data_JSG
#

_chem_comp.id                                   JSG
_chem_comp.name                                 "(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C131 H240 N2 O63 P4"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        ?
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2018-09-19
_chem_comp.pdbx_modified_date                   2019-03-29
_chem_comp.pdbx_ambiguous_flag                  N
_chem_comp.pdbx_release_status                  REL
_chem_comp.pdbx_replaced_by                     ?
_chem_comp.pdbx_replaces                        ?
_chem_comp.formula_weight                       2975.178
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    JSG
_chem_comp.pdbx_model_coordinates_details       ?
_chem_comp.pdbx_model_coordinates_missing_flag  N
_chem_comp.pdbx_ideal_coordinates_details       Corina
_chem_comp.pdbx_ideal_coordinates_missing_flag  N
_chem_comp.pdbx_model_coordinates_db_code       6MHU
_chem_comp.pdbx_subcomponent_list               ?
_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
JSG  C4    C1    C  0  1  N  N  S  115.648  107.076  105.787   -4.090    1.675   -1.375  C4    JSG    1  
JSG  C5    C2    C  0  1  N  N  R  115.133  107.888  104.590   -3.192    0.678   -0.638  C5    JSG    2  
JSG  C6    C3    C  0  1  N  N  N  113.618  107.627  104.402   -3.245   -0.677   -1.346  C6    JSG    3  
JSG  C7    C4    C  0  1  N  N  N  115.084  109.846  109.474   -1.691    5.769   -0.515  C7    JSG    4  
JSG  C8    C5    C  0  1  N  N  N  115.565  110.644  110.691   -1.538    7.069    0.232  C8    JSG    5  
JSG  N2    N1    N  0  1  N  N  N  115.890  109.834  108.399   -2.394    4.757    0.031  N2    JSG    6  
JSG  C3    C6    C  0  1  N  N  R  116.460  107.971  106.747   -3.984    3.044   -0.697  C3    JSG    7  
JSG  C1    C7    C  0  1  N  N  R  115.312  110.002  105.946   -1.680    2.416    0.029  C1    JSG    8  
JSG  C2    C8    C  0  1  N  N  R  115.478  109.078  107.201   -2.517    3.483   -0.682  C2    JSG    9  
JSG  CAL   C9    C  0  1  N  N  R  110.644  113.615  107.175    3.161    3.566    2.378  CAL   JSG   10  
JSG  CAN   C10   C  0  1  N  N  R  110.912  113.753  108.665    4.262    2.504    2.438  CAN   JSG   11  
JSG  CAP   C11   C  0  1  N  N  R  112.395  113.971  108.810    4.380    1.824    1.070  CAP   JSG   12  
JSG  CAR   C12   C  0  1  N  N  S  113.096  112.672  108.340    3.020    1.230    0.688  CAR   JSG   13  
JSG  CAT   C13   C  0  1  N  N  R  112.709  112.316  106.935    1.967    2.341    0.696  CAT   JSG   14  
JSG  CAV   C14   C  0  1  N  N  N  113.128  110.860  106.804    0.595    1.746    0.374  CAV   JSG   15  
JSG  CAX   C15   C  0  1  N  N  N  112.206  105.858  102.789   -3.529   -3.259   -2.194  CAX   JSG   16  
JSG  CBA   C16   C  0  1  N  N  R  112.747  107.157  102.146   -2.849   -2.994   -0.876  CBA   JSG   17  
JSG  CBB   C17   C  0  1  N  N  N  113.963  106.875  101.251   -3.229   -4.089    0.124  CBB   JSG   18  
JSG  CBC   C18   C  0  1  N  N  R  113.970  107.966  100.174   -2.488   -3.845    1.442  CBC   JSG   19  
JSG  CBE   C19   C  0  1  N  N  R  112.895  107.496   99.181   -0.981   -3.807    1.168  CBE   JSG   20  
JSG  CBG   C20   C  0  1  N  N  R  111.501  107.557   99.952   -0.688   -2.723    0.127  CBG   JSG   21  
JSG  CBI   C21   C  0  1  N  N  R  110.528  106.354   99.792    0.808   -2.718   -0.197  CBI   JSG   22  
JSG  CBK   C22   C  0  1  N  N  N  109.708  106.461   98.509    1.092   -1.672   -1.276  CBK   JSG   23  
JSG  CBM   C23   C  0  1  N  N  N  115.963  109.639  101.548   -3.226   -3.389    4.164  CBM   JSG   24  
JSG  CBP   C24   C  0  1  N  N  R  115.919  109.462  100.034   -3.740   -4.554    3.359  CBP   JSG   25  
JSG  CBQ   C25   C  0  1  N  N  N  115.151  110.651   99.454   -3.970   -5.752    4.284  CBQ   JSG   26  
JSG  CBR   C26   C  0  1  N  N  R  115.414  110.752   97.962   -4.549   -6.913    3.470  CBR   JSG   27  
JSG  CBT   C27   C  0  1  N  N  R  116.907  110.923   97.752   -5.840   -6.449    2.787  CBT   JSG   28  
JSG  CBV   C28   C  0  1  N  N  R  117.627  109.694   98.290   -5.538   -5.225    1.920  CBV   JSG   29  
JSG  CBX   C29   C  0  1  N  N  R  119.147  109.869   98.201   -6.833   -4.719    1.282  CBX   JSG   30  
JSG  CBZ   C30   C  0  1  N  N  N  119.589  110.172   96.769   -6.531   -3.495    0.415  CBZ   JSG   31  
JSG  CCB   C31   C  0  1  N  N  S  113.166  105.939   97.285    0.731   -5.484    1.143  CCB   JSG   32  
JSG  CCC   C32   C  0  1  N  N  S  114.538  105.736   96.611    1.137   -6.791    0.456  CCC   JSG   33  
JSG  CCD   C33   C  0  1  N  N  R  114.715  106.774   95.526    0.134   -7.887    0.829  CCD   JSG   34  
JSG  CCE   C34   C  0  1  N  N  R  113.524  106.803   94.528    0.086   -8.022    2.354  CCE   JSG   35  
JSG  CCF   C35   C  0  1  N  N  R  112.149  106.759   95.222   -0.279   -6.668    2.967  CCF   JSG   36  
JSG  CCG   C36   C  0  1  N  N  S  111.333  105.468   94.919   -0.271   -6.780    4.493  CCG   JSG   37  
JSG  CCH   C37   C  0  1  N  N  N  111.466  105.037   93.451   -0.652   -5.431    5.106  CCH   JSG   38  
JSG  CCO   C38   C  0  1  N  N  R  116.859  107.571   94.893   -0.283   -9.568   -0.828  CCO   JSG   39  
JSG  CCP   C39   C  0  1  N  N  S  116.910  108.296   93.562   -0.370  -11.096   -0.814  CCP   JSG   40  
JSG  CCQ   C40   C  0  1  N  N  R  117.387  107.302   92.498    1.028  -11.682   -1.033  CCQ   JSG   41  
JSG  CCR   C41   C  0  1  N  N  S  118.772  106.733   92.871    1.594  -11.144   -2.351  CCR   JSG   42  
JSG  CCS   C42   C  0  1  N  N  R  118.677  106.075   94.247    1.605   -9.614   -2.306  CCS   JSG   43  
JSG  CCT   C43   C  0  1  N  N  S  120.053  105.566   94.690    2.113   -9.068   -3.642  CCT   JSG   44  
JSG  CCU   C44   C  0  1  N  N  N  119.988  104.060   94.958    2.030   -7.540   -3.633  CCU   JSG   45  
JSG  CDB   C45   C  0  1  N  N  S  118.973  102.841   96.704    2.553   -5.601   -4.941  CDB   JSG   46  
JSG  CDC   C46   C  0  1  N  N  S  117.646  103.605   96.867    2.863   -5.183   -6.381  CDC   JSG   47  
JSG  CDD   C47   C  0  1  N  N  S  117.164  103.652   98.324    4.286   -5.626   -6.738  CDD   JSG   48  
JSG  CDE   C48   C  0  1  N  N  S  118.326  104.010   99.253    5.266   -5.015   -5.732  CDE   JSG   49  
JSG  CDF   C49   C  0  1  N  N  R  119.406  102.914   99.155    4.864   -5.439   -4.317  CDF   JSG   50  
JSG  CDG   C50   C  0  1  N  N  S  119.336  101.970  100.372    5.802   -4.785   -3.302  CDG   JSG   51  
JSG  CDH   C51   C  0  1  N  N  N  119.457  102.763  101.673    5.459   -5.280   -1.896  CDH   JSG   52  
JSG  CDO   C52   C  0  1  N  N  N  109.482  114.528  110.443    5.856    3.357    4.071  CDO   JSG   53  
JSG  CDP   C53   C  0  1  N  N  N  108.623  115.641  111.066    7.168    4.011    4.423  CDP   JSG   54  
JSG  CDQ   C54   C  0  1  N  N  R  109.388  116.483  112.093    7.281    4.140    5.943  CDQ   JSG   55  
JSG  CDR   C55   C  0  1  N  N  N  109.804  115.647  113.303    8.663    4.688    6.307  CDR   JSG   56  
JSG  CDS   C56   C  0  1  N  N  N  108.641  115.392  114.263    8.822    4.700    7.828  CDS   JSG   57  
JSG  CDT   C57   C  0  1  N  N  N  109.098  114.292  115.225   10.204    5.248    8.192  CDT   JSG   58  
JSG  CDU   C58   C  0  1  N  N  N  108.275  114.261  116.510   10.363    5.260    9.713  CDU   JSG   59  
JSG  CDV   C59   C  0  1  N  N  N  108.278  115.636  117.153   11.745    5.809   10.077  CDV   JSG   60  
JSG  CDW   C60   C  0  1  N  N  N  107.975  115.557  118.652   11.905    5.821   11.598  CDW   JSG   61  
JSG  CDX   C61   C  0  1  N  N  N  108.793  114.477  119.351   13.286    6.369   11.962  CDX   JSG   62  
JSG  CDY   C62   C  0  1  N  N  N  108.240  114.285  120.760   13.446    6.381   13.483  CDY   JSG   63  
JSG  CDZ   C63   C  0  1  N  N  N  108.828  115.337  121.698   14.827    6.929   13.847  CDZ   JSG   64  
JSG  CEA   C64   C  0  1  N  N  N  108.415  115.009  123.130   14.987    6.941   15.368  CEA   JSG   65  
JSG  CEB   C65   C  0  1  N  N  N  109.395  115.662  124.100   16.368    7.490   15.732  CEB   JSG   66  
JSG  CEE   C66   C  0  1  N  N  N  113.837  114.955  110.288    6.440    0.877    0.335  CEE   JSG   67  
JSG  CEF   C67   C  0  1  N  N  N  114.583  114.847  111.605    7.481   -0.213    0.308  CEF   JSG   68  
JSG  CEG   C68   C  0  1  N  N  R  113.895  115.652  112.685    8.707    0.272   -0.468  CEG   JSG   69  
