data_NTO
#

_chem_comp.id                                   NTO
_chem_comp.name                                 "TRISULFOAMINO HEPARIN PENTASACCHARIDE"
_chem_comp.type                                 saccharide
_chem_comp.pdbx_type                            ATOMS
_chem_comp.formula                              "C31 H53 N3 O49 S8"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        Fondaparinux
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2006-04-03
_chem_comp.pdbx_modified_date                   2020-07-17
_chem_comp.pdbx_ambiguous_flag                  N
_chem_comp.pdbx_release_status                  OBS
_chem_comp.pdbx_replaced_by                     ?
_chem_comp.pdbx_replaces                        ?
_chem_comp.formula_weight                       1508.263
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    NTO
_chem_comp.pdbx_model_coordinates_details       ?
_chem_comp.pdbx_model_coordinates_missing_flag  N
_chem_comp.pdbx_ideal_coordinates_details       ?
_chem_comp.pdbx_ideal_coordinates_missing_flag  N
_chem_comp.pdbx_model_coordinates_db_code       ?
_chem_comp.pdbx_subcomponent_list               "ZDO IDS SUS BDP SGN"
_chem_comp.pdbx_processing_site                 RCSB
#   #
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.alt_atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.charge
_chem_comp_atom.pdbx_align
_chem_comp_atom.pdbx_aromatic_flag
_chem_comp_atom.pdbx_leaving_atom_flag
_chem_comp_atom.pdbx_stereo_config
_chem_comp_atom.model_Cartn_x
_chem_comp_atom.model_Cartn_y
_chem_comp_atom.model_Cartn_z
_chem_comp_atom.pdbx_model_Cartn_x_ideal
_chem_comp_atom.pdbx_model_Cartn_y_ideal
_chem_comp_atom.pdbx_model_Cartn_z_ideal
_chem_comp_atom.pdbx_component_atom_id
_chem_comp_atom.pdbx_component_comp_id
_chem_comp_atom.pdbx_ordinal
_chem_comp_atom.pdbx_residue_numbering
_chem_comp_atom.pdbx_polymer_type
_chem_comp_atom.pdbx_component_id
NTO  C5L   C5L   C  0  1  N  N  S  -83.802  -21.825  25.479   -9.478   1.570   0.152  C1    ZDO    1  1  polymer  1  
NTO  C5N   C5N   C  0  1  N  N  N  -82.911  -21.975  27.628  -11.326   0.253   0.492  C1M   ZDO    2  1  polymer  1  
NTO  C5F   C5F   C  0  1  N  N  R  -85.078  -21.719  24.639   -8.419   2.010  -0.861  C2    ZDO    3  1  polymer  1  
NTO  C59   C59   C  0  1  N  N  R  -85.743  -23.091  24.511   -7.485   0.831  -1.153  C3    ZDO    4  1  polymer  1  
NTO  C50   C50   C  0  1  N  N  S  -84.730  -24.097  23.959   -6.935   0.302   0.177  C4    ZDO    5  1  polymer  1  
NTO  C51   C51   C  0  1  N  N  R  -83.571  -24.125  24.943   -8.106  -0.009   1.112  C5    ZDO    6  1  polymer  1  
NTO  C53   C53   C  0  1  N  N  N  -82.538  -25.174  24.532   -7.567  -0.569   2.430  C6    ZDO    7  1  polymer  1  
NTO  O5M   O5M   O  0  1  N  N  N  -84.107  -22.101  26.855  -10.212   0.463  -0.377  O1    ZDO    8  1  polymer  1  
NTO  N5G   N5G   N  0  1  N  N  N  -86.017  -20.767  25.255   -9.074   2.435  -2.101  N2    ZDO    9  1  polymer  1  
NTO  S5H   S5H   S  0  1  N  N  N  -85.719  -19.244  24.751   -9.401   4.038  -2.357  S2    ZDO   10  1  polymer  1  
NTO  O5I   O5I   O  0  1  N  N  N  -86.845  -18.788  23.872  -10.009   4.503  -1.161  OSA   ZDO   11  1  polymer  1  
NTO  O5J   O5J   O  0  1  N  N  N  -84.435  -19.216  23.977   -9.975   4.112  -3.655  OSB   ZDO   12  1  polymer  1  
