090
 GGD  CC6  HC62  single  0.970  0.020  1.090
 GGD  OC8  CC7   single  1.330  0.020  1.330
 GGD  CC7  OC9   double  1.205  0.020  1.205
 GGD  CC7  C31   single  1.503  0.020  1.503
 GGD  C14  C15   single  1.519  0.020  1.519
 GGD  C14  H141  single  0.970  0.020  1.090
 GGD  C14  H142  single  0.970  0.020  1.090
 GGD  C15  C16   single  1.524  0.020  1.524
 GGD  C15  H151  single  0.970  0.020  1.090
 GGD  C15  H152  single  0.970  0.020  1.090
 GGD  C16  C17   single  1.523  0.020  1.523
 GGD  C16  H161  single  0.970  0.020  1.090
 GGD  C16  H162  single  0.970  0.020  1.090
 GGD  C17  C18   single  1.523  0.020  1.523
 GGD  C17  H171  single  0.970  0.020  1.090
 GGD  C17  H172  single  0.970  0.020  1.090
 GGD  C18  C19   single  1.523  0.020  1.523
 GGD  C18  H181  single  0.970  0.020  1.090
 GGD  C18  H182  single  0.970  0.020  1.090
 GGD  C19  C20   single  1.523  0.020  1.523
 GGD  C19  H191  single  0.970  0.020  1.090
 GGD  C19  H192  single  0.970  0.020  1.090
 GGD  C20  C21   single  1.529  0.020  1.529
 GGD  C20  H201  single  0.970  0.020  1.090
 GGD  C20  H202  single  0.970  0.020  1.090
 GGD  C21  C22   single  1.497  0.020  1.497
 GGD  C21  H211  single  0.970  0.020  1.090
 GGD  C21  H212  single  0.970  0.020  1.090
 GGD  C22  C23   double  1.329  0.020  1.329
 GGD  C22  H221  single  0.930  0.020  1.080
 GGD  C23  C24   single  1.496  0.020  1.496
 GGD  C23  H231  single  0.930  0.020  1.080
 GGD  C24  C25   single  1.532  0.020  1.532
 GGD  C24  H241  single  0.970  0.020  1.090
 GGD  C24  H242  single  0.970  0.020  1.090
 GGD  C31  C32   single  1.521  0.020  1.521
 GGD  C31  H311  single  0.970  0.020  1.090
 GGD  C31  H312  single  0.970  0.020  1.090
 GGD  C32  C33   single  1.522  0.020  1.522
 GGD  C32  H321  single  0.970  0.020  1.090
 GGD  C32  H322  single  0.970  0.020  1.090
 GGD  C33  C34   single  1.523  0.020  1.523
 GGD  C33  H331  single  0.970  0.020  1.090
 GGD  C33  H332  single  0.970  0.020  1.090
 GGD  C34  C35   single  1.522  0.020  1.522
 GGD  C34  H341  single  0.970  0.020  1.090
 GGD  C34  H342  single  0.970  0.020  1.090
 GGD  C35  C36   single  1.522  0.020  1.522
 GGD  C35  H351  single  0.970  0.020  1.090
 GGD  C35  H352  single  0.970  0.020  1.090
 GGD  C36  C37   single  1.533  0.020  1.533
 GGD  C36  H361  single  0.970  0.020  1.090
 GGD  C36  H362  single  0.970  0.020  1.090
 GGD  C37  C38   single  1.497  0.020  1.497
 GGD  C37  H371  single  0.970  0.020  1.090
 GGD  C37  H372  single  0.970  0.020  1.090
 GGD  C38  C39   double  1.330  0.020  1.330
 GGD  C38  H381  single  0.930  0.020  1.080
 GGD  C39  C40   single  1.497  0.020  1.497
 GGD  C39  H391  single  0.930  0.020  1.080
 GGD  C40  C41   single  1.533  0.020  1.533