JSG  CEH   C69   C  0  1  N  N  N  114.462  115.204  114.025    9.776   -0.822   -0.468  CEH   JSG   70  
JSG  CEI   C70   C  0  1  N  N  N  113.542  114.181  114.671   11.047   -0.293   -1.135  CEI   JSG   71  
JSG  CEJ   C71   C  0  1  N  N  N  113.008  114.800  115.953   12.117   -1.387   -1.134  CEJ   JSG   72  
JSG  CEK   C72   C  0  1  N  N  N  113.142  113.831  117.121   13.388   -0.858   -1.801  CEK   JSG   73  
JSG  CEL   C73   C  0  1  N  N  N  113.145  114.636  118.417   14.458   -1.952   -1.800  CEL   JSG   74  
JSG  CEM   C74   C  0  1  N  N  N  113.025  113.702  119.612   15.729   -1.423   -2.467  CEM   JSG   75  
JSG  CEN   C75   C  0  1  N  N  N  113.119  114.532  120.885   16.799   -2.517   -2.466  CEN   JSG   76  
JSG  CEO   C76   C  0  1  N  N  N  112.990  113.607  122.088   18.070   -1.988   -3.133  CEO   JSG   77  
JSG  CEP   C77   C  0  1  N  N  N  113.467  114.335  123.343   19.139   -3.082   -3.133  CEP   JSG   78  
JSG  CEQ   C78   C  0  1  N  N  N  113.022  113.587  124.602   20.411   -2.553   -3.800  CEQ   JSG   79  
JSG  CER   C79   C  0  1  N  N  N  113.425  112.112  124.541   21.480   -3.647   -3.799  CER   JSG   80  
JSG  CEW   C80   C  0  1  N  N  R  115.157  109.972  112.027   -0.948    8.128   -0.701  CEW   JSG   81  
JSG  CEX   C81   C  0  1  N  N  N  115.785  110.711  113.218   -0.861    9.466    0.036  CEX   JSG   82  
JSG  CEY   C82   C  0  1  N  N  N  115.528  109.954  114.523   -0.388   10.552   -0.933  CEY   JSG   83  
JSG  CEZ   C83   C  0  1  N  N  N  115.669  110.934  115.687   -0.301   11.890   -0.196  CEZ   JSG   84  
JSG  CFA   C84   C  0  1  N  N  N  115.661  110.193  117.022    0.172   12.976   -1.165  CFA   JSG   85  
JSG  CFB   C85   C  0  1  N  N  N  115.598  111.219  118.147    0.260   14.314   -0.428  CFB   JSG   86  
JSG  CFC   C86   C  0  1  N  N  N  115.586  110.544  119.516    0.732   15.399   -1.397  CFC   JSG   87  
JSG  CFD   C87   C  0  1  N  N  N  115.965  111.595  120.556    0.820   16.737   -0.660  CFD   JSG   88  
JSG  CFE   C88   C  0  1  N  N  N  116.570  110.950  121.804    1.292   17.823   -1.629  CFE   JSG   89  
JSG  CFF   C89   C  0  1  N  N  N  116.745  112.029  122.870    1.380   19.161   -0.892  CFF   JSG   90  
JSG  CFG   C90   C  0  1  N  N  N  117.915  111.714  123.796    1.852   20.247   -1.861  CFG   JSG   91  
JSG  CFH   C91   C  0  1  N  N  N  119.227  112.042  123.089    1.940   21.585   -1.124  CFH   JSG   92  
JSG  CFK   C92   C  0  1  N  N  N  116.449  106.512  108.781   -6.057    4.159   -1.068  CFK   JSG   93  
JSG  CFL   C93   C  0  1  N  N  N  116.868  107.013  110.151   -6.939    5.147   -1.788  CFL   JSG   94  
JSG  CFM   C94   C  0  1  N  N  R  116.844  105.992  111.278   -8.343    5.116   -1.179  CFM   JSG   95  
JSG  CFN   C95   C  0  1  N  N  N  117.121  106.832  112.508   -9.203    6.205   -1.824  CFN   JSG   96  
JSG  CFO   C96   C  0  1  N  N  N  118.330  106.307  113.266  -10.565    6.256   -1.131  CFO   JSG   97  
JSG  CFP   C97   C  0  1  N  N  N  118.304  106.916  114.663  -11.425    7.345   -1.776  CFP   JSG   98  
JSG  CFQ   C98   C  0  1  N  N  N  116.959  106.600  115.335  -12.788    7.396   -1.082  CFQ   JSG   99  
JSG  CFR   C99   C  0  1  N  N  N  117.193  105.989  116.704  -13.648    8.485   -1.728  CFR   JSG  100  
JSG  CFS   C100  C  0  1  N  N  N  117.994  106.990  117.524  -15.010    8.536   -1.034  CFS   JSG  101  
JSG  CFT   C101  C  0  1  N  N  N  119.028  106.241  118.340  -15.870    9.625   -1.679  CFT   JSG  102  
JSG  CFU   C102  C  0  1  N  N  N  118.286  105.368  119.338  -17.233    9.677   -0.985  CFU   JSG  103  
JSG  CFV   C103  C  0  1  N  N  N  117.671  106.270  120.391  -18.093   10.765   -1.631  CFV   JSG  104  
JSG  CFW   C104  C  0  1  N  N  N  118.753  106.692  121.365  -19.456   10.817   -0.937  CFW   JSG  105  
JSG  CFX   C105  C  0  1  N  N  N  118.134  107.654  122.356  -20.316   11.905   -1.582  CFX   JSG  106  
JSG  CGB   C106  C  0  1  N  N  N  112.827  110.846  112.174    0.761    8.059   -2.361  CGB   JSG  107  
JSG  CGC   C107  C  0  1  N  N  N  111.371  110.422  112.253    2.151    7.728   -2.840  CGC   JSG  108  
JSG  CGD   C108  C  0  1  N  N  N  110.761  111.077  113.488    2.298    8.144   -4.305  CGD   JSG  109  
JSG  CGE   C109  C  0  1  N  N  N  111.235  110.314  114.717    3.665    7.699   -4.827  CGE   JSG  110  
JSG  CGF   C110  C  0  1  N  N  N  110.690  110.961  115.981    3.812    8.116   -6.292  CGF   JSG  111  
JSG  CGG   C111  C  0  1  N  N  N  109.956  109.906  116.796    5.179    7.671   -6.814  CGG   JSG  112  
JSG  CGH   C112  C  0  1  N  N  N  109.459  110.533  118.089    5.326    8.087   -8.279  CGH   JSG  113  
JSG  CGI   C113  C  0  1  N  N  N  110.627  110.662  119.056    6.694    7.642   -8.802  CGI   JSG  114  
JSG  CGJ   C114  C  0  1  N  N  N  110.063  110.769  120.467    6.840    8.058  -10.267  CGJ   JSG  115  
JSG  CGK   C115  C  0  1  N  N  N  111.148  110.446  121.489    8.208    7.614  -10.789  CGK   JSG  116  
JSG  CGL   C116  C  0  1  N  N  N  110.533  110.396  122.883    8.354    8.030  -12.254  CGL   JSG  117  
JSG  CGM   C117  C  0  1  N  N  N  109.480  109.289  122.943    9.722    7.585  -12.776  CGM   JSG  118  
JSG  CGN   C118  C  0  1  N  N  N  114.515  105.915  111.996   -9.826    3.376   -0.508  CGN   JSG  119  
JSG  CGP   C119  C  0  1  N  N  N  113.902  105.201  113.199  -10.493    2.037   -0.690  CGP   JSG  120  
JSG  CGQ   C120  C  0  1  N  N  N  112.471  105.709  113.377  -11.443    1.776    0.480  CGQ   JSG  121  
JSG  CGR   C121  C  0  1  N  N  N  112.166  105.921  114.861  -12.120    0.416    0.295  CGR   JSG  122  
JSG  CGS   C122  C  0  1  N  N  N  113.205  106.846  115.505  -13.070    0.156    1.465  CGS   JSG  123  
JSG  CGT   C123  C  0  1  N  N  N  112.667  107.372  116.838  -13.746   -1.204    1.280  CGT   JSG  124  
JSG  CGU   C124  C  0  1  N  N  N  113.721  107.231  117.939  -14.697   -1.464    2.451  CGU   JSG  125  
JSG  CGV   C125  C  0  1  N  N  N  113.025  107.228  119.302  -15.373   -2.824    2.265  CGV   JSG  126  
JSG  CGW   C126  C  0  1  N  N  N  114.032  106.944  120.407  -16.324   -3.084    3.436  CGW   JSG  127  
JSG  CGX   C127  C  0  1  N  N  N  113.369  106.049  121.445  -17.000   -4.444    3.251  CGX   JSG  128  
JSG  CGY   C128  C  0  1  N  N  N  113.118  106.854  122.714  -17.951   -4.705    4.421  CGY   JSG  129  
JSG  CGZ   C129  C  0  1  N  N  N  114.422  106.990  123.489  -18.627   -6.064    4.236  CGZ   JSG  130  
JSG  CHA   C130  C  0  1  N  N  N  114.124  107.026  124.988  -19.577   -6.325    5.406  CHA   JSG  131  
JSG  CHB   C131  C  0  1  N  N  N  114.248  108.459  125.504  -20.254   -7.685    5.221  CHB   JSG  132  
JSG  NAO   N2    N  0  1  N  N  N  110.122  114.819  109.299    5.537    3.139    2.780  NAO   JSG  133  
JSG  O1    O1    O  0  1  N  N  N  114.019  110.649  105.726   -0.302    2.792   -0.003  O1    JSG  134  
JSG  O3    O2    O  0  1  N  N  N  117.099  107.171  107.782   -4.774    4.014   -1.434  O3    JSG  135  
JSG  O4    O3    O  0  1  N  N  N  116.418  105.946  105.343   -5.444    1.223   -1.331  O4    JSG  136  
JSG  O5    O4    O  0  1  N  N  N  115.615  109.266  104.723   -1.847    1.162   -0.635  O5    JSG  137  
JSG  O6    O5    O  0  1  N  N  N  113.115  108.148  103.160   -3.265   -1.723   -0.372  O6    JSG  138  
JSG  O7    O6    O  0  1  N  N  N  114.021  109.231  109.494   -1.182    5.635   -1.607  O7    JSG  139  
JSG  OAM   O7    O  0  1  N  N  N  111.209  114.743  106.495    3.517    4.569    1.424  OAM   JSG  140  
JSG  OAQ   O8    O  0  1  N  N  N  112.680  114.254  110.192    5.371    0.764    1.138  OAQ   JSG  141  
JSG  OAS   O9    O  0  1  N  N  N  114.519  112.752  108.339    3.100    0.655   -0.617  OAS   JSG  142  
JSG  OAU   O10   O  0  1  N  N  N  111.277  112.381  106.754    1.931    2.952    1.987  OAU   JSG  143  
JSG  OAY   O11   O  0  1  N  N  N  111.055  105.897  103.275   -3.386   -4.451   -2.796  OAY   JSG  144  
JSG  OAZ   O12   O  0  1  N  N  N  112.939  104.847  102.740   -4.203   -2.399   -2.710  OAZ   JSG  145  
JSG  OBD   O13   O  0  1  N  N  N  115.299  108.175   99.608   -2.781   -4.902    2.358  OBD   JSG  146  
JSG  OBF   O14   O  0  1  N  N  N  113.266  106.170   98.733   -0.554   -5.076    0.669  OBF   JSG  147  