NTO  O5K   O5K   O  0  1  N  N  N  -85.613  -18.327  25.935   -8.067   4.764  -2.453  OSC   ZDO   13  1  polymer  1  
NTO  O5A   O5A   O  0  1  N  N  N  -86.856  -23.002  23.617   -6.404   1.265  -1.980  O3    ZDO   14  1  polymer  1  
NTO  O4G   O4G   O  0  1  N  N  N  -85.352  -25.387  23.867   -6.180  -0.888  -0.056  O4    ZDO   15  1  polymer  1  
NTO  O52   O52   O  0  1  N  N  N  -82.930  -22.840  24.954   -8.848   1.181   1.371  O5    ZDO   16  1  polymer  1  
NTO  O54   O54   O  0  1  N  N  N  -81.902  -24.822  23.302   -8.660  -0.951   3.268  O6    ZDO   17  1  polymer  1  
NTO  S55   S55   S  0  1  N  N  N  -81.003  -25.753  22.695   -8.063  -1.385   4.599  S6    ZDO   18  1  polymer  1  
NTO  O56   O56   O  0  1  N  N  N  -81.796  -26.790  21.956   -9.151  -1.882   5.366  OS1   ZDO   19  1  polymer  1  
NTO  O58   O58   O  0  1  N  N  N  -80.095  -25.033  21.742   -6.884  -2.110   4.276  OS2   ZDO   20  1  polymer  1  
NTO  O57   O57   O  0  1  N  N  N  -80.177  -26.413  23.759   -7.591  -0.128   5.317  OS3   ZDO   21  1  polymer  1  
NTO  C4F   C4F   C  0  1  N  N  R  -85.112  -25.959  22.571   -4.915  -0.706   0.583  C1    IDS   22  2  polymer  1  
NTO  C49   C49   C  0  1  N  N  R  -85.589  -27.414  22.547   -4.209  -2.058   0.710  C2    IDS   23  2  polymer  1  
NTO  C46   C46   C  0  1  N  N  S  -85.769  -27.888  21.103   -4.029  -2.662  -0.686  C3    IDS   24  2  polymer  1  
NTO  C40   C40   C  0  1  N  N  S  -86.815  -27.031  20.385   -3.315  -1.636  -1.574  C4    IDS   25  2  polymer  1  
NTO  C41   C41   C  0  1  N  N  R  -86.991  -25.719  21.137   -4.087  -0.316  -1.530  C5    IDS   26  2  polymer  1  
NTO  C43   C43   C  0  1  N  N  N  -87.699  -24.715  20.226   -3.411   0.689  -2.426  C6    IDS   27  2  polymer  1  
NTO  O4A   O4A   O  0  1  N  N  N  -84.645  -28.244  23.234   -2.931  -1.877   1.322  O2    IDS   28  2  polymer  1  
NTO  O47   O47   O  0  1  N  N  N  -86.206  -29.251  21.111   -5.305  -2.976  -1.245  O3    IDS   29  2  polymer  1  
NTO  O3M   O3M   O  0  1  N  N  N  -86.397  -26.790  19.031   -1.985  -1.429  -1.094  O4    IDS   30  2  polymer  1  
NTO  O42   O42   O  0  1  N  N  N  -85.713  -25.188  21.517   -4.115   0.184  -0.194  O5    IDS   31  2  polymer  1  
NTO  O45   O45   O  0  1  N  N  N  -86.989  -24.041  19.440   -2.927   1.690  -1.955  O61   IDS   32  2  polymer  1  
NTO  O44   O44   O  0  1  N  N  N  -88.939  -24.622  20.301   -3.346   0.471  -3.749  O62   IDS   33  2  polymer  1  
NTO  S4B   S4B   S  0  1  N  N  N  -85.215  -28.885  24.381   -3.102  -2.193   2.801  S     IDS   34  2  polymer  1  
NTO  O4D   O4D   O  0  1  N  N  N  -86.246  -29.886  23.947   -1.845  -1.915   3.403  O1S   IDS   35  2  polymer  1  
NTO  O4E   O4E   O  0  1  N  N  N  -84.124  -29.587  25.135   -4.342  -1.612   3.179  O2S   IDS   36  2  polymer  1  
NTO  O4C   O4C   O  0  1  N  N  N  -85.854  -27.865  25.279   -3.296  -3.698   2.925  O3S   IDS   37  2  polymer  1  
NTO  N3G   N3G   N  0  1  N  N  N  -84.662  -27.358  16.823   -0.415  -3.519  -2.244  N     SUS   38  3  polymer  1  
NTO  C3L   C3L   C  0  1  N  N  R  -86.684  -27.877  18.135   -1.166  -1.189  -2.240  C1    SUS   39  3  polymer  1  
NTO  S3H   S3H   S  0  1  N  N  N  -83.907  -28.783  17.077   -0.482  -4.330  -3.686  S1    SUS   40  3  polymer  1  
NTO  C3F   C3F   C  0  1  N  N  R  -86.123  -27.511  16.760    0.043  -2.128  -2.207  C2    SUS   41  3  polymer  1  