 GGD  C40  H401  single  0.970  0.020  1.090
 GGD  C40  H402  single  0.970  0.020  1.090
 GGD  C41  C42   single  1.524  0.020  1.524
 GGD  C41  H411  single  0.970  0.020  1.090
 GGD  C41  H412  single  0.970  0.020  1.090
 GGD  C42  C43   single  1.524  0.020  1.524
 GGD  C42  H421  single  0.970  0.020  1.090
 GGD  C42  H422  single  0.970  0.020  1.090
 GGD  C43  C44   single  1.524  0.020  1.524
 GGD  C43  H431  single  0.970  0.020  1.090
 GGD  C43  H432  single  0.970  0.020  1.090
 GGD  C44  C45   single  1.524  0.020  1.524
 GGD  C44  H441  single  0.970  0.020  1.090
 GGD  C44  H442  single  0.970  0.020  1.090
 GGD  C25  C26   single  1.525  0.020  1.525
 GGD  C25  H251  single  0.970  0.020  1.090
 GGD  C25  H252  single  0.970  0.020  1.090
 GGD  C26  C27   single  1.523  0.020  1.523
 GGD  C26  H261  single  0.970  0.020  1.090
 GGD  C26  H262  single  0.970  0.020  1.090
 GGD  C27  C28   single  1.523  0.020  1.523
 GGD  C27  H271  single  0.970  0.020  1.090
 GGD  C27  H272  single  0.970  0.020  1.090
 GGD  C28  C29   single  1.523  0.020  1.523
 GGD  C28  H281  single  0.970  0.020  1.090
 GGD  C28  H282  single  0.970  0.020  1.090
 GGD  C29  C30   single  1.524  0.020  1.524
 GGD  C29  H291  single  0.970  0.020  1.090
 GGD  C29  H292  single  0.970  0.020  1.090
 GGD  C30  C48   single  1.520  0.020  1.520
 GGD  C30  H301  single  0.970  0.020  1.090
 GGD  C30  H302  single  0.970  0.020  1.090
 GGD  C48  H481  single  0.970  0.020  1.090
 GGD  C48  H482  single  0.970  0.020  1.090
 GGD  C48  H483  single  0.970  0.020  1.090
 GGD  C45  C46   single  1.524  0.020  1.524
 GGD  C45  H451  single  0.970  0.020  1.090
 GGD  C45  H452  single  0.970  0.020  1.090
 GGD  C46  C47   single  1.522  0.020  1.522
 GGD  C46  H461  single  0.970  0.020  1.090
 GGD  C46  H462  single  0.970  0.020  1.090
 GGD  C47  H471  single  0.970  0.020  1.090
 GGD  C47  H472  single  0.970  0.020  1.090
 GGD  C47  H473  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
 GGD  HA11  CA1  OA5   109.44  3.000
 GGD  HA11  CA1  OA1   110.74  3.000
 GGD  OA5   CA1  OA1   108.53  3.000
 GGD  HA11  CA1  CA2   108.84  3.000
 GGD  OA5   CA1  CA2   109.82  3.000
 GGD  OA1   CA1  CA2   109.46  3.000
 GGD  HA21  CA2  OA2   111.48  3.000
 GGD  HA21  CA2  CA3   109.19  3.000
 GGD  OA2   CA2  CA3   111.33  3.000
 GGD  HA21  CA2  CA1   108.44  3.000
 GGD  OA2   CA2  CA1   108.54  3.000
 GGD  CA3   CA2  CA1   107.74  3.000
 GGD  HA31  CA3  OB1   110.11  3.000
 GGD  HA31  CA3  CA4   107.46  3.000
 GGD  OB1   CA3  CA4   112.10  3.000
 GGD  HA31  CA3  CA2   108.31  3.000
 GGD  OB1   CA3  CA2   106.90  3.000
 GGD  CA4   CA3  CA2   111.92  3.000
 GGD  HA41  CA4  OA4   111.37  3.000
 GGD  HA41  CA4  CA5   107.88  3.000