JSG  OBH   O15   O  0  1  N  N  N  111.731  107.884  101.378   -1.432   -2.992   -1.062  OBH   JSG  148  
JSG  OBJ   O16   O  0  1  N  N  N  111.240  105.112   99.825    1.550   -2.400    0.982  OBJ   JSG  149  
JSG  OBL   O17   O  0  1  N  N  N  109.261  105.154   98.154    2.484   -1.686   -1.598  OBL   JSG  150  
JSG  OBN   O18   O  0  1  N  N  N  116.930  109.101  102.125   -3.967   -2.884    5.163  OBN   JSG  151  
JSG  OBO   O19   O  0  1  N  N  N  115.095  110.368  102.080   -2.147   -2.908    3.910  OBO   JSG  152  
JSG  OBS   O20   O  0  1  N  N  N  114.721  111.890   97.429   -4.833   -8.011    4.338  OBS   JSG  153  
JSG  OBU   O21   O  0  1  N  N  N  117.337  112.083   98.475   -6.808   -6.104    3.780  OBU   JSG  154  
JSG  OBW   O22   O  0  1  N  N  N  117.306  109.564   99.670   -4.973   -4.194    2.733  OBW   JSG  155  
JSG  OBY   O23   O  0  1  N  N  N  119.548  110.943   99.056   -7.398   -5.750    0.470  OBY   JSG  156  
JSG  OCA   O24   O  0  1  N  N  N  120.953  110.607   96.793   -7.754   -2.953   -0.087  OCA   JSG  157  
JSG  OCI   O25   O  0  1  N  N  N  114.548  104.451   95.988    2.445   -7.171    0.888  OCI   JSG  158  
JSG  OCJ   O26   O  0  1  N  N  N  115.927  106.490   94.803    0.545   -9.127    0.250  OCJ   JSG  159  
JSG  OCK   O27   O  0  1  N  N  N  113.623  107.986   93.680   -0.899   -8.992    2.716  OCK   JSG  160  
JSG  OCL   O28   O  0  1  N  N  N  112.359  106.975   96.640    0.676   -5.687    2.556  OCL   JSG  161  
JSG  OCM   O29   O  0  1  N  N  N  109.954  105.690   95.227    1.036   -7.152    4.936  OCM   JSG  162  
JSG  OCN   O30   O  0  1  N  N  N  110.861  106.014   92.601   -0.727   -5.557    6.527  OCN   JSG  163  
JSG  OCV   O31   O  0  1  N  N  N  117.808  109.407   93.654   -1.240  -11.535   -1.859  OCV   JSG  164  
JSG  OCW   O32   O  0  1  N  N  N  117.441  107.956   91.220    0.946  -13.107   -1.094  OCW   JSG  165  
JSG  OCX   O33   O  0  1  N  N  N  119.215  105.769   91.891    2.927  -11.626   -2.530  OCX   JSG  166  
JSG  OCY   O34   O  0  1  N  N  N  118.180  107.042   95.212    0.280   -9.136   -2.069  OCY   JSG  167  
JSG  OCZ   O35   O  0  1  N  N  N  120.440  106.230   95.890    1.307   -9.583   -4.704  OCZ   JSG  168  
JSG  ODA   O36   O  0  1  N  N  N  120.015  103.787   96.371    2.604   -7.025   -4.836  ODA   JSG  169  
JSG  ODI   O37   O  0  1  N  N  N  116.608  103.006   96.071    2.761   -3.763   -6.499  ODI   JSG  170  
JSG  ODJ   O38   O  0  1  N  N  N  116.588  102.385   98.671    4.610   -5.176   -8.055  ODJ   JSG  171  
JSG  ODK   O39   O  0  1  N  N  N  118.867  105.286   98.857    6.588   -5.478   -6.013  ODK   JSG  172  
JSG  ODL   O40   O  0  1  N  N  N  119.247  102.116   97.936    3.520   -5.024   -4.061  ODL   JSG  173  
JSG  ODM   O41   O  0  1  N  N  N  120.383  100.997  100.312    5.649   -3.365   -3.357  ODM   JSG  174  
JSG  ODN   O42   O  0  1  N  N  N  119.329  101.869  102.774    6.438   -4.805   -0.970  ODN   JSG  175  
JSG  OEC   O43   O  0  1  N  N  N  109.521  113.409  110.948    5.088    3.027    4.950  OEC   JSG  176  
JSG  OED   O44   O  0  1  N  N  N  110.554  117.035  111.480    6.273    5.032    6.422  OED   JSG  177  
JSG  OES   O45   O  0  1  N  N  N  114.333  115.562  109.351    6.568    1.852   -0.367  OES   JSG  178  
JSG  OET   O46   O  0  1  N  N  N  114.200  117.028  112.481    8.331    0.571   -1.815  OET   JSG  179  
JSG  OFJ   O47   O  0  1  N  N  N  113.726  109.810  112.216    0.381    7.718   -1.119  OFJ   JSG  180  
JSG  OFY   O48   O  0  1  N  N  N  115.669  105.572  108.640   -6.506    3.498   -0.162  OFY   JSG  181  
JSG  OFZ   O49   O  0  1  N  N  N  115.592  105.288  111.430   -8.945    3.817   -1.420  OFZ   JSG  182  
JSG  OGA   O50   O  0  1  N  N  N  113.074  112.048  112.137   -0.011    8.630   -3.093  OGA   JSG  183  
JSG  OGO   O51   O  0  1  N  N  N  113.972  106.929  111.559  -10.085    4.053    0.459  OGO   JSG  184  
JSG  OHD   O52   O  0  1  N  N  N  114.522  104.705  106.117   -7.819    0.548   -2.235  OHD   JSG  185  
JSG  OHE   O53   O  0  1  N  N  N  115.689  104.040  104.035   -6.306    2.091   -3.539  OHE   JSG  186  
JSG  OHF   O54   O  0  1  N  N  N  116.789  103.727  106.248   -5.655   -0.345   -3.431  OHF   JSG  187  
JSG  OHH   O55   O  0  1  N  N  N  111.354  116.526  104.916    1.462    6.207    1.442  OHH   JSG  188  
JSG  OHI   O56   O  0  1  N  N  N  110.642  114.261  104.218    3.497    6.635    2.872  OHI   JSG  189  
JSG  OHJ   O57   O  0  1  N  N  N  109.167  115.642  105.680    3.743    6.972    0.383  OHJ   JSG  190  
JSG  OHL   O58   O  0  1  N  N  N  119.348  106.925   89.805    2.498  -13.720   -3.873  OHL   JSG  191  
JSG  OHM   O59   O  0  1  N  N  N  121.233  107.007   91.410    3.238  -11.666   -5.141  OHM   JSG  192  
JSG  OHN   O60   O  0  1  N  N  N  120.704  104.893   90.210    4.901  -12.997   -3.598  OHN   JSG  193  
JSG  OHP   O61   O  0  1  N  N  N  113.404  109.743   95.455   -1.869  -11.245    3.663  OHP   JSG  194  
JSG  OHQ   O62   O  0  1  N  N  N  114.122  110.255   93.161    0.516  -11.078    2.852  OHQ   JSG  195  
JSG  OHR   O63   O  0  1  N  N  N  111.781  109.588   93.604   -0.049   -9.922    5.024  OHR   JSG  196  
JSG  PHC   P1    P  0  1  N  N  N  115.813  104.465  105.436   -6.306    0.905   -2.653  PHC   JSG  197  
JSG  PHG   P2    P  0  1  N  N  N  110.520  115.338  105.203    3.064    6.107    1.559  PHG   JSG  198  
JSG  PHK   P3    P  0  1  N  N  N  120.230  106.180   90.731    3.372  -12.528   -3.787  PHK   JSG  199  
JSG  PHO   P4    P  0  1  N  N  N  113.188  109.512   94.007   -0.552  -10.326    3.549  PHO   JSG  200  
JSG  H1    H1    H  0  1  N  N  N  114.771  106.710  106.341   -3.767    1.757   -2.413  H1    JSG  201  
JSG  H2    H2    H  0  1  N  N  N  115.624  107.464  103.702   -3.540    0.566    0.389  H2    JSG  202  
JSG  H3    H3    H  0  1  N  N  N  113.073  108.104  105.230   -4.146   -0.733   -1.957  H3    JSG  203  
JSG  H4    H4    H  0  1  N  N  N  113.442  106.541  104.425   -2.367   -0.789   -1.982  H4    JSG  204  
JSG  H5    H5    H  0  1  N  N  N  116.662  110.722  110.653   -2.514    7.401    0.587  H5    JSG  205  
JSG  H6    H6    H  0  1  N  N  N  115.124  111.651  110.651   -0.873    6.923    1.083  H6    JSG  206  
JSG  H7    H7    H  0  1  N  N  N  116.758  110.331  108.411   -2.818    4.872    0.895  H7    JSG  207  
JSG  H8    H8    H  0  1  N  N  N  117.246  108.458  106.152   -4.354    2.973    0.326  H8    JSG  208  
JSG  H9    H9    H  0  1  N  N  N  116.065  110.797  106.048   -2.009    2.327    1.064  H9    JSG  209  
JSG  H10   H10   H  0  1  N  N  N  114.504  108.605  107.398   -2.162    3.602   -1.706  H10   JSG  210  
JSG  H11   H11   H  0  1  N  N  N  109.559  113.565  107.004    3.043    4.023    3.360  H11   JSG  211  
JSG  H12   H12   H  0  1  N  N  N  110.658  112.796  109.145    4.010    1.760    3.194  H12   JSG  212  
JSG  H13   H13   H  0  1  N  N  N  112.713  114.806  108.168    4.682    2.558    0.323  H13   JSG  213  
JSG  H14   H14   H  0  1  N  N  N  112.776  111.857  109.006    2.743    0.461    1.409  H14   JSG  214  
JSG  H15   H15   H  0  1  N  N  N  113.244  112.943  106.206    2.223    3.090   -0.054  H15   JSG  215  
JSG  H16   H16   H  0  1  N  N  N  112.229  110.247  106.644    0.691    1.036   -0.448  H16   JSG  216  
JSG  H17   H17   H  0  1  N  N  N  113.622  110.550  107.736    0.206    1.233    1.253  H17   JSG  217  
JSG  H18   H18   H  0  1  N  N  N  113.871  105.882  100.786   -4.305   -4.063    0.301  H18   JSG  218  
JSG  H19   H19   H  0  1  N  N  N  114.889  106.919  101.843   -2.950   -5.062   -0.278  H19   JSG  219  
JSG  H20   H20   H  0  1  N  N  N  113.624  108.903  100.634   -2.805   -2.894    1.869  H20   JSG  220  
JSG  H21   H21   H  0  1  N  N  N  112.856  108.193   98.331   -0.448   -3.579    2.091  H21   JSG  221  
JSG  H22   H22   H  0  1  N  N  N  110.973  108.420   99.520   -0.976   -1.750    0.525  H22   JSG  222  
JSG  H23   H23   H  0  1  N  N  N  109.827  106.385  100.639    1.104   -3.703   -0.558  H23   JSG  223  
JSG  H24   H24   H  0  1  N  N  N  110.332  106.873   97.702    0.511   -1.903   -2.169  H24   JSG  224  
JSG  H25   H25   H  0  1  N  N  N  108.842  107.118   98.675    0.815   -0.685   -0.907  H25   JSG  225  
JSG  H26   H26   H  0  1  N  N  N  115.483  111.576   99.947   -3.022   -6.056    4.729  H26   JSG  226  