NTO  S35   S35   S  0  1  N  N  N  -92.003  -28.229  16.124   -0.644   4.124  -0.693  S2    SUS   42  3  polymer  1  
NTO  C39   C39   C  0  1  N  N  R  -86.757  -26.194  16.305    0.831  -1.882  -0.917  C3    SUS   43  3  polymer  1  
NTO  O3A   O3A   O  0  1  N  N  N  -86.275  -25.864  15.000    2.041  -2.642  -0.938  O3    SUS   44  3  polymer  1  
NTO  S3B   S3B   S  0  1  N  N  N  -85.724  -24.545  15.006    2.139  -3.352   0.404  S3    SUS   45  3  polymer  1  
NTO  C30   C30   C  0  1  N  N  R  -88.283  -26.315  16.281    1.163  -0.389  -0.823  C4    SUS   46  3  polymer  1  
NTO  O2D   O2D   O  0  1  N  N  N  -88.894  -25.036  16.049    1.769  -0.111   0.442  O4    SUS   47  3  polymer  1  
NTO  C31   C31   C  0  1  N  N  R  -88.773  -26.856  17.616   -0.129   0.419  -0.960  C5    SUS   48  3  polymer  1  
NTO  O32   O32   O  0  1  N  N  N  -88.100  -28.073  17.978   -0.723   0.167  -2.232  O5    SUS   49  3  polymer  1  
NTO  C33   C33   C  0  1  N  N  N  -90.285  -27.083  17.521    0.189   1.910  -0.834  C6    SUS   50  3  polymer  1  
NTO  O34   O34   O  0  1  N  N  N  -90.632  -27.970  16.453   -1.029   2.657  -0.819  O6    SUS   51  3  polymer  1  
NTO  O3J   O3J   O  0  1  N  N  N  -82.585  -28.794  16.367   -0.906  -5.649  -3.368  O1S   SUS   52  3  polymer  1  
NTO  O3I   O3I   O  0  1  N  N  N  -83.680  -28.973  18.547    0.944  -4.466  -4.198  O2S   SUS   53  3  polymer  1  
NTO  O3K   O3K   O  0  1  N  N  N  -84.740  -29.908  16.539   -1.136  -3.452  -4.593  O3S   SUS   54  3  polymer  1  
NTO  O36   O36   O  0  1  N  N  N  -92.504  -27.207  15.147   -1.863   4.829  -0.500  O4S   SUS   55  3  polymer  1  
NTO  O38   O38   O  0  1  N  N  N  -92.125  -29.586  15.497    0.472   4.156   0.186  O5S   SUS   56  3  polymer  1  
NTO  O37   O37   O  0  1  N  N  N  -92.842  -28.178  17.366   -0.116   4.575  -2.048  O6S   SUS   57  3  polymer  1  
NTO  O3D   O3D   O  0  1  N  N  N  -85.022  -24.291  13.705    3.399  -4.009   0.403  O7S   SUS   58  3  polymer  1  
NTO  O3E   O3E   O  0  1  N  N  N  -86.828  -23.545  15.178    1.705  -2.407   1.373  O8S   SUS   59  3  polymer  1  
NTO  O3C   O3C   O  0  1  N  N  N  -84.749  -24.405  16.138    1.095  -4.460   0.411  O9S   SUS   60  3  polymer  1  
NTO  C2C   C2C   C  0  1  N  N  R  -89.660  -25.011  14.834    2.993   0.575   0.172  C1    BDP   61  4  polymer  1  
NTO  C29   C29   C  0  1  N  N  R  -90.762  -23.953  14.941    3.574   1.114   1.481  C2    BDP   62  4  polymer  1  
NTO  C26   C26   C  0  1  N  N  R  -91.577  -23.912  13.647    4.868   1.878   1.176  C3    BDP   63  4  polymer  1  
NTO  C20   C20   C  0  1  N  N  S  -90.635  -23.671  12.464    5.801   0.961   0.377  C4    BDP   64  4  polymer  1  
NTO  C21   C21   C  0  1  N  N  S  -89.510  -24.694  12.472    5.052   0.433  -0.848  C5    BDP   65  4  polymer  1  
NTO  C23   C23   C  0  1  N  N  N  -88.528  -24.332  11.354    5.973  -0.444  -1.657  C6    BDP   66  4  polymer  1  
NTO  O2A   O2A   O  0  1  N  N  N  -91.621  -24.244  16.047    2.632   1.995   2.096  O2    BDP   67  4  polymer  1  
NTO  O27   O27   O  0  1  N  N  N  -92.556  -22.870  13.725    5.502   2.260   2.398  O3    BDP   68  4  polymer  1  
NTO  O1L   O1L   O  0  1  N  N  N  -91.353  -23.753  11.225    6.951   1.697  -0.045  O4    BDP   69  4  polymer  1  