 GGD  OA4   CA4  CA5   109.48  3.000
 GGD  HA41  CA4  CA3   108.54  3.000
 GGD  OA4   CA4  CA3   112.03  3.000
 GGD  CA5   CA4  CA3   107.37  3.000
 GGD  HA51  CA5  OA5   109.86  3.000
 GGD  HA51  CA5  CA6   108.06  3.000
 GGD  OA5   CA5  CA6   107.49  3.000
 GGD  HA51  CA5  CA4   106.90  3.000
 GGD  OA5   CA5  CA4   110.90  3.000
 GGD  CA6   CA5  CA4   113.58  3.000
 GGD  HA62  CA6  HA61  107.36  3.000
 GGD  HA62  CA6  OA6   107.04  3.000
 GGD  HA61  CA6  OA6   111.67  3.000
 GGD  HA62  CA6  CA5   108.40  3.000
 GGD  HA61  CA6  CA5   109.95  3.000
 GGD  OA6   CA6  CA5   112.20  3.000
 GGD  CC3   OA1  CA1   115.96  3.000
 GGD  HO21  OA2  CA2   108.37  3.000
 GGD  HO41  OA4  CA4   108.11  3.000
 GGD  CA5   OA5  CA1   113.66  3.000
 GGD  HO61  OA6  CA6   108.05  3.000
 GGD  HO6   OB6  CB6   107.99  3.000
 GGD  HB11  CB1  OB5   109.64  3.000
 GGD  HB11  CB1  OB1   110.79  3.000
 GGD  OB5   CB1  OB1   108.18  3.000
 GGD  HB11  CB1  CB2   108.76  3.000
 GGD  OB5   CB1  CB2   111.39  3.000
 GGD  OB1   CB1  CB2   108.08  3.000
 GGD  HB21  CB2  OB2   106.85  3.000
 GGD  HB21  CB2  CB3   109.14  3.000
 GGD  OB2   CB2  CB3   112.88  3.000
 GGD  HB21  CB2  CB1   108.41  3.000
 GGD  OB2   CB2  CB1   110.35  3.000
 GGD  CB3   CB2  CB1   109.10  3.000
 GGD  HB31  CB3  OB3   110.57  3.000
 GGD  HB31  CB3  CB4   107.15  3.000
 GGD  OB3   CB3  CB4   111.92  3.000
 GGD  HB31  CB3  CB2   107.98  3.000
 GGD  OB3   CB3  CB2   108.59  3.000
 GGD  CB4   CB3  CB2   110.56  3.000
 GGD  HB41  CB4  OB4   111.23  3.000
 GGD  HB41  CB4  CB5   108.49  3.000
 GGD  OB4   CB4  CB5   111.93  3.000
 GGD  HB41  CB4  CB3   108.38  3.000
 GGD  OB4   CB4  CB3   106.79  3.000
 GGD  CB5   CB4  CB3   109.94  3.000
 GGD  HB51  CB5  OB5   110.17  3.000
 GGD  HB51  CB5  CB6   108.79  3.000
 GGD  OB5   CB5  CB6   107.86  3.000
 GGD  HB51  CB5  CB4   108.65  3.000
 GGD  OB5   CB5  CB4   109.03  3.000
 GGD  CB6   CB5  CB4   112.34  3.000
 GGD  HB62  CB6  HB61  107.08  3.000
 GGD  HB62  CB6  CB5   108.28  3.000
 GGD  HB61  CB6  CB5   108.95  3.000
 GGD  HB62  CB6  OB6   111.56  3.000
 GGD  HB61  CB6  OB6   111.95  3.000
 GGD  CB5   CB6  OB6   108.92  3.000
 GGD  CB1   OB1  CA3   117.92  3.000
 GGD  HO2   OB2  CB2   109.56  3.000
 GGD  HO3   OB3  CB3   107.81  3.000
 GGD  HO4   OB4  CB4   109.24  3.000
 GGD  CB5   OB5  CB1   113.21  3.000
 GGD  HC32  CC3  HC31  106.91  3.000
 GGD  HC32  CC3  CC4   108.83  3.000
 GGD  HC31  CC3  CC4   109.59  3.000
 GGD  HC32  CC3  OA1   111.67  3.000
 GGD  HC31  CC3  OA1   110.90  3.000
 GGD  CC4   CC3  OA1   108.89  3.000
 GGD  HC41  CC4  CC6   109.11  3.000
 GGD  HC41  CC4  OC6   111.01  3.000
 GGD  CC6   CC4  OC6   106.17  3.000
 GGD  HC41  CC4  CC3   107.71  3.000
 GGD  CC6   CC4  CC3   112.02  3.000
 GGD  OC6   CC4  CC3   110.84  3.000