JSG  H27   H27   H  0  1  N  N  N  114.074  110.510   99.627   -4.670   -5.474    5.073  H27   JSG  227  
JSG  H28   H28   H  0  1  N  N  N  115.078  109.828   97.468   -3.828   -7.223    2.714  H28   JSG  228  
JSG  H29   H29   H  0  1  N  N  N  117.118  111.032   96.678   -6.229   -7.252    2.161  H29   JSG  229  
JSG  H30   H30   H  0  1  N  N  N  117.322  108.803   97.722   -4.830   -5.499    1.138  H30   JSG  230  
JSG  H31   H31   H  0  1  N  N  N  119.626  108.933   98.525   -7.541   -4.444    2.065  H31   JSG  231  
JSG  H32   H32   H  0  1  N  N  N  118.955  110.965   96.346   -6.020   -2.742    1.015  H32   JSG  232  
JSG  H33   H33   H  0  1  N  N  N  119.501  109.264   96.154   -5.894   -3.789   -0.419  H33   JSG  233  
JSG  H34   H34   H  0  1  N  N  N  112.625  104.990   97.155    1.465   -4.711    0.915  H34   JSG  234  
JSG  H35   H35   H  0  1  N  N  N  115.339  105.827   97.360    1.137   -6.649   -0.625  H35   JSG  235  
JSG  H36   H36   H  0  1  N  N  N  114.790  107.765   95.997   -0.854   -7.620    0.455  H36   JSG  236  
JSG  H37   H37   H  0  1  N  N  N  113.604  105.908   93.893    1.062   -8.338    2.723  H37   JSG  237  
JSG  H38   H38   H  0  1  N  N  N  111.564  107.604   94.831   -1.272   -6.372    2.630  H38   JSG  238  
JSG  H39   H39   H  0  1  N  N  N  111.728  104.660   95.552   -0.989   -7.537    4.806  H39   JSG  239  
JSG  H40   H40   H  0  1  N  N  N  110.964  104.068   93.308    0.102   -4.688    4.846  H40   JSG  240  
JSG  H41   H41   H  0  1  N  N  N  112.531  104.940   93.194   -1.621   -5.116    4.717  H41   JSG  241  
JSG  H42   H42   H  0  1  N  N  N  116.544  108.279   95.674   -1.282   -9.146   -0.715  H42   JSG  242  
JSG  H43   H43   H  0  1  N  N  N  115.899  108.642   93.300   -0.759  -11.430    0.148  H43   JSG  243  
JSG  H44   H44   H  0  1  N  N  N  116.671  106.468   92.457    1.680  -11.388   -0.209  H44   JSG  244  
JSG  H45   H45   H  0  1  N  N  N  119.489  107.566   92.927    0.970  -11.480   -3.179  H45   JSG  245  
JSG  H46   H46   H  0  1  N  N  N  117.987  105.221   94.185    2.262   -9.279   -1.503  H46   JSG  246  
JSG  H47   H47   H  0  1  N  N  N  120.782  105.758   93.889    3.148   -9.375   -3.790  H47   JSG  247  
JSG  H48   H48   H  0  1  N  N  N  119.057  103.658   94.532    0.986   -7.234   -3.568  H48   JSG  248  
JSG  H49   H49   H  0  1  N  N  N  120.850  103.572   94.481    2.577   -7.152   -2.774  H49   JSG  249  
JSG  H50   H50   H  0  1  N  N  N  118.856  102.123   95.879    1.558   -5.251   -4.667  H50   JSG  250  
JSG  H51   H51   H  0  1  N  N  N  117.808  104.640   96.530    2.153   -5.658   -7.058  H51   JSG  251  
JSG  H52   H52   H  0  1  N  N  N  116.400  104.439   98.408    4.350   -6.713   -6.698  H52   JSG  252  
JSG  H53   H53   H  0  1  N  N  N  117.957  104.056  100.288    5.237   -3.928   -5.809  H53   JSG  253  
JSG  H54   H54   H  0  1  N  N  N  120.393  103.399   99.148    4.932   -6.523   -4.229  H54   JSG  254  
JSG  H55   H55   H  0  1  N  N  N  118.359  101.466  100.362    6.833   -5.048   -3.538  H55   JSG  255  
JSG  H56   H56   H  0  1  N  N  N  120.438  103.259  101.713    4.476   -4.907   -1.609  H56   JSG  256  
JSG  H57   H57   H  0  1  N  N  N  118.661  103.521  101.719    5.450   -6.370   -1.887  H57   JSG  257  
JSG  H58   H58   H  0  1  N  N  N  108.271  116.304  110.262    7.990    3.401    4.048  H58   JSG  258  
JSG  H59   H59   H  0  1  N  N  N  107.759  115.179  111.565    7.213    5.001    3.970  H59   JSG  259  
JSG  H60   H60   H  0  1  N  N  N  108.729  117.293  112.439    7.147    3.160    6.402  H60   JSG  260  
JSG  H61   H61   H  0  1  N  N  N  110.188  114.679  112.948    9.432    4.055    5.865  H61   JSG  261  
JSG  H62   H62   H  0  1  N  N  N  110.599  116.181  113.845    8.763    5.703    5.923  H62   JSG  262  
JSG  H63   H63   H  0  1  N  N  N  108.402  116.309  114.822    8.052    5.333    8.269  H63   JSG  263  
JSG  H64   H64   H  0  1  N  N  N  107.753  115.062  113.704    8.722    3.685    8.212  H64   JSG  264  
JSG  H65   H65   H  0  1  N  N  N  109.001  113.319  114.720   10.974    4.615    7.750  H65   JSG  265  
JSG  H66   H66   H  0  1  N  N  N  110.152  114.467  115.485   10.304    6.264    7.808  H66   JSG  266  
JSG  H67   H67   H  0  1  N  N  N  107.241  113.970  116.275    9.594    5.893   10.155  H67   JSG  267  
JSG  H68   H68   H  0  1  N  N  N  108.712  113.531  117.207   10.263    4.245   10.097  H68   JSG  268  
JSG  H69   H69   H  0  1  N  N  N  109.268  116.094  117.012   12.515    5.176    9.635  H69   JSG  269  
JSG  H70   H70   H  0  1  N  N  N  107.513  116.259  116.666   11.845    6.824    9.693  H70   JSG  270  
JSG  H71   H71   H  0  1  N  N  N  108.207  116.529  119.112   11.135    6.454   12.040  H71   JSG  271  
JSG  H72   H72   H  0  1  N  N  N  106.906  115.334  118.786   11.804    4.805   11.982  H72   JSG  272  
JSG  H73   H73   H  0  1  N  N  N  108.717  113.533  118.791   14.056    5.736   11.521  H73   JSG  273  
JSG  H74   H74   H  0  1  N  N  N  109.847  114.787  119.405   13.386    7.384   11.578  H74   JSG  274  
JSG  H75   H75   H  0  1  N  N  N  107.145  114.387  120.739   12.676    7.014   13.925  H75   JSG  275  
JSG  H76   H76   H  0  1  N  N  N  108.508  113.282  121.123   13.345    5.366   13.867  H76   JSG  276  
JSG  H77   H77   H  0  1  N  N  N  109.925  115.330  121.619   15.597    6.296   13.406  H77   JSG  277  
JSG  H78   H78   H  0  1  N  N  N  108.447  116.331  121.422   14.927    7.945   13.463  H78   JSG  278  
JSG  H79   H79   H  0  1  N  N  N  107.402  115.393  123.317   14.217    7.574   15.810  H79   JSG  279  
JSG  H80   H80   H  0  1  N  N  N  108.426  113.919  123.275   14.887    5.926   15.752  H80   JSG  280  
JSG  H81   H81   H  0  1  N  N  N  109.100  115.427  125.133   17.138    6.857   15.291  H81   JSG  281  
JSG  H82   H82   H  0  1  N  N  N  110.408  115.277  123.912   16.469    8.505   15.348  H82   JSG  282  
JSG  H83   H83   H  0  1  N  N  N  109.384  116.752  123.954   16.482    7.498   16.816  H83   JSG  283  
JSG  H84   H84   H  0  1  N  N  N  114.620  113.791  111.912    7.772   -0.462    1.328  H84   JSG  284  
JSG  H85   H85   H  0  1  N  N  N  115.607  115.226  111.471    7.069   -1.096   -0.180  H85   JSG  285  
JSG  H86   H86   H  0  1  N  N  N  112.810  115.473  112.657    9.105    1.170    0.005  H86   JSG  286  
JSG  H87   H87   H  0  1  N  N  N  115.453  114.753  113.867    9.998   -1.112    0.559  H87   JSG  287  
JSG  H88   H88   H  0  1  N  N  N  114.558  116.076  114.688    9.410   -1.688   -1.019  H88   JSG  288  
JSG  H89   H89   H  0  1  N  N  N  112.709  113.942  113.993   10.825   -0.002   -2.162  H89   JSG  289  
JSG  H90   H90   H  0  1  N  N  N  114.102  113.263  114.901   11.413    0.574   -0.584  H90   JSG  290  
JSG  H91   H91   H  0  1  N  N  N  113.578  115.714  116.176   12.339   -1.677   -0.107  H91   JSG  291  
JSG  H92   H92   H  0  1  N  N  N  111.947  115.054  115.816   11.751   -2.253   -1.685  H92   JSG  292  
JSG  H93   H93   H  0  1  N  N  N  112.294  113.130  117.121   13.166   -0.567   -2.828  H93   JSG  293  
JSG  H94   H94   H  0  1  N  N  N  114.083  113.269  117.031   13.754    0.009   -1.250  H94   JSG  294  
JSG  H95   H95   H  0  1  N  N  N  114.085  115.203  118.491   14.680   -2.242   -0.773  H95   JSG  295  
JSG  H96   H96   H  0  1  N  N  N  112.295  115.334  118.414   14.092   -2.818   -2.351  H96   JSG  296  
JSG  H97   H97   H  0  1  N  N  N  112.057  113.181  119.580   15.507   -1.133   -3.494  H97   JSG  297  
JSG  H98   H98   H  0  1  N  N  N  113.840  112.964  119.589   16.095   -0.557   -1.916  H98   JSG  298  
JSG  H99   H99   H  0  1  N  N  N  114.090  115.048  120.918   17.021   -2.807   -1.439  H99   JSG  299  
JSG  H100  H100  H  0  0  N  N  N  112.308  115.275  120.902   16.433   -3.383   -3.018  H100  JSG  300  
JSG  H101  H101  H  0  0  N  N  N  111.938  113.312  122.213   17.848   -1.698   -4.160  H101  JSG  301  
JSG  H102  H102  H  0  0  N  N  N  113.606  112.710  121.928   18.436   -1.122   -2.582  H102  JSG  302  
JSG  H103  H103  H  0  0  N  N  N  114.565  114.398  123.329   19.362   -3.372   -2.106  H103  JSG  303  
JSG  H104  H104  H  0  0  N  N  N  113.042  115.349  123.356   18.773   -3.948   -3.684  H104  JSG  304  
JSG  H105  H105  H  0  0  N  N  N  113.493  114.052  125.481   20.188   -2.263   -4.826  H105  JSG  305  