NTO  O22   O22   O  0  1  N  N  N  -88.804  -24.697  13.724    3.918  -0.327  -0.432  O5    BDP   70  4  polymer  1  
NTO  O25   O25   O  0  1  N  N  N  -88.652  -24.899  10.248    5.857  -1.646  -1.611  O6A   BDP   71  4  polymer  1  
NTO  O24   O24   O  0  1  N  N  N  -87.648  -23.482  11.607    6.920   0.110  -2.429  O6B   BDP   72  4  polymer  1  
NTO  C1K   C1K   C  0  1  N  N  R  -92.032  -22.514  10.981    7.875   1.681   1.044  C1    SGN   73  5  polymer  1  
NTO  C1E   C1E   C  0  1  N  N  R  -93.423  -22.775  10.403    9.029   2.640   0.746  C2    SGN   74  5  polymer  1  
NTO  C1B   C1B   C  0  1  N  N  R  -93.292  -23.602   9.124    9.717   2.208  -0.552  C3    SGN   75  5  polymer  1  
NTO  C12   C12   C  0  1  N  N  S  -92.346  -22.895   8.152   10.111   0.732  -0.430  C4    SGN   76  5  polymer  1  
NTO  C13   C13   C  0  1  N  N  R  -91.034  -22.490   8.829    8.875  -0.084  -0.044  C5    SGN   77  5  polymer  1  
NTO  C15   C15   C  0  1  N  N  N  -90.332  -21.540   7.856    9.253  -1.564   0.048  C6    SGN   78  5  polymer  1  
NTO  N1F   N1F   N  0  1  N  N  N  -94.266  -23.481  11.379    8.509   4.001   0.597  N     SGN   79  5  polymer  1  
NTO  O1C   O1C   O  0  1  N  N  N  -94.578  -23.712   8.511   10.886   3.001  -0.767  O3    SGN   80  5  polymer  1  
NTO  O10   O10   O  0  1  N  N  N  -92.047  -23.776   7.066   10.620   0.266  -1.681  O4    SGN   81  5  polymer  1  
NTO  O14   O14   O  0  1  N  N  N  -91.284  -21.742  10.029    8.380   0.358   1.218  O5    SGN   82  5  polymer  1  
NTO  O16   O16   O  0  1  N  N  N  -89.207  -20.896   8.460    8.081  -2.340   0.308  O6    SGN   83  5  polymer  1  
NTO  S1G   S1G   S  0  1  N  N  N  -95.786  -22.914  11.227    8.517   5.037   1.889  S1    SGN   84  5  polymer  1  
NTO  O1H   O1H   O  0  1  N  N  N  -96.314  -23.246   9.863    7.980   4.300   2.978  O1S   SGN   85  5  polymer  1  
NTO  O1I   O1I   O  0  1  N  N  N  -95.777  -21.425  11.411    8.008   6.270   1.398  O2S   SGN   86  5  polymer  1  
NTO  O1J   O1J   O  0  1  N  N  N  -96.676  -23.519  12.271    9.972   5.305   2.248  O3S   SGN   87  5  polymer  1  
NTO  S17   S17   S  0  1  N  N  N  -88.596  -19.785   7.799    8.525  -3.793   0.387  S2    SGN   88  5  polymer  1  
NTO  O19   O19   O  0  1  N  N  N  -88.709  -19.956   6.313    7.329  -4.558   0.465  O4S   SGN   89  5  polymer  1  
NTO  O1A   O1A   O  0  1  N  N  N  -87.146  -19.712   8.173    9.534  -3.944  -0.602  O5S   SGN   90  5  polymer  1  
NTO  O18   O18   O  0  1  N  N  N  -89.290  -18.524   8.221    9.225  -3.983   1.725  O6S   SGN   91  5  polymer  1  
NTO  H5L   H5L   H  0  1  N  N  N  -83.288  -20.854  25.427  -10.161   2.398   0.345  H1    ZDO   92  1  polymer  1  
NTO  H5N1  1H5N  H  0  0  N  N  N  -82.041  -21.943  26.956  -11.944   1.151   0.515  H1M1  ZDO   93  1  polymer  1  
NTO  H5N2  2H5N  H  0  0  N  N  N  -82.952  -21.048  28.219  -11.919  -0.586   0.127  H1M2  ZDO   94  1  polymer  1  
NTO  H5N3  3H5N  H  0  0  N  N  N  -82.819  -22.838  28.304  -10.967   0.034   1.498  H1M3  ZDO   95  1  polymer  1  
NTO  HO5K  HO5K  H  0  0  N  N  N  -85.591  -18.841  26.733   -8.268   5.699  -2.602  HSC   ZDO   96  1  polymer  1  
NTO  H5F   H5F   H  0  1  N  N  N  -84.807  -21.357  23.637   -7.843   2.838  -0.450  H2    ZDO   97  1  polymer  1  
NTO  HN5G  HN5G  H  0  0  N  N  N  -86.950  -21.018  24.998   -9.315   1.777  -2.772  HN21  ZDO   98  1  polymer  1  