 GGD  CC5   OC6  CC4   119.80  3.000
 GGD  C14   CC5  OC7   125.46  3.000
 GGD  C14   CC5  OC6   111.05  3.000
 GGD  OC7   CC5  OC6   123.47  3.000
 GGD  HC62  CC6  HC61  108.30  3.000
 GGD  HC62  CC6  OC8   110.00  3.000
 GGD  HC61  CC6  OC8   110.95  3.000
 GGD  HC62  CC6  CC4   109.13  3.000
 GGD  HC61  CC6  CC4   111.39  3.000
 GGD  OC8   CC6  CC4   107.06  3.000
 GGD  CC7   OC8  CC6   118.00  3.000
 GGD  C31   CC7  OC9   125.46  3.000
 GGD  C31   CC7  OC8   111.32  3.000
 GGD  OC9   CC7  OC8   123.20  3.000
 GGD  H142  C14  H141  105.46  3.000
 GGD  H142  C14  C15   111.24  3.000
 GGD  H141  C14  C15   110.17  3.000
 GGD  H142  C14  CC5   109.38  3.000
 GGD  H141  C14  CC5   106.07  3.000
 GGD  C15   C14  CC5   114.05  3.000
 GGD  H152  C15  H151  106.32  3.000
 GGD  H152  C15  C16   109.64  3.000
 GGD  H151  C15  C16   109.36  3.000
 GGD  H152  C15  C14   110.30  3.000
 GGD  H151  C15  C14   109.37  3.000
 GGD  C16   C15  C14   111.69  3.000
 GGD  H162  C16  H161  105.96  3.000
 GGD  H162  C16  C17   109.61  3.000
 GGD  H161  C16  C17   108.85  3.000
 GGD  H162  C16  C15   109.63  3.000
 GGD  H161  C16  C15   109.18  3.000
 GGD  C17   C16  C15   113.33  3.000
 GGD  H172  C17  H171  106.06  3.000
 GGD  H172  C17  C18   109.35  3.000
 GGD  H171  C17  C18   109.58  3.000
 GGD  H172  C17  C16   109.04  3.000
 GGD  H171  C17  C16   109.82  3.000
 GGD  C18   C17  C16   112.77  3.000
 GGD  H182  C18  H181  105.89  3.000
 GGD  H182  C18  C19   109.55  3.000
 GGD  H181  C18  C19   108.84  3.000
 GGD  H182  C18  C17   109.20  3.000
 GGD  H181  C18  C17   109.14  3.000
 GGD  C19   C18  C17   113.91  3.000
 GGD  H192  C19  H191  105.89  3.000
 GGD  H192  C19  C20   109.87  3.000
 GGD  H191  C19  C20   109.27  3.000
 GGD  H192  C19  C18   109.35  3.000
 GGD  H191  C19  C18   109.95  3.000
 GGD  C20   C19  C18   112.31  3.000
 GGD  H202  C20  H201  105.96  3.000
 GGD  H202  C20  C21   108.64  3.000
 GGD  H201  C20  C21   109.24  3.000
 GGD  H202  C20  C19   109.34  3.000
 GGD  H201  C20  C19   109.19  3.000
 GGD  C21   C20  C19   114.14  3.000
 GGD  H212  C21  H211  106.38  3.000
 GGD  H212  C21  C22   109.28  3.000
 GGD  H211  C21  C22   110.12  3.000
 GGD  H212  C21  C20   108.26  3.000
 GGD  H211  C21  C20   110.39  3.000
 GGD  C22   C21  C20   112.22  3.000
 GGD  H221  C22  C23   118.33  3.000
 GGD  H221  C22  C21   115.57  3.000
 GGD  C23   C22  C21   126.10  3.000
 GGD  H231  C23  C24   116.42  3.000
 GGD  H231  C23  C22   118.98  3.000
 GGD  C24   C23  C22   124.59  3.000
 GGD  H242  C24  H241  105.99  3.000
 GGD  H242  C24  C25   108.04  3.000
 GGD  H241  C24  C25   110.62  3.000
 GGD  H242  C24  C23   109.76  3.000
 GGD  H241  C24  C23   109.41  3.000
 GGD  C25   C24  C23   112.79  3.000