JSG  H106  H106  H  0  0  N  N  N  111.928  113.657  124.693   20.777   -1.686   -3.248  H106  JSG  306  
JSG  H107  H107  H  0  0  N  N  N  113.092  111.602  125.457   22.386   -3.270   -4.274  H107  JSG  307  
JSG  H108  H108  H  0  0  N  N  N  112.954  111.639  123.667   21.702   -3.937   -2.772  H108  JSG  308  
JSG  H109  H109  H  0  0  N  N  N  114.519  112.034  124.455   21.114   -4.513   -4.350  H109  JSG  309  
JSG  H110  H110  H  0  0  N  N  N  115.603  108.967  112.015   -1.587    8.237   -1.577  H110  JSG  310  
JSG  H111  H111  H  0  0  N  N  N  116.870  110.796  113.058   -1.843    9.730    0.427  H111  JSG  311  
JSG  H112  H112  H  0  0  N  N  N  115.345  111.716  113.291   -0.152    9.381    0.860  H112  JSG  312  
JSG  H113  H113  H  0  0  N  N  N  114.512  109.532  114.514    0.595   10.287   -1.324  H113  JSG  313  
JSG  H114  H114  H  0  0  N  N  N  116.261  109.141  114.631   -1.096   10.637   -1.757  H114  JSG  314  
JSG  H115  H115  H  0  0  N  N  N  116.617  111.482  115.584   -1.283   12.154    0.195  H115  JSG  315  
JSG  H116  H116  H  0  0  N  N  N  114.830  111.645  115.664    0.408   11.805    0.628  H116  JSG  316  
JSG  H117  H117  H  0  0  N  N  N  114.783  109.532  117.074    1.155   12.711   -1.556  H117  JSG  317  
JSG  H118  H118  H  0  0  N  N  N  116.578  109.593  117.118   -0.536   13.060   -1.989  H118  JSG  318  
JSG  H119  H119  H  0  0  N  N  N  116.476  111.878  118.080   -0.723   14.578   -0.037  H119  JSG  319  
JSG  H120  H120  H  0  0  N  N  N  114.682  111.817  118.035    0.968   14.229    0.396  H120  JSG  320  
JSG  H121  H121  H  0  0  N  N  N  114.582  110.150  119.730    1.715   15.135   -1.788  H121  JSG  321  
JSG  H122  H122  H  0  0  N  N  N  116.314  109.720  119.534    0.024   15.484   -2.221  H122  JSG  322  
JSG  H123  H123  H  0  0  N  N  N  116.701  112.285  120.117   -0.163   17.002   -0.269  H123  JSG  323  
JSG  H124  H124  H  0  0  N  N  N  115.063  112.156  120.844    1.528   16.653    0.164  H124  JSG  324  
JSG  H125  H125  H  0  0  N  N  N  115.898  110.164  122.178    2.275   17.559   -2.020  H125  JSG  325  
JSG  H126  H126  H  0  0  N  N  N  117.547  110.510  121.558    0.584   17.908   -2.453  H126  JSG  326  
JSG  H127  H127  H  0  0  N  N  N  116.930  112.994  122.375    0.397   19.426   -0.501  H127  JSG  327  
JSG  H128  H128  H  0  0  N  N  N  115.824  112.094  123.467    2.088   19.076   -0.068  H128  JSG  328  
JSG  H129  H129  H  0  0  N  N  N  117.831  112.318  124.711    2.835   19.983   -2.252  H129  JSG  329  
JSG  H130  H130  H  0  0  N  N  N  117.897  110.646  124.059    1.144   20.332   -2.685  H130  JSG  330  
JSG  H131  H131  H  0  0  N  N  N  120.071  111.815  123.757    2.276   22.359   -1.814  H131  JSG  331  
JSG  H132  H132  H  0  0  N  N  N  119.311  111.438  122.174    0.957   21.850   -0.733  H132  JSG  332  
JSG  H133  H133  H  0  0  N  N  N  119.245  113.110  122.826    2.648   21.500   -0.300  H133  JSG  333  
JSG  H134  H134  H  0  0  N  N  N  117.896  107.396  110.068   -6.521    6.149   -1.686  H134  JSG  334  
JSG  H135  H135  H  0  0  N  N  N  116.192  107.835  110.429   -6.995    4.883   -2.843  H135  JSG  335  
JSG  H136  H136  H  0  0  N  N  N  117.667  105.277  111.135   -8.277    5.293   -0.106  H136  JSG  336  
JSG  H137  H137  H  0  0  N  N  N  117.313  107.870  112.199   -8.705    7.169   -1.721  H137  JSG  337  
JSG  H138  H138  H  0  0  N  N  N  116.242  106.803  113.169   -9.341    5.979   -2.882  H138  JSG  338  
JSG  H139  H139  H  0  0  N  N  N  118.281  105.210  113.335  -11.062    5.292   -1.234  H139  JSG  339  
JSG  H140  H140  H  0  0  N  N  N  119.254  106.601  112.747  -10.426    6.482   -0.073  H140  JSG  340  
JSG  H141  H141  H  0  0  N  N  N  119.122  106.492  115.263  -10.928    8.309   -1.673  H141  JSG  341  
JSG  H142  H142  H  0  0  N  N  N  118.430  108.006  114.590  -11.564    7.119   -2.833  H142  JSG  342  
JSG  H143  H143  H  0  0  N  N  N  116.380  107.529  115.445  -13.285    6.432   -1.186  H143  JSG  343  
JSG  H144  H144  H  0  0  N  N  N  116.398  105.890  114.710  -12.649    7.622   -0.025  H144  JSG  344  
JSG  H145  H145  H  0  0  N  N  N  116.229  105.788  117.195  -13.151    9.449   -1.624  H145  JSG  345  
JSG  H146  H146  H  0  0  N  N  N  117.757  105.050  116.604  -13.787    8.259   -2.785  H146  JSG  346  
JSG  H147  H147  H  0  0  N  N  N  118.498  107.699  116.851  -15.508    7.572   -1.137  H147  JSG  347  
JSG  H148  H148  H  0  0  N  N  N  117.320  107.539  118.197  -14.872    8.762    0.023  H148  JSG  348  
JSG  H149  H149  H  0  0  N  N  N  119.644  105.614  117.679  -15.373   10.590   -1.576  H149  JSG  349  
JSG  H150  H150  H  0  0  N  N  N  119.673  106.955  118.874  -16.009    9.399   -2.736  H150  JSG  350  
JSG  H151  H151  H  0  0  N  N  N  117.495  104.804  118.823  -17.730    8.712   -1.089  H151  JSG  351  
JSG  H152  H152  H  0  0  N  N  N  118.988  104.666  119.813  -17.094    9.902    0.072  H152  JSG  352  
JSG  H153  H153  H  0  0  N  N  N  117.240  107.160  119.909  -17.596   11.730   -1.527  H153  JSG  353  
JSG  H154  H154  H  0  0  N  N  N  116.881  105.725  120.929  -18.232   10.539   -2.688  H154  JSG  354  
JSG  H155  H155  H  0  0  N  N  N  119.145  105.811  121.894  -19.953    9.852   -1.040  H155  JSG  355  
JSG  H156  H156  H  0  0  N  N  N  119.571  107.188  120.823  -19.317   11.042    0.120  H156  JSG  356  
JSG  H157  H157  H  0  0  N  N  N  118.897  107.979  123.078  -21.287   11.942   -1.088  H157  JSG  357  
JSG  H158  H158  H  0  0  N  N  N  117.740  108.530  121.820  -19.819   12.870   -1.479  H158  JSG  358  
JSG  H159  H159  H  0  0  N  N  N  117.314  107.152  122.890  -20.455   11.680   -2.639  H159  JSG  359  
JSG  H160  H160  H  0  0  N  N  N  110.835  110.753  111.351    2.881    8.265   -2.235  H160  JSG  360  
JSG  H161  H161  H  0  0  N  N  N  111.304  109.327  112.338    2.322    6.655   -2.748  H161  JSG  361  
JSG  H162  H162  H  0  0  N  N  N  111.087  112.126  113.552    1.512    7.674   -4.897  H162  JSG  362  
JSG  H163  H163  H  0  0  N  N  N  109.663  111.038  113.426    2.213    9.228   -4.385  H163  JSG  363  
JSG  H164  H164  H  0  0  N  N  N  110.879  109.275  114.659    4.451    8.170   -4.236  H164  JSG  364  
JSG  H165  H165  H  0  0  N  N  N  112.334  110.324  114.749    3.750    6.616   -4.747  H165  JSG  365  
JSG  H166  H166  H  0  0  N  N  N  111.521  111.373  116.573    3.026    7.645   -6.884  H166  JSG  366  
JSG  H167  H167  H  0  0  N  N  N  109.995  111.770  115.712    3.727    9.199   -6.372  H167  JSG  367  
JSG  H168  H168  H  0  0  N  N  N  109.101  109.524  116.219    5.965    8.141   -6.223  H168  JSG  368  
JSG  H169  H169  H  0  0  N  N  N  110.641  109.077  117.028    5.264    6.587   -6.734  H169  JSG  369  
JSG  H170  H170  H  0  0  N  N  N  109.041  111.529  117.880    4.541    7.617   -8.871  H170  JSG  370  
JSG  H171  H171  H  0  0  N  N  N  108.681  109.895  118.533    5.241    9.171   -8.359  H171  JSG  371  
JSG  H172  H172  H  0  0  N  N  N  111.274  109.776  118.979    7.479    8.113   -8.210  H172  JSG  372  
JSG  H173  H173  H  0  0  N  N  N  111.210  111.564  118.818    6.778    6.558   -8.722  H173  JSG  373  
JSG  H174  H174  H  0  0  N  N  N  109.697  111.792  120.636    6.055    7.588  -10.858  H174  JSG  374  
JSG  H175  H175  H  0  0  N  N  N  109.231  110.058  120.582    6.756    9.142  -10.347  H175  JSG  375  
JSG  H176  H176  H  0  0  N  N  N  111.597  109.471  121.251    8.993    8.084  -10.197  H176  JSG  376  
JSG  H177  H177  H  0  0  N  N  N  111.924  111.225  121.458    8.292    6.530  -10.709  H177  JSG  377  
JSG  H178  H178  H  0  0  N  N  N  111.321  110.192  123.623    7.569    7.559  -12.845  H178  JSG  378  
JSG  H179  H179  H  0  0  N  N  N  110.060  111.363  123.109    8.270    9.113  -12.334  H179  JSG  379  
JSG  H180  H180  H  0  0  N  N  N  109.039  109.256  123.950    9.826    7.881  -13.819  H180  JSG  380  
JSG  H181  H181  H  0  0  N  N  N  108.691  109.493  122.204   10.507    8.055  -12.184  H181  JSG  381  
JSG  H182  H182  H  0  0  N  N  N  109.952  108.321  122.718    9.807    6.501  -12.696  H182  JSG  382  
JSG  H183  H183  H  0  0  N  N  N  113.893  104.115  113.023  -11.056    2.035   -1.623  H183  JSG  383  
JSG  H184  H184  H  0  0  N  N  N  114.490  105.421  114.102   -9.734    1.255   -0.723  H184  JSG  384  