NTO  H59   H59   H  0  1  N  N  N  -86.092  -23.422  25.500   -8.040   0.041  -1.659  H3    ZDO   99  1  polymer  1  
NTO  HO5A  HO5A  H  0  0  N  N  N  -87.664  -22.982  24.117   -6.795   1.588  -2.804  HO3   ZDO  100  1  polymer  1  
NTO  H50   H50   H  0  1  N  N  N  -84.376  -23.820  22.955   -6.295   1.057   0.633  H4    ZDO  101  1  polymer  1  
NTO  H51   H51   H  0  1  N  N  N  -83.966  -24.374  25.939   -8.757  -0.747   0.644  H5    ZDO  102  1  polymer  1  
NTO  H531  1H53  H  0  0  N  N  N  -83.045  -26.142  24.406   -6.943  -1.439   2.227  H61   ZDO  103  1  polymer  1  
NTO  H532  2H53  H  0  0  N  N  N  -81.770  -25.232  25.317   -6.973   0.194   2.933  H62   ZDO  104  1  polymer  1  
NTO  HO57  HO57  H  0  0  N  N  N  -79.295  -26.553  23.435   -7.214  -0.413   6.161  HS3   ZDO  105  1  polymer  1  
NTO  H4F   H4F   H  0  1  N  N  N  -84.028  -25.940  22.386   -5.068  -0.282   1.576  H1    IDS  106  2  polymer  1  
NTO  H49   H49   H  0  1  N  N  N  -86.561  -27.483  23.058   -4.815  -2.727   1.322  H2    IDS  107  2  polymer  1  
NTO  H46   H46   H  0  1  N  N  N  -84.809  -27.797  20.574   -3.427  -3.568  -0.617  H3    IDS  108  2  polymer  1  
NTO  H40   H40   H  0  1  N  N  N  -87.780  -27.559  20.361   -3.280  -2.004  -2.599  H4    IDS  109  2  polymer  1  
NTO  H41   H41   H  0  1  N  N  N  -87.588  -25.900  22.043   -5.108  -0.481  -1.876  H5    IDS  110  2  polymer  1  
NTO  HO47  HO47  H  0  0  N  N  N  -86.303  -29.558  20.217   -5.718  -3.622  -0.656  HO3   IDS  111  2  polymer  1  
NTO  HO44  HO44  H  0  0  N  N  N  -89.246  -23.973  19.680   -2.912   1.116  -4.325  HO6   IDS  112  2  polymer  1  
NTO  HO4C  HO4C  H  0  0  N  N  N  -85.989  -28.241  26.141   -3.404  -3.889   3.867  HOS3  IDS  113  2  polymer  1  
NTO  HN3G  HN3G  H  0  0  N  N  N  -84.343  -26.978  15.955   -0.679  -3.965  -1.424  HN    SUS  114  3  polymer  1  
NTO  H3L   H3L   H  0  1  N  N  N  -86.237  -28.794  18.546   -1.744  -1.376  -3.145  H1    SUS  115  3  polymer  1  
NTO  H3F   H3F   H  0  1  N  N  N  -86.359  -28.314  16.046    0.682  -1.931  -3.067  H2    SUS  116  3  polymer  1  
NTO  H39   H39   H  0  1  N  N  N  -86.482  -25.399  17.013    0.229  -2.178  -0.058  H3    SUS  117  3  polymer  1  
NTO  H30   H30   H  0  1  N  N  N  -88.561  -26.999  15.466    1.851  -0.117  -1.624  H4    SUS  118  3  polymer  1  
NTO  H31   H31   H  0  1  N  N  N  -88.548  -26.123  18.404   -0.824   0.129  -0.172  H5    SUS  119  3  polymer  1  
NTO  H331  1H33  H  0  0  N  N  N  -90.775  -26.114  17.345    0.736   2.088   0.092  H6    SUS  120  3  polymer  1  
NTO  H332  2H33  H  0  0  N  N  N  -90.619  -27.540  18.464    0.798   2.225  -1.682  H6A   SUS  121  3  polymer  1  
NTO  HO3I  HO3I  H  0  0  N  N  N  -82.747  -29.013  18.721    0.895  -4.940  -5.040  HO2S  SUS  122  3  polymer  1  
NTO  HO37  HO37  H  0  0  N  N  N  -92.277  -28.167  18.130    0.126   5.507  -1.958  HO6S  SUS  123  3  polymer  1  
NTO  HO3C  HO3C  H  0  0  N  N  N  -83.864  -24.375  15.793    1.165  -4.904   1.266  HO9S  SUS  124  3  polymer  1  
NTO  H2C   H2C   H  0  1  N  N  N  -90.114  -26.000  14.675    2.801   1.406  -0.508  H1    BDP  125  4  polymer  1  
NTO  H29   H29   H  0  1  N  N  N  -90.294  -22.971  15.102    3.791   0.284   2.154  H2    BDP  126  4  polymer  1  