 GGD  H312  C31  H311  105.42  3.000
 GGD  H312  C31  C32   110.80  3.000
 GGD  H311  C31  C32   110.03  3.000
 GGD  H312  C31  CC7   109.13  3.000
 GGD  H311  C31  CC7   106.84  3.000
 GGD  C32   C31  CC7   114.17  3.000
 GGD  H322  C32  H321  106.60  3.000
 GGD  H322  C32  C33   109.41  3.000
 GGD  H321  C32  C33   109.79  3.000
 GGD  H322  C32  C31   109.92  3.000
 GGD  H321  C32  C31   109.72  3.000
 GGD  C33   C32  C31   111.29  3.000
 GGD  H332  C33  H331  105.94  3.000
 GGD  H332  C33  C34   108.65  3.000
 GGD  H331  C33  C34   109.35  3.000
 GGD  H332  C33  C32   109.57  3.000
 GGD  H331  C33  C32   109.20  3.000
 GGD  C34   C33  C32   113.82  3.000
 GGD  H342  C34  H341  106.25  3.000
 GGD  H342  C34  C35   109.56  3.000
 GGD  H341  C34  C35   110.05  3.000
 GGD  H342  C34  C33   109.24  3.000
 GGD  H341  C34  C33   109.82  3.000
 GGD  C35   C34  C33   111.76  3.000
 GGD  H352  C35  H351  105.69  3.000
 GGD  H352  C35  C36   109.34  3.000
 GGD  H351  C35  C36   108.71  3.000
 GGD  H352  C35  C34   109.41  3.000
 GGD  H351  C35  C34   108.80  3.000
 GGD  C36   C35  C34   114.51  3.000
 GGD  H362  C36  H361  106.23  3.000
 GGD  H362  C36  C37   109.16  3.000
 GGD  H361  C36  C37   109.35  3.000
 GGD  H362  C36  C35   109.50  3.000
 GGD  H361  C36  C35   109.92  3.000
 GGD  C37   C36  C35   112.48  3.000
 GGD  H372  C37  H371  106.72  3.000
 GGD  H372  C37  C38   110.01  3.000
 GGD  H371  C37  C38   109.72  3.000
 GGD  H372  C37  C36   109.53  3.000
 GGD  H371  C37  C36   108.86  3.000
 GGD  C38   C37  C36   111.86  3.000
 GGD  H381  C38  C39   118.76  3.000
 GGD  H381  C38  C37   115.74  3.000
 GGD  C39   C38  C37   125.45  3.000
 GGD  H391  C39  C40   115.80  3.000
 GGD  H391  C39  C38   118.69  3.000
 GGD  C40   C39  C38   125.50  3.000
 GGD  H402  C40  H401  106.51  3.000
 GGD  H402  C40  C41   108.31  3.000
 GGD  H401  C40  C41   109.71  3.000
 GGD  H402  C40  C39   109.37  3.000
 GGD  H401  C40  C39   109.93  3.000
 GGD  C41   C40  C39   112.80  3.000
 GGD  H412  C41  H411  106.04  3.000
 GGD  H412  C41  C42   109.20  3.000
 GGD  H411  C41  C42   109.48  3.000
 GGD  H412  C41  C40   108.67  3.000
 GGD  H411  C41  C40   109.22  3.000
 GGD  C42   C41  C40   113.93  3.000
 GGD  H422  C42  H421  105.96  3.000
 GGD  H422  C42  C43   109.15  3.000
 GGD  H421  C42  C43   109.48  3.000
 GGD  H422  C42  C41   109.63  3.000
 GGD  H421  C42  C41   109.32  3.000
 GGD  C43   C42  C41   113.06  3.000
 GGD  H432  C43  H431  106.05  3.000
 GGD  H432  C43  C44   109.34  3.000
 GGD  H431  C43  C44   109.19  3.000
 GGD  H432  C43  C42   109.26  3.000
 GGD  H431  C43  C42   109.41  3.000
 GGD  C44   C43  C42   113.33  3.000
 GGD  H442  C44  H441  106.02  3.000
 GGD  H442  C44  C45   109.19  3.000
 GGD  H441  C44  C45   109.33  3.000