JSG  H185  H185  H  0  0  N  N  N  112.355  106.663  112.842  -10.880    1.778    1.413  H185  JSG  385  
JSG  H186  H186  H  0  0  N  N  N  111.769  104.970  112.964  -12.202    2.558    0.513  H186  JSG  386  
JSG  H187  H187  H  0  0  N  N  N  111.168  106.373  114.963  -12.683    0.415   -0.638  H187  JSG  387  
JSG  H188  H188  H  0  0  N  N  N  112.182  104.948  115.375  -11.361   -0.365    0.262  H188  JSG  388  
JSG  H189  H189  H  0  0  N  N  N  114.135  106.286  115.681  -12.507    0.158    2.398  H189  JSG  389  
JSG  H190  H190  H  0  0  N  N  N  113.409  107.692  114.833  -13.829    0.938    1.498  H190  JSG  390  
JSG  H191  H191  H  0  0  N  N  N  112.401  108.433  116.727  -14.310   -1.205    0.347  H191  JSG  391  
JSG  H192  H192  H  0  0  N  N  N  111.772  106.797  117.119  -12.988   -1.986    1.248  H192  JSG  392  
JSG  H193  H193  H  0  0  N  N  N  114.271  106.288  117.804  -14.133   -1.463    3.384  H193  JSG  393  
JSG  H194  H194  H  0  0  N  N  N  114.424  108.076  117.886  -15.456   -0.682    2.483  H194  JSG  394  
JSG  H195  H195  H  0  0  N  N  N  112.563  108.211  119.476  -15.937   -2.826    1.332  H195  JSG  395  
JSG  H196  H196  H  0  0  N  N  N  112.247  106.450  119.311  -14.614   -3.606    2.233  H196  JSG  396  
JSG  H197  H197  H  0  0  N  N  N  114.912  106.435  119.986  -15.760   -3.083    4.369  H197  JSG  397  
JSG  H198  H198  H  0  0  N  N  N  114.344  107.889  120.876  -17.083   -2.303    3.468  H198  JSG  398  
JSG  H199  H199  H  0  0  N  N  N  112.412  105.675  121.051  -17.564   -4.446    2.318  H199  JSG  399  
JSG  H200  H200  H  0  0  N  N  N  114.029  105.199  121.673  -16.241   -5.226    3.218  H200  JSG  400  
JSG  H201  H201  H  0  0  N  N  N  112.743  107.853  122.447  -17.387   -4.703    5.354  H201  JSG  401  
JSG  H202  H202  H  0  0  N  N  N  112.373  106.337  123.336  -18.709   -3.923    4.453  H202  JSG  402  
JSG  H203  H203  H  0  0  N  N  N  115.072  106.132  123.265  -19.191   -6.066    3.303  H203  JSG  403  
JSG  H204  H204  H  0  0  N  N  N  114.928  107.921  123.194  -17.868   -6.846    4.203  H204  JSG  404  
JSG  H205  H205  H  0  0  N  N  N  113.102  106.660  125.166  -19.014   -6.323    6.339  H205  JSG  405  
JSG  H206  H206  H  0  0  N  N  N  114.841  106.383  125.519  -20.336   -5.543    5.439  H206  JSG  406  
JSG  H207  H207  H  0  0  N  N  N  114.033  108.481  126.583  -20.817   -7.686    4.288  H207  JSG  407  
JSG  H208  H208  H  0  0  N  N  N  115.270  108.825  125.327  -19.495   -8.466    5.188  H208  JSG  408  
JSG  H209  H209  H  0  0  N  N  N  113.531  109.103  124.974  -20.931   -7.870    6.055  H209  JSG  409  
JSG  H210  H210  H  0  0  N  N  N  110.063  115.730  108.892    6.151    3.404    2.077  H210  JSG  410  
JSG  H211  H211  H  0  0  N  N  N  114.789  113.611  108.642    2.256    0.324   -0.953  H211  JSG  411  
JSG  H212  H212  H  0  0  N  N  N  110.820  105.037  103.603   -3.841   -4.574   -3.640  H212  JSG  412  
JSG  H213  H213  H  0  0  N  N  N  111.746  105.058  100.627    1.337   -1.536    1.360  H213  JSG  413  
JSG  H214  H214  H  0  0  N  N  N  108.748  105.200   97.356    2.742   -1.032   -2.262  H214  JSG  414  
JSG  H215  H215  H  0  0  N  N  N  116.915  109.328  103.047   -3.595   -2.137    5.651  H215  JSG  415  
JSG  H216  H216  H  0  0  N  N  N  113.786  111.782   97.561   -4.060   -8.352    4.808  H216  JSG  416  
JSG  H217  H217  H  0  0  N  N  N  118.271  112.204   98.353   -7.043   -6.833    4.370  H217  JSG  417  
JSG  H218  H218  H  0  0  N  N  N  119.275  110.758   99.947   -6.822   -6.045   -0.249  H218  JSG  418  
JSG  H219  H219  H  0  0  N  N  N  121.240  110.799   95.908   -7.639   -2.173   -0.646  H219  JSG  419  
JSG  H220  H220  H  0  0  N  N  N  114.438  103.777   96.649    3.130   -6.519    0.687  H220  JSG  420  
JSG  H221  H221  H  0  0  N  N  N  109.871  105.957   96.135    1.728   -6.522    4.692  H221  JSG  421  
JSG  H222  H222  H  0  0  N  N  N  110.946  105.742   91.695   -1.038   -4.760    6.977  H222  JSG  422  
JSG  H223  H223  H  0  0  N  N  N  117.497  110.012   94.317   -2.144  -11.198   -1.786  H223  JSG  423  
JSG  H224  H224  H  0  0  N  N  N  118.141  107.578   90.700    0.595  -13.516   -0.291  H224  JSG  424  
JSG  H225  H225  H  0  0  N  N  N  121.293  105.915   96.166    0.372   -9.348   -4.637  H225  JSG  425  
JSG  H226  H226  H  0  0  N  N  N  115.800  103.492   96.186    1.887   -3.412   -6.282  H226  JSG  426  
JSG  H227  H227  H  0  0  N  N  N  116.288  102.409   99.572    4.023   -5.519   -8.743  H227  JSG  427  
JSG  H228  H228  H  0  0  N  N  N  119.590  105.516   99.429    6.907   -5.248   -6.896  H228  JSG  428  
JSG  H229  H229  H  0  0  N  N  N  120.327  100.424  101.067    4.774   -3.053   -3.087  H229  JSG  429  
JSG  H230  H230  H  0  0  N  N  N  119.403  102.355  103.587    6.283   -5.082   -0.057  H230  JSG  430  
JSG  H231  H231  H  0  0  N  N  N  111.029  117.557  112.115    6.332    5.925    6.055  H231  JSG  431  
JSG  H232  H232  H  0  0  N  N  N  113.775  117.550  113.152    7.899   -0.162   -2.274  H232  JSG  432  
JSG  H233  H233  H  0  0  N  N  N  113.809  104.538  105.512   -8.397    0.345   -2.983  H233  JSG  433  
JSG  H234  H234  H  0  0  N  N  N  117.206  103.060  105.715   -5.623   -1.159   -2.909  H234  JSG  434  
JSG  H235  H235  H  0  0  N  N  N  111.844  116.384  104.114    1.107    5.878    0.604  H235  JSG  435  
JSG  H236  H236  H  0  0  N  N  N  108.544  115.064  105.255    3.451    7.893    0.353  H236  JSG  436  
JSG  H237  H237  H  0  0  N  N  N  121.142  107.910   91.130    3.785  -10.869   -5.154  H237  JSG  437  
JSG  H238  H238  H  0  0  N  N  N  120.352  104.754   89.339    5.236  -13.545   -4.320  H238  JSG  438  
JSG  H239  H239  H  0  0  N  N  N  114.128  110.347   95.575   -1.733  -12.068    4.153  H239  JSG  439  
JSG  H240  H240  H  0  0  N  N  N  111.702  110.130   92.827   -0.700   -9.426    5.539  H240  JSG  440  
#   #
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
JSG  OHL  PHK   DOUB  N  N    1  
JSG  OHN  PHK   SING  N  N    2  
JSG  PHK  OHM   SING  N  N    3  
JSG  PHK  OCX   SING  N  N    4  
JSG  OCW  CCQ   SING  N  N    5  
JSG  OCX  CCR   SING  N  N    6  
JSG  CCQ  CCR   SING  N  N    7  
JSG  CCQ  CCP   SING  N  N    8  
JSG  OCN  CCH   SING  N  N    9  
JSG  CCR  CCS   SING  N  N   10  
JSG  OHQ  PHO   DOUB  N  N   11  
JSG  CCH  CCG   SING  N  N   12  
JSG  CCP  OCV   SING  N  N   13  
JSG  CCP  CCO   SING  N  N   14  
JSG  OHR  PHO   SING  N  N   15  
JSG  OCK  PHO   SING  N  N   16  
JSG  OCK  CCE   SING  N  N   17  
JSG  PHO  OHP   SING  N  N   18  
JSG  CCS  CCT   SING  N  N   19  
JSG  CCS  OCY   SING  N  N   20  
JSG  CCE  CCF   SING  N  N   21  
JSG  CCE  CCD   SING  N  N   22  
JSG  CCT  CCU   SING  N  N   23  
JSG  CCT  OCZ   SING  N  N   24  
JSG  OCJ  CCO   SING  N  N   25  
JSG  OCJ  CCD   SING  N  N   26  
JSG  CCO  OCY   SING  N  N   27  
JSG  CCG  CCF   SING  N  N   28  
JSG  CCG  OCM   SING  N  N   29  
JSG  CCU  ODA   SING  N  N   30  
JSG  CCF  OCL   SING  N  N   31  
JSG  CCD  CCC   SING  N  N   32  
JSG  OCI  CCC   SING  N  N   33  
JSG  ODI  CDC   SING  N  N   34  
JSG  ODA  CDB   SING  N  N   35  
JSG  CCC  CCB   SING  N  N   36  
JSG  OCL  CCB   SING  N  N   37  
JSG  CDB  CDC   SING  N  N   38  
JSG  CDB  ODL   SING  N  N   39  
JSG  CBZ  OCA   SING  N  N   40  
JSG  CBZ  CBX   SING  N  N   41  
JSG  CDC  CDD   SING  N  N   42  
JSG  CCB  OBF   SING  N  N   43  
JSG  OBS  CBR   SING  N  N   44  
JSG  CBT  CBR   SING  N  N   45  
JSG  CBT  CBV   SING  N  N   46  
JSG  CBT  OBU   SING  N  N   47  
JSG  ODL  CDF   SING  N  N   48  
JSG  CBR  CBQ   SING  N  N   49  
JSG  OBL  CBK   SING  N  N   50  
JSG  CBX  CBV   SING  N  N   51  
JSG  CBX  OBY   SING  N  N   52  
JSG  CBV  OBW   SING  N  N   53  
JSG  CDD  ODJ   SING  N  N   54  
JSG  CDD  CDE   SING  N  N   55  
JSG  CBK  CBI   SING  N  N   56  
JSG  OBF  CBE   SING  N  N   57  
JSG  ODK  CDE   SING  N  N   58  
JSG  CDF  CDE   SING  N  N   59  
JSG  CDF  CDG   SING  N  N   60  
JSG  CBE  CBG   SING  N  N   61  
JSG  CBE  CBC   SING  N  N   62  
JSG  CBQ  CBP   SING  N  N   63  
JSG  OBD  CBP   SING  N  N   64  
JSG  OBD  CBC   SING  N  N   65  
JSG  OBW  CBP   SING  N  N   66  
JSG  CBI  OBJ   SING  N  N   67  