NTO  H26   H26   H  0  1  N  N  N  -92.096  -24.871  13.504    4.639   2.767   0.589  H3    BDP  127  4  polymer  1  
NTO  H20   H20   H  0  1  N  N  N  -90.208  -22.662  12.562    6.113   0.124   1.002  H4    BDP  128  4  polymer  1  
NTO  H21   H21   H  0  1  N  N  N  -89.943  -25.694  12.322    4.721   1.272  -1.460  H5    BDP  129  4  polymer  1  
NTO  HO2A  HO2A  H  0  0  N  N  N  -91.104  -24.309  16.842    1.835   1.475   2.270  HB    BDP  130  4  polymer  1  
NTO  HO27  HO27  H  0  0  N  N  N  -92.773  -22.706  14.635    4.881   2.834   2.868  HC    BDP  131  4  polymer  1  
NTO  HO24  HO24  H  0  0  N  N  N  -87.108  -23.346  10.838    7.555  -0.452  -2.894  H6B   BDP  132  4  polymer  1  
NTO  H1K   H1K   H  0  1  N  N  N  -92.124  -21.971  11.933    7.367   1.997   1.955  H1    SGN  133  5  polymer  1  
NTO  H1E   H1E   H  0  1  N  N  N  -93.901  -21.812  10.171    9.748   2.612   1.566  H2    SGN  134  5  polymer  1  
NTO  H1B   H1B   H  0  1  N  N  N  -92.897  -24.599   9.369    9.030   2.335  -1.390  H3    SGN  135  5  polymer  1  
NTO  H12   H12   H  0  1  N  N  N  -92.848  -21.983   7.795   10.876   0.621   0.339  H4    SGN  136  5  polymer  1  
NTO  H13   H13   H  0  1  N  N  N  -90.448  -23.387   9.077    8.104   0.046  -0.802  H5    SGN  137  5  polymer  1  
NTO  H151  1H15  H  0  0  N  N  N  -91.049  -20.770   7.536    9.700  -1.884  -0.893  H61   SGN  138  5  polymer  1  
NTO  H152  2H15  H  0  0  N  N  N  -89.971  -22.130   7.001    9.969  -1.706   0.858  H62   SGN  139  5  polymer  1  
NTO  HN1F  HN1F  H  0  0  N  N  N  -94.248  -24.465  11.199    8.161   4.296  -0.259  HN    SGN  140  5  polymer  1  
NTO  HO1C  HO1C  H  0  0  N  N  N  -95.249  -23.736   9.183   11.291   2.686  -1.586  HO3   SGN  141  5  polymer  1  
NTO  HO10  HO10  H  0  0  N  N  N  -91.981  -23.276   6.261   10.849  -0.666  -1.561  HO4   SGN  142  5  polymer  1  
NTO  HO1J  HO1J  H  0  0  N  N  N  -96.183  -23.647  13.073    9.966   5.910   3.003  HOS3  SGN  143  5  polymer  1  
NTO  HO18  HO18  H  0  0  N  N  N  -89.437  -18.542   9.159    9.502  -4.909   1.766  HOS6  SGN  144  5  polymer  1  
#   #
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
_chem_comp_bond.pdbx_aromatic_flag
_chem_comp_bond.pdbx_stereo_config
_chem_comp_bond.pdbx_ordinal
NTO  O10  C12   SING  N  N    1  
NTO  O10  HO10  SING  N  N    2  
NTO  C12  C13   SING  N  N    3  
NTO  C12  C1B   SING  N  N    4  
NTO  C12  H12   SING  N  N    5  
NTO  C13  O14   SING  N  N    6  
NTO  C13  C15   SING  N  N    7  
NTO  C13  H13   SING  N  N    8  
NTO  O14  C1K   SING  N  N    9  
NTO  C15  O16   SING  N  N   10  
NTO  C15  H151  SING  N  N   11  
NTO  C15  H152  SING  N  N   12  
NTO  O16  S17   SING  N  N   13  
NTO  S17  O18   SING  N  N   14  
NTO  S17  O19   DOUB  N  N   15  
NTO  S17  O1A   DOUB  N  N   16  
NTO  O18  HO18  SING  N  N   17  
NTO  C1B  O1C   SING  N  N   18  
NTO  C1B  C1E   SING  N  N   19  
NTO  C1B  H1B   SING  N  N   20  
NTO  O1C  HO1C  SING  N  N   21  
NTO  C1E  C1K   SING  N  N   22  
NTO  C1E  N1F   SING  N  N   23  
NTO  C1E  H1E   SING  N  N   24  
NTO  S1G  O1H   DOUB  N  N   25  
NTO  S1G  O1I   DOUB  N  N   26  
NTO  S1G  O1J   SING  N  N   27  
NTO  S1G  N1F   SING  N  N   28  
NTO  O1J  HO1J  SING  N  N   29  
NTO  C1K  O1L   SING  N  N   30  
NTO  C1K  H1K   SING  N  N   31  
NTO  O1L  C20   SING  N  N   32  