 GGD  H442  C44  C43   109.37  3.000
 GGD  H441  C44  C43   109.35  3.000
 GGD  C45   C44  C43   113.31  3.000
 GGD  H252  C25  H251  106.06  3.000
 GGD  H252  C25  C26   109.73  3.000
 GGD  H251  C25  C26   108.64  3.000
 GGD  H252  C25  C24   108.70  3.000
 GGD  H251  C25  C24   108.76  3.000
 GGD  C26   C25  C24   114.61  3.000
 GGD  H262  C26  H261  105.92  3.000
 GGD  H262  C26  C27   109.06  3.000
 GGD  H261  C26  C27   108.59  3.000
 GGD  H262  C26  C25   108.57  3.000
 GGD  H261  C26  C25   109.38  3.000
 GGD  C27   C26  C25   114.95  3.000
 GGD  H272  C27  H271  106.19  3.000
 GGD  H272  C27  C28   109.55  3.000
 GGD  H271  C27  C28   109.42  3.000
 GGD  H272  C27  C26   109.95  3.000
 GGD  H271  C27  C26   109.55  3.000
 GGD  C28   C27  C26   112.01  3.000
 GGD  H282  C28  H281  105.81  3.000
 GGD  H282  C28  C29   108.86  3.000
 GGD  H281  C28  C29   109.41  3.000
 GGD  H282  C28  C27   109.13  3.000
 GGD  H281  C28  C27   109.14  3.000
 GGD  C29   C28  C27   114.16  3.000
 GGD  H292  C29  H291  106.01  3.000
 GGD  H292  C29  C30   109.20  3.000
 GGD  H291  C29  C30   109.47  3.000
 GGD  H292  C29  C28   109.31  3.000
 GGD  H291  C29  C28   109.83  3.000
 GGD  C30   C29  C28   112.78  3.000
 GGD  H302  C30  H301  105.74  3.000
 GGD  H302  C30  C48   109.33  3.000
 GGD  H301  C30  C48   109.59  3.000
 GGD  H302  C30  C29   109.15  3.000
 GGD  H301  C30  C29   109.49  3.000
 GGD  C48   C30  C29   113.27  3.000
 GGD  H483  C48  H482  107.64  3.000
 GGD  H483  C48  H481  106.93  3.000
 GGD  H482  C48  H481  107.66  3.000
 GGD  H483  C48  C30   112.01  3.000
 GGD  H482  C48  C30   110.88  3.000
 GGD  H481  C48  C30   111.49  3.000
 GGD  H452  C45  H451  106.09  3.000
 GGD  H452  C45  C46   109.12  3.000
 GGD  H451  C45  C46   109.41  3.000
 GGD  H452  C45  C44   109.26  3.000
 GGD  H451  C45  C44   109.41  3.000
 GGD  C46   C45  C44   113.30  3.000
 GGD  H462  C46  H461  106.08  3.000
 GGD  H462  C46  C47   109.54  3.000
 GGD  H461  C46  C47   109.22  3.000
 GGD  H462  C46  C45   109.27  3.000
 GGD  H461  C46  C45   109.43  3.000
 GGD  C47   C46  C45   113.06  3.000
 GGD  H473  C47  H472  107.46  3.000
 GGD  H473  C47  H471  107.76  3.000
 GGD  H472  C47  H471  107.33  3.000
 GGD  H473  C47  C46   111.50  3.000
 GGD  H472  C47  C46   111.19  3.000
 GGD  H471  C47  C46   111.39  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
 GGD  Var_01  CC4   CC3  OA1  CA1  -147.53  30.0  3
 GGD  Var_02  C24   C23  C22  C21  -179.43   0.0  2
 GGD  Var_03  C40   C39  C38  C37  -176.60   0.0  2
 GGD  Var_04  OC7   CC5  OC6  CC4     8.34  30.0  3
 GGD  Var_05  C15   C14  CC5  OC6  -174.80  30.0  3
 GGD  Var_06  C16   C15  C14  CC5  -174.70  30.0  3
 GGD  Var_07  OC9   CC7  OC8  CC6     4.52  30.0  3