JSG  CBI  CBG   SING  N  N   68  
JSG  CBG  OBH   SING  N  N   69  
JSG  CBP  CBM   SING  N  N   70  
JSG  CBC  CBB   SING  N  N   71  
JSG  ODM  CDG   SING  N  N   72  
JSG  CDG  CDH   SING  N  N   73  
JSG  CBB  CBA   SING  N  N   74  
JSG  OBH  CBA   SING  N  N   75  
JSG  CBM  OBO   DOUB  N  N   76  
JSG  CBM  OBN   SING  N  N   77  
JSG  CDH  ODN   SING  N  N   78  
JSG  CBA  CAX   SING  N  N   79  
JSG  CBA  O6    SING  N  N   80  
JSG  OAZ  CAX   DOUB  N  N   81  
JSG  CAX  OAY   SING  N  N   82  
JSG  O6   C6    SING  N  N   83  
JSG  OHE  PHC   DOUB  N  N   84  
JSG  OHI  PHG   DOUB  N  N   85  
JSG  C6   C5    SING  N  N   86  
JSG  C5   O5    SING  N  N   87  
JSG  C5   C4    SING  N  N   88  
JSG  O5   C1    SING  N  N   89  
JSG  OHH  PHG   SING  N  N   90  
JSG  PHG  OHJ   SING  N  N   91  
JSG  PHG  OAM   SING  N  N   92  
JSG  O4   PHC   SING  N  N   93  
JSG  O4   C4    SING  N  N   94  
JSG  PHC  OHD   SING  N  N   95  
JSG  PHC  OHF   SING  N  N   96  
JSG  O1   C1    SING  N  N   97  
JSG  O1   CAV   SING  N  N   98  
JSG  C4   C3    SING  N  N   99  
JSG  C1   C2    SING  N  N  100  
JSG  OAM  CAL   SING  N  N  101  
JSG  C3   C2    SING  N  N  102  
JSG  C3   O3    SING  N  N  103  
JSG  OAU  CAT   SING  N  N  104  
JSG  OAU  CAL   SING  N  N  105  
JSG  CAV  CAT   SING  N  N  106  
JSG  CAT  CAR   SING  N  N  107  
JSG  CAL  CAN   SING  N  N  108  
JSG  C2   N2    SING  N  N  109  
JSG  O3   CFK   SING  N  N  110  
JSG  OAS  CAR   SING  N  N  111  
JSG  CAR  CAP   SING  N  N  112  
JSG  N2   C7    SING  N  N  113  
JSG  OFY  CFK   DOUB  N  N  114  
JSG  CAN  CAP   SING  N  N  115  
JSG  CAN  NAO   SING  N  N  116  
JSG  CFK  CFL   SING  N  N  117  
JSG  CAP  OAQ   SING  N  N  118  
JSG  NAO  CDO   SING  N  N  119  
JSG  OES  CEE   DOUB  N  N  120  
JSG  C7   O7    DOUB  N  N  121  
JSG  C7   C8    SING  N  N  122  
JSG  CFL  CFM   SING  N  N  123  
JSG  OAQ  CEE   SING  N  N  124  
JSG  CEE  CEF   SING  N  N  125  
JSG  CDO  OEC   DOUB  N  N  126  
JSG  CDO  CDP   SING  N  N  127  
JSG  C8   CEW   SING  N  N  128  
JSG  CDP  CDQ   SING  N  N  129  
JSG  CFM  OFZ   SING  N  N  130  
JSG  CFM  CFN   SING  N  N  131  
JSG  OFZ  CGN   SING  N  N  132  
JSG  OED  CDQ   SING  N  N  133  
JSG  OGO  CGN   DOUB  N  N  134  
JSG  CEF  CEG   SING  N  N  135  
JSG  CGN  CGP   SING  N  N  136  
JSG  CEW  OFJ   SING  N  N  137  
JSG  CEW  CEX   SING  N  N  138  
JSG  CDQ  CDR   SING  N  N  139  
JSG  OGA  CGB   DOUB  N  N  140  
JSG  CGB  OFJ   SING  N  N  141  
JSG  CGB  CGC   SING  N  N  142  
JSG  CGC  CGD   SING  N  N  143  
JSG  OET  CEG   SING  N  N  144  
JSG  CFN  CFO   SING  N  N  145  
JSG  CEG  CEH   SING  N  N  146  
JSG  CGP  CGQ   SING  N  N  147  
JSG  CEX  CEY   SING  N  N  148  
JSG  CFO  CFP   SING  N  N  149  
JSG  CDR  CDS   SING  N  N  150  
JSG  CGQ  CGR   SING  N  N  151  
JSG  CGD  CGE   SING  N  N  152  
JSG  CEH  CEI   SING  N  N  153  
JSG  CDS  CDT   SING  N  N  154  
JSG  CEY  CEZ   SING  N  N  155  
JSG  CFP  CFQ   SING  N  N  156  
JSG  CEI  CEJ   SING  N  N  157  
JSG  CGE  CGF   SING  N  N  158  
JSG  CGR  CGS   SING  N  N  159  
JSG  CDT  CDU   SING  N  N  160  
JSG  CFQ  CFR   SING  N  N  161  
JSG  CGS  CGT   SING  N  N  162  
JSG  CEZ  CFA   SING  N  N  163  
JSG  CEJ  CEK   SING  N  N  164  
JSG  CGF  CGG   SING  N  N  165  
JSG  CDU  CDV   SING  N  N  166  
JSG  CFR  CFS   SING  N  N  167  
JSG  CGG  CGH   SING  N  N  168  
JSG  CGT  CGU   SING  N  N  169  
JSG  CFA  CFB   SING  N  N  170  
JSG  CEK  CEL   SING  N  N  171  
JSG  CDV  CDW   SING  N  N  172  
JSG  CFS  CFT   SING  N  N  173  
JSG  CGU  CGV   SING  N  N  174  
JSG  CGH  CGI   SING  N  N  175  
JSG  CFB  CFC   SING  N  N  176  
JSG  CFT  CFU   SING  N  N  177  
JSG  CEL  CEM   SING  N  N  178  
JSG  CDW  CDX   SING  N  N  179  
JSG  CGI  CGJ   SING  N  N  180  
JSG  CGV  CGW   SING  N  N  181  
JSG  CFU  CFV   SING  N  N  182  
JSG  CDX  CDY   SING  N  N  183  
JSG  CFC  CFD   SING  N  N  184  
JSG  CEM  CEN   SING  N  N  185  
JSG  CFV  CFW   SING  N  N  186  
JSG  CGW  CGX   SING  N  N  187  
JSG  CGJ  CGK   SING  N  N  188  
JSG  CFD  CFE   SING  N  N  189  
JSG  CDY  CDZ   SING  N  N  190  
JSG  CEN  CEO   SING  N  N  191  
JSG  CFW  CFX   SING  N  N  192  
JSG  CGX  CGY   SING  N  N  193  
JSG  CGK  CGL   SING  N  N  194  
JSG  CDZ  CEA   SING  N  N  195  
JSG  CFE  CFF   SING  N  N  196  
JSG  CEO  CEP   SING  N  N  197  
JSG  CGY  CGZ   SING  N  N  198  
JSG  CFF  CFG   SING  N  N  199  
JSG  CGL  CGM   SING  N  N  200  
JSG  CFH  CFG   SING  N  N  201  
JSG  CEA  CEB   SING  N  N  202  
JSG  CEP  CEQ   SING  N  N  203  
JSG  CGZ  CHA   SING  N  N  204  
JSG  CER  CEQ   SING  N  N  205  
JSG  CHA  CHB   SING  N  N  206  
JSG  C4   H1    SING  N  N  207  
JSG  C5   H2    SING  N  N  208  
JSG  C6   H3    SING  N  N  209  
JSG  C6   H4    SING  N  N  210  
JSG  C8   H5    SING  N  N  211  
JSG  C8   H6    SING  N  N  212  
JSG  N2   H7    SING  N  N  213  
JSG  C3   H8    SING  N  N  214  
JSG  C1   H9    SING  N  N  215  
JSG  C2   H10   SING  N  N  216  
JSG  CAL  H11   SING  N  N  217  
JSG  CAN  H12   SING  N  N  218  
JSG  CAP  H13   SING  N  N  219  
JSG  CAR  H14   SING  N  N  220  
JSG  CAT  H15   SING  N  N  221  
JSG  CAV  H16   SING  N  N  222  
JSG  CAV  H17   SING  N  N  223  
JSG  CBB  H18   SING  N  N  224  
JSG  CBB  H19   SING  N  N  225  
JSG  CBC  H20   SING  N  N  226  
JSG  CBE  H21   SING  N  N  227  
JSG  CBG  H22   SING  N  N  228  
JSG  CBI  H23   SING  N  N  229  
JSG  CBK  H24   SING  N  N  230  
JSG  CBK  H25   SING  N  N  231  
JSG  CBQ  H26   SING  N  N  232  
JSG  CBQ  H27   SING  N  N  233  
JSG  CBR  H28   SING  N  N  234  
JSG  CBT  H29   SING  N  N  235  
JSG  CBV  H30   SING  N  N  236  
JSG  CBX  H31   SING  N  N  237  
JSG  CBZ  H32   SING  N  N  238  
JSG  CBZ  H33   SING  N  N  239  
JSG  CCB  H34   SING  N  N  240  
JSG  CCC  H35   SING  N  N  241  
JSG  CCD  H36   SING  N  N  242  
JSG  CCE  H37   SING  N  N  243  
JSG  CCF  H38   SING  N  N  244  
JSG  CCG  H39   SING  N  N  245  
JSG  CCH  H40   SING  N  N  246  
JSG  CCH  H41   SING  N  N  247  
JSG  CCO  H42   SING  N  N  248  
JSG  CCP  H43   SING  N  N  249  
JSG  CCQ  H44   SING  N  N  250  
JSG  CCR  H45   SING  N  N  251  
JSG  CCS  H46   SING  N  N  252  
JSG  CCT  H47   SING  N  N  253  
JSG  CCU  H48   SING  N  N  254  
JSG  CCU  H49   SING  N  N  255  
JSG  CDB  H50   SING  N  N  256  
JSG  CDC  H51   SING  N  N  257  
JSG  CDD  H52   SING  N  N  258  
JSG  CDE  H53   SING  N  N  259  
JSG  CDF  H54   SING  N  N  260  
JSG  CDG  H55   SING  N  N  261  
JSG  CDH  H56   SING  N  N  262  
JSG  CDH  H57   SING  N  N  263  
JSG  CDP  H58   SING  N  N  264  
JSG  CDP  H59   SING  N  N  265  
JSG  CDQ  H60   SING  N  N  266  
JSG  CDR  H61   SING  N  N  267  
JSG  CDR  H62   SING  N  N  268  
JSG  CDS  H63   SING  N  N  269  
JSG  CDS  H64   SING  N  N  270  
JSG  CDT  H65   SING  N  N  271  
JSG  CDT  H66   SING  N  N  272  
JSG  CDU  H67   SING  N  N  273  
JSG  CDU  H68   SING  N  N  274  
JSG  CDV  H69   SING  N  N  275  
JSG  CDV  H70   SING  N  N  276  
JSG  CDW  H71   SING  N  N  277  
JSG  CDW  H72   SING  N  N  278  
JSG  CDX  H73   SING  N  N  279  
JSG  CDX  H74   SING  N  N  280  
JSG  CDY  H75   SING  N  N  281  
JSG  CDY  H76   SING  N  N  282  
JSG  CDZ  H77   SING  N  N  283  
JSG  CDZ  H78   SING  N  N  284  
JSG  CEA  H79   SING  N  N  285  
JSG  CEA  H80   SING  N  N  286  
JSG  CEB  H81   SING  N  N  287  
JSG  CEB  H82   SING  N  N  288  
JSG  CEB  H83   SING  N  N  289  
JSG  CEF  H84   SING  N  N  290  
JSG  CEF  H85   SING  N  N  291  
JSG  CEG  H86   SING  N  N  292  
JSG  CEH  H87   SING  N  N  293  
JSG  CEH  H88   SING  N  N  294  
JSG  CEI  H89   SING  N  N  295  
JSG  CEI  H90   SING  N  N  296  
JSG  CEJ  H91   SING  N  N  297  
JSG  CEJ  H92   SING  N  N  298  
JSG  CEK  H93   SING  N  N  299  
JSG  CEK  H94   SING  N  N  300  
JSG  CEL  H95   SING  N  N  301  
JSG  CEL  H96   SING  N  N  302  
JSG  CEM  H97   SING  N  N  303  
JSG  CEM  H98   SING  N  N  304  
JSG  CEN  H99   SING  N  N  305  
JSG  CEN  H100  SING  N  N  306  
JSG  CEO  H101  SING  N  N  307  
JSG  CEO  H102  SING  N  N  308  
JSG  CEP  H103  SING  N  N  309  
JSG  CEP  H104  SING  N  N  310  
JSG  CEQ  H105  SING  N  N  311  
JSG  CEQ  H106  SING  N  N  312  
JSG  CER  H107  SING  N  N  313  