NTO  C20  C21   SING  N  N   33  
NTO  C20  C26   SING  N  N   34  
NTO  C20  H20   SING  N  N   35  
NTO  C21  O22   SING  N  N   36  
NTO  C21  C23   SING  N  N   37  
NTO  C21  H21   SING  N  N   38  
NTO  O22  C2C   SING  N  N   39  
NTO  C23  O24   SING  N  N   40  
NTO  C23  O25   DOUB  N  N   41  
NTO  O24  HO24  SING  N  N   42  
NTO  C26  O27   SING  N  N   43  
NTO  C26  C29   SING  N  N   44  
NTO  C26  H26   SING  N  N   45  
NTO  O27  HO27  SING  N  N   46  
NTO  C29  O2A   SING  N  N   47  
NTO  C29  C2C   SING  N  N   48  
NTO  C29  H29   SING  N  N   49  
NTO  O2A  HO2A  SING  N  N   50  
NTO  C2C  O2D   SING  N  N   51  
NTO  C2C  H2C   SING  N  N   52  
NTO  O2D  C30   SING  N  N   53  
NTO  C30  C31   SING  N  N   54  
NTO  C30  C39   SING  N  N   55  
NTO  C30  H30   SING  N  N   56  
NTO  C31  O32   SING  N  N   57  
NTO  C31  C33   SING  N  N   58  
NTO  C31  H31   SING  N  N   59  
NTO  O32  C3L   SING  N  N   60  
NTO  C33  O34   SING  N  N   61  
NTO  C33  H331  SING  N  N   62  
NTO  C33  H332  SING  N  N   63  
NTO  O34  S35   SING  N  N   64  
NTO  S35  O36   DOUB  N  N   65  
NTO  S35  O37   SING  N  N   66  
NTO  S35  O38   DOUB  N  N   67  
NTO  O37  HO37  SING  N  N   68  
NTO  C39  O3A   SING  N  N   69  
NTO  C39  C3F   SING  N  N   70  
NTO  C39  H39   SING  N  N   71  
NTO  O3A  S3B   SING  N  N   72  
NTO  S3B  O3C   SING  N  N   73  
NTO  S3B  O3D   DOUB  N  N   74  
NTO  S3B  O3E   DOUB  N  N   75  
NTO  O3C  HO3C  SING  N  N   76  
NTO  C3F  C3L   SING  N  N   77  
NTO  C3F  N3G   SING  N  N   78  
NTO  C3F  H3F   SING  N  N   79  
NTO  S3H  O3I   SING  N  N   80  
NTO  S3H  O3J   DOUB  N  N   81  
NTO  S3H  O3K   DOUB  N  N   82  
NTO  S3H  N3G   SING  N  N   83  
NTO  O3I  HO3I  SING  N  N   84  
NTO  C3L  O3M   SING  N  N   85  
NTO  C3L  H3L   SING  N  N   86  
NTO  O3M  C40   SING  N  N   87  
NTO  C40  C41   SING  N  N   88  
NTO  C40  C46   SING  N  N   89  
NTO  C40  H40   SING  N  N   90  
NTO  C41  O42   SING  N  N   91  
NTO  C41  C43   SING  N  N   92  
NTO  C41  H41   SING  N  N   93  
NTO  O42  C4F   SING  N  N   94  
NTO  C43  O44   SING  N  N   95  
NTO  C43  O45   DOUB  N  N   96  
NTO  O44  HO44  SING  N  N   97  
NTO  C46  O47   SING  N  N   98  
NTO  C46  C49   SING  N  N   99  
NTO  C46  H46   SING  N  N  100  
NTO  O47  HO47  SING  N  N  101  
NTO  C49  O4A   SING  N  N  102  
NTO  C49  C4F   SING  N  N  103  
NTO  C49  H49   SING  N  N  104  
NTO  O4A  S4B   SING  N  N  105  
NTO  S4B  O4C   SING  N  N  106  
NTO  S4B  O4D   DOUB  N  N  107  
NTO  S4B  O4E   DOUB  N  N  108  
NTO  O4C  HO4C  SING  N  N  109  
NTO  C4F  O4G   SING  N  N  110  
NTO  C4F  H4F   SING  N  N  111  
NTO  O4G  C50   SING  N  N  112  
NTO  C50  C51   SING  N  N  113  
NTO  C50  C59   SING  N  N  114  
NTO  C50  H50   SING  N  N  115  
NTO  C51  O52   SING  N  N  116  
NTO  C51  C53   SING  N  N  117  
NTO  C51  H51   SING  N  N  118  
NTO  O52  C5L   SING  N  N  119  
NTO  C53  O54   SING  N  N  120  
NTO  C53  H531  SING  N  N  121  
NTO  C53  H532  SING  N  N  122  
NTO  O54  S55   SING  N  N  123  
NTO  S55  O56   DOUB  N  N  124  
NTO  S55  O57   SING  N  N  125  
NTO  S55  O58   DOUB  N  N  126  
NTO  O57  HO57  SING  N  N  127  
NTO  C59  O5A   SING  N  N  128  
NTO  C59  C5F   SING  N  N  129  
NTO  C59  H59   SING  N  N  130  
NTO  O5A  HO5A  SING  N  N  131  