 GGD  Var_08  C32   C31  CC7  OC8  -167.72  30.0  3
 GGD  Var_09  C33   C32  C31  CC7  -174.70  30.0  3
 GGD  Var_10  C17   C16  C15  C14   174.63  30.0  3
 GGD  Var_11  C18   C17  C16  C15   179.81  30.0  3
 GGD  Var_12  C19   C18  C17  C16   174.27  30.0  3
 GGD  Var_13  C20   C19  C18  C17   177.73  30.0  3
 GGD  Var_14  C21   C20  C19  C18   175.26  30.0  3
 GGD  Var_15  C22   C21  C20  C19   -64.60  30.0  3
 GGD  Var_16  C23   C22  C21  C20   131.78  30.0  3
 GGD  Var_17  C25   C24  C23  C22   128.78  30.0  3
 GGD  Var_18  C26   C25  C24  C23   -52.03  30.0  3
 GGD  Var_19  C27   C26  C25  C24   -57.83  30.0  3
 GGD  Var_20  C34   C33  C32  C31  -177.77  30.0  3
 GGD  Var_21  C35   C34  C33  C32   179.71  30.0  3
 GGD  Var_22  C36   C35  C34  C33  -175.53  30.0  3
 GGD  Var_23  C37   C36  C35  C34   176.13  30.0  3
 GGD  Var_24  C38   C37  C36  C35   -63.39  30.0  3
 GGD  Var_25  C39   C38  C37  C36   113.69  30.0  3
 GGD  Var_26  C41   C40  C39  C38   120.75  30.0  3
 GGD  Var_27  C42   C41  C40  C39   -64.32  30.0  3
 GGD  Var_28  C43   C42  C41  C40  -179.12  30.0  3
 GGD  Var_29  C44   C43  C42  C41   179.99  30.0  3
 GGD  Var_30  C45   C44  C43  C42  -179.98  30.0  3
 GGD  Var_31  C46   C45  C44  C43   179.02  30.0  3
 GGD  Var_32  C47   C46  C45  C44  -179.51  30.0  3
 GGD  Var_33  C28   C27  C26  C25  -174.01  30.0  3
 GGD  Var_34  C29   C28  C27  C26  -175.71  30.0  3
 GGD  Var_35  C30   C29  C28  C27  -175.48  30.0  3
 GGD  Var_36  C48   C30  C29  C28  -174.47  30.0  3
 GGD  Var_37  HC61  CC6  OC8  CC7   -58.11  30.0  2
 GGD  Var_38  H481  C48  C30  C29    58.93  30.0  3
 GGD  Var_39  H471  C47  C46  C45    58.80  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
 GGD  chir_01  CA1  CA2  OA1  OA5  positiv
 GGD  chir_02  CA2  OA2  CA1  CA3  negativ
 GGD  chir_03  CA3  OB1  CA4  CA2  negativ
 GGD  chir_04  CA4  OA4  CA5  CA3  negativ
 GGD  chir_05  CA5  OA5  CA4  CA6  negativ
 GGD  chir_06  CB1  OB1  OB5  CB2  positiv
 GGD  chir_07  CB2  OB2  CB1  CB3  negativ
 GGD  chir_08  CB3  OB3  CB2  CB4  positiv
 GGD  chir_09  CB4  OB4  CB5  CB3  positiv
 GGD  chir_10  CB5  OB5  CB4  CB6  negativ
 GGD  chir_11  CC4  CC3  OC6  CC6  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
 GGD  plan-1  OC6   0.020
 GGD  plan-1  CC5   0.020
 GGD  plan-1  OC7   0.020
 GGD  plan-1  C14   0.020
 GGD  plan-2  OC8   0.020
 GGD  plan-2  CC7   0.020
 GGD  plan-2  OC9   0.020
 GGD  plan-2  C31   0.020
 GGD  plan-3  C21   0.020
 GGD  plan-3  C22   0.020
 GGD  plan-3  C23   0.020
 GGD  plan-3  C24   0.020
 GGD  plan-3  H221  0.020
 GGD  plan-3  H231  0.020
 GGD  plan-4  C37   0.020
 GGD  plan-4  C38   0.020
 GGD  plan-4  C39   0.020
 GGD  plan-4  C40   0.020
 GGD  plan-4  H381  0.020
 GGD  plan-4  H391  0.020