JSG  CER  H108  SING  N  N  314  
JSG  CER  H109  SING  N  N  315  
JSG  CEW  H110  SING  N  N  316  
JSG  CEX  H111  SING  N  N  317  
JSG  CEX  H112  SING  N  N  318  
JSG  CEY  H113  SING  N  N  319  
JSG  CEY  H114  SING  N  N  320  
JSG  CEZ  H115  SING  N  N  321  
JSG  CEZ  H116  SING  N  N  322  
JSG  CFA  H117  SING  N  N  323  
JSG  CFA  H118  SING  N  N  324  
JSG  CFB  H119  SING  N  N  325  
JSG  CFB  H120  SING  N  N  326  
JSG  CFC  H121  SING  N  N  327  
JSG  CFC  H122  SING  N  N  328  
JSG  CFD  H123  SING  N  N  329  
JSG  CFD  H124  SING  N  N  330  
JSG  CFE  H125  SING  N  N  331  
JSG  CFE  H126  SING  N  N  332  
JSG  CFF  H127  SING  N  N  333  
JSG  CFF  H128  SING  N  N  334  
JSG  CFG  H129  SING  N  N  335  
JSG  CFG  H130  SING  N  N  336  
JSG  CFH  H131  SING  N  N  337  
JSG  CFH  H132  SING  N  N  338  
JSG  CFH  H133  SING  N  N  339  
JSG  CFL  H134  SING  N  N  340  
JSG  CFL  H135  SING  N  N  341  
JSG  CFM  H136  SING  N  N  342  
JSG  CFN  H137  SING  N  N  343  
JSG  CFN  H138  SING  N  N  344  
JSG  CFO  H139  SING  N  N  345  
JSG  CFO  H140  SING  N  N  346  
JSG  CFP  H141  SING  N  N  347  
JSG  CFP  H142  SING  N  N  348  
JSG  CFQ  H143  SING  N  N  349  
JSG  CFQ  H144  SING  N  N  350  
JSG  CFR  H145  SING  N  N  351  
JSG  CFR  H146  SING  N  N  352  
JSG  CFS  H147  SING  N  N  353  
JSG  CFS  H148  SING  N  N  354  
JSG  CFT  H149  SING  N  N  355  
JSG  CFT  H150  SING  N  N  356  
JSG  CFU  H151  SING  N  N  357  
JSG  CFU  H152  SING  N  N  358  
JSG  CFV  H153  SING  N  N  359  
JSG  CFV  H154  SING  N  N  360  
JSG  CFW  H155  SING  N  N  361  
JSG  CFW  H156  SING  N  N  362  
JSG  CFX  H157  SING  N  N  363  
JSG  CFX  H158  SING  N  N  364  
JSG  CFX  H159  SING  N  N  365  
JSG  CGC  H160  SING  N  N  366  
JSG  CGC  H161  SING  N  N  367  
JSG  CGD  H162  SING  N  N  368  
JSG  CGD  H163  SING  N  N  369  
JSG  CGE  H164  SING  N  N  370  
JSG  CGE  H165  SING  N  N  371  
JSG  CGF  H166  SING  N  N  372  
JSG  CGF  H167  SING  N  N  373  
JSG  CGG  H168  SING  N  N  374  
JSG  CGG  H169  SING  N  N  375  
JSG  CGH  H170  SING  N  N  376  
JSG  CGH  H171  SING  N  N  377  
JSG  CGI  H172  SING  N  N  378  
JSG  CGI  H173  SING  N  N  379  
JSG  CGJ  H174  SING  N  N  380  
JSG  CGJ  H175  SING  N  N  381  
JSG  CGK  H176  SING  N  N  382  
JSG  CGK  H177  SING  N  N  383  
JSG  CGL  H178  SING  N  N  384  
JSG  CGL  H179  SING  N  N  385  
JSG  CGM  H180  SING  N  N  386  
JSG  CGM  H181  SING  N  N  387  
JSG  CGM  H182  SING  N  N  388  
JSG  CGP  H183  SING  N  N  389  
JSG  CGP  H184  SING  N  N  390  
JSG  CGQ  H185  SING  N  N  391  
JSG  CGQ  H186  SING  N  N  392  
JSG  CGR  H187  SING  N  N  393  
JSG  CGR  H188  SING  N  N  394  
JSG  CGS  H189  SING  N  N  395  
JSG  CGS  H190  SING  N  N  396  
JSG  CGT  H191  SING  N  N  397  
JSG  CGT  H192  SING  N  N  398  
JSG  CGU  H193  SING  N  N  399  
JSG  CGU  H194  SING  N  N  400  
JSG  CGV  H195  SING  N  N  401  
JSG  CGV  H196  SING  N  N  402  
JSG  CGW  H197  SING  N  N  403  
JSG  CGW  H198  SING  N  N  404  
JSG  CGX  H199  SING  N  N  405  
JSG  CGX  H200  SING  N  N  406  
JSG  CGY  H201  SING  N  N  407  
JSG  CGY  H202  SING  N  N  408  
JSG  CGZ  H203  SING  N  N  409  
JSG  CGZ  H204  SING  N  N  410  
JSG  CHA  H205  SING  N  N  411  
JSG  CHA  H206  SING  N  N  412  
JSG  CHB  H207  SING  N  N  413  
JSG  CHB  H208  SING  N  N  414  
JSG  CHB  H209  SING  N  N  415  
JSG  NAO  H210  SING  N  N  416  
JSG  OAS  H211  SING  N  N  417  
JSG  OAY  H212  SING  N  N  418  
JSG  OBJ  H213  SING  N  N  419  
JSG  OBL  H214  SING  N  N  420  
JSG  OBN  H215  SING  N  N  421  
JSG  OBS  H216  SING  N  N  422  
JSG  OBU  H217  SING  N  N  423  
JSG  OBY  H218  SING  N  N  424  
JSG  OCA  H219  SING  N  N  425  
JSG  OCI  H220  SING  N  N  426  
JSG  OCM  H221  SING  N  N  427  
JSG  OCN  H222  SING  N  N  428  
JSG  OCV  H223  SING  N  N  429  
JSG  OCW  H224  SING  N  N  430  
JSG  OCZ  H225  SING  N  N  431  
JSG  ODI  H226  SING  N  N  432  
JSG  ODJ  H227  SING  N  N  433  
JSG  ODK  H228  SING  N  N  434  
JSG  ODM  H229  SING  N  N  435  
JSG  ODN  H230  SING  N  N  436  
JSG  OED  H231  SING  N  N  437  
JSG  OET  H232  SING  N  N  438  
JSG  OHD  H233  SING  N  N  439  
JSG  OHF  H234  SING  N  N  440  
JSG  OHH  H235  SING  N  N  441  
JSG  OHJ  H236  SING  N  N  442  
JSG  OHM  H237  SING  N  N  443  
JSG  OHN  H238  SING  N  N  444  
JSG  OHP  H239  SING  N  N  445  
JSG  OHR  H240  SING  N  N  446  
#   #
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
JSG  InChI             InChI                 1.03   "InChI=1S/C131H240N2O63P4/c1-7-13-19-25-31-37-38-44-50-56-62-68-98(149)180-85(66-60-54-48-42-35-29-23-17-11-5)72-100(151)184-119-102(133-96(147)71-84(65-59-53-47-41-34-28-22-16-10-4)179-97(148)67-61-55-49-43-36-30-24-18-12-6)123(177-80-93-104(153)118(183-99(150)70-83(139)64-58-52-46-40-33-27-21-15-9-3)101(124(181-93)196-200(173,174)175)132-95(146)69-82(138)63-57-51-45-39-32-26-20-14-8-2)182-94(117(119)193-197(164,165)166)81-178-130(128(160)161)74-92(190-131(129(162)163)73-86(140)103(152)112(191-131)88(142)76-135)116(115(192-130)90(144)78-137)188-127-110(159)120(122(195-199(170,171)172)113(186-127)89(143)77-136)189-126-109(158)107(156)121(194-198(167,168)169)114(187-126)91(145)79-176-125-108(157)105(154)106(155)111(185-125)87(141)75-134/h82-94,101-127,134-145,152-159H,7-81H2,1-6H3,(H,132,146)(H,133,147)(H,160,161)(H,162,163)(H2,164,165,166)(H2,167,168,169)(H2,170,171,172)(H2,173,174,175)/t82-,83-,84-,85-,86-,87+,88-,89+,90-,91+,92-,93-,94-,101-,102-,103-,104-,105+,106+,107-,108+,109+,110+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121+,122-,123-,124-,125+,126-,127-,130-,131-/m1/s1"  
JSG  InChIKey          InChI                 1.03   MVYTXVAKEAWEGM-SMTLFHDCSA-N  
JSG  SMILES_CANONICAL  CACTVS                3.385  "CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](O[P](O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]3(C[C@@H](O[C@@]4(C[C@@H](O)[C@@H](O)[C@H](O4)[C@H](O)CO)C(O)=O)[C@@H](O[C@H]5O[C@H]([C@@H](O)CO)[C@@H](O[P](O)(O)=O)[C@H](O[C@H]6O[C@H]([C@@H](O)CO[C@H]7O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]7O)[C@@H](O[P](O)(O)=O)[C@H](O)[C@@H]6O)[C@@H]5O)[C@H](O3)[C@H](O)CO)C(O)=O)[C@H]1O[P](O)(O)=O"  
JSG  SMILES            CACTVS                3.385  "CCCCCCCCCCCCCC(=O)O[CH](CCCCCCCCCCC)CC(=O)O[CH]1[CH](NC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[CH](OC[CH]2O[CH](O[P](O)(O)=O)[CH](NC(=O)C[CH](O)CCCCCCCCCCC)[CH](OC(=O)C[CH](O)CCCCCCCCCCC)[CH]2O)O[CH](CO[C]3(C[CH](O[C]4(C[CH](O)[CH](O)[CH](O4)[CH](O)CO)C(O)=O)[CH](O[CH]5O[CH]([CH](O)CO)[CH](O[P](O)(O)=O)[CH](O[CH]6O[CH]([CH](O)CO[CH]7O[CH]([CH](O)CO)[CH](O)[CH](O)[CH]7O)[CH](O[P](O)(O)=O)[CH](O)[CH]6O)[CH]5O)[CH](O3)[CH](O)CO)C(O)=O)[CH]1O[P](O)(O)=O"  
JSG  SMILES_CANONICAL  "OpenEye OEToolkits"  2.0.6  "CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@H](CO)O)OP(=O)(O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)[C@H](CO)O)O)O)O)O)OP(=O)(O)O)O)O)O)O[C@@]6(C[C@H]([C@H]([C@H](O6)[C@@H](CO)O)O)O)C(=O)O)C(=O)O)OC[C@@H]7[C@H]([C@@H]([C@H]([C@H](O7)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC"  
JSG  SMILES            "OpenEye OEToolkits"  2.0.6  "CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)COC2(CC(C(C(O2)C(CO)O)OC3C(C(C(C(O3)C(CO)O)OP(=O)(O)O)OC4C(C(C(C(O4)C(COC5C(C(C(C(O5)C(CO)O)O)O)O)O)OP(=O)(O)O)O)O)O)OC6(CC(C(C(O6)C(CO)O)O)O)C(=O)O)C(=O)O)OCC7C(C(C(C(O7)OP(=O)(O)O)NC(=O)CC(CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC"  
#
_pdbx_chem_comp_identifier.comp_id          JSG
_pdbx_chem_comp_identifier.type             "SYSTEMATIC NAME"
_pdbx_chem_comp_identifier.program          "OpenEye OEToolkits"
_pdbx_chem_comp_identifier.program_version  2.0.6
_pdbx_chem_comp_identifier.identifier       "(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-5-[(2~{S},3~{S},4~{R},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{R},5~{S},6~{R})-6-[(1~{S})-2-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanyl-ethyl]-3,4-bis(oxidanyl)-5-phosphonooxy-oxan-2-yl]oxy-3-oxidanyl-5-phosphonooxy-oxan-2-yl]oxy-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)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
JSG  "Create component"  2018-09-19  RCSB  
JSG  "Initial release"   2019-04-03  RCSB  
##