NTO  C5F  C5L   SING  N  N  132  
NTO  C5F  N5G   SING  N  N  133  
NTO  C5F  H5F   SING  N  N  134  
NTO  S5H  O5I   DOUB  N  N  135  
NTO  S5H  O5J   DOUB  N  N  136  
NTO  S5H  O5K   SING  N  N  137  
NTO  S5H  N5G   SING  N  N  138  
NTO  O5K  HO5K  SING  N  N  139  
NTO  C5L  O5M   SING  N  N  140  
NTO  C5L  H5L   SING  N  N  141  
NTO  O5M  C5N   SING  N  N  142  
NTO  C5N  H5N1  SING  N  N  143  
NTO  C5N  H5N2  SING  N  N  144  
NTO  C5N  H5N3  SING  N  N  145  
NTO  N5G  HN5G  SING  N  N  146  
NTO  N3G  HN3G  SING  N  N  147  
NTO  N1F  HN1F  SING  N  N  148  
#   #
loop_
_pdbx_chem_comp_descriptor.comp_id
_pdbx_chem_comp_descriptor.type
_pdbx_chem_comp_descriptor.program
_pdbx_chem_comp_descriptor.program_version
_pdbx_chem_comp_descriptor.descriptor
NTO  SMILES            ACDLabs               10.04  "O=S(=O)(O)NC5C(O)C(O)C(OC5OC1C(O)C(O)C(OC1C(=O)O)OC4C(OC(OC3C(O)C(OS(=O)(=O)O)C(OC2C(O)C(NS(=O)(=O)O)C(OC)OC2COS(=O)(=O)O)OC3C(=O)O)C(NS(=O)(=O)O)C4OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O"  
NTO  SMILES_CANONICAL  CACTVS                3.341  "CO[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](CO[S](O)(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]5N[S](O)(=O)=O)[C@H](O)[C@H]4O)C(O)=O)[C@H](O[S](O)(=O)=O)[C@H]3N[S](O)(=O)=O)[C@H](O)[C@H]2O[S](O)(=O)=O)C(O)=O)[C@H](O)[C@H]1N[S](O)(=O)=O"  
NTO  SMILES            CACTVS                3.341  "CO[CH]1O[CH](CO[S](O)(=O)=O)[CH](O[CH]2O[CH]([CH](O[CH]3O[CH](CO[S](O)(=O)=O)[CH](O[CH]4O[CH]([CH](O[CH]5O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]5N[S](O)(=O)=O)[CH](O)[CH]4O)C(O)=O)[CH](O[S](O)(=O)=O)[CH]3N[S](O)(=O)=O)[CH](O)[CH]2O[S](O)(=O)=O)C(O)=O)[CH](O)[CH]1N[S](O)(=O)=O"  
NTO  SMILES_CANONICAL  "OpenEye OEToolkits"  1.5.0  "CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O"  
NTO  SMILES            "OpenEye OEToolkits"  1.5.0  "COC1C(C(C(C(O1)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)COS(=O)(=O)O)OC4C(C(C(C(O4)C(=O)O)OC5C(C(C(C(O5)COS(=O)(=O)O)O)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O"  
NTO  InChI             InChI                 1.03   "InChI=1S/C31H53N3O49S8/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-/m1/s1"  
NTO  InChIKey          InChI                 1.03   KANJSNBRCNMZMV-ABRZTLGGSA-N  
#   #
loop_
_pdbx_chem_comp_identifier.comp_id
_pdbx_chem_comp_identifier.type
_pdbx_chem_comp_identifier.program
_pdbx_chem_comp_identifier.program_version
_pdbx_chem_comp_identifier.identifier
NTO  "SYSTEMATIC NAME"  ACDLabs               10.04  "methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranuronosyl-(1->4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1->4)-2-O-sulfo-alpha-L-idopyranuronosyl-(1->4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside"  
NTO  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.5.0  "(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxy-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-5-sulfooxy-oxan-3-yl]oxy-5-(sulfoamino)-4-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-oxane-2-carboxylic acid"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
NTO  "Create component"    2006-04-03  RCSB  
NTO  "Modify descriptor"   2011-06-04  RCSB  
NTO  "Modify synonyms"     2017-07-05  RCSB  
NTO  "Other modification"  2020-07-03  RCSB  
NTO  "Obsolete component"  2020-07-17  RCSB  
##
