data_ZR2
# 
_chem_comp.id                                    ZR2 
_chem_comp.name                                  "6-O-[(2R,3R)-3-hydroxy-20-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methyldotriacontyl]cyclopropyl}-2-pentadecylicosanoyl]-alpha-L-galactopyranose" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C78 H152 O9" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2023-03-22 
_chem_comp.pdbx_modified_date                    2023-09-15 
_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                        1234.036 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ZR2 
_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        8GLI 
_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 
ZR2 O4   O1   O 0 1 N N N -9.884  25.468 10.345 -14.179 1.260   2.666  O4   ZR2 1   
ZR2 O3   O2   O 0 1 N N N -7.799  22.420 9.436  -16.531 1.576   1.022  O3   ZR2 2   
ZR2 C16  C1   C 0 1 N N N -3.626  21.324 0.715  -28.453 4.714   -1.893 C16  ZR2 3   
ZR2 C15  C2   C 0 1 N N N -2.209  20.860 1.179  -29.186 6.055   -1.972 C15  ZR2 4   
ZR2 C14  C3   C 0 1 N N N -1.551  21.693 2.322  -30.685 5.806   -2.151 C14  ZR2 5   
ZR2 C13  C4   C 0 1 N N N -0.085  22.139 2.030  -31.418 7.147   -2.230 C13  ZR2 6   
ZR2 C18  C5   C 0 1 N N N -6.205  21.425 1.149  -26.220 3.622   -1.635 C18  ZR2 7   
ZR2 C17  C6   C 0 1 N N N -4.855  20.756 1.516  -26.954 4.963   -1.714 C17  ZR2 8   
ZR2 O2   O3   O 0 1 N N N -6.319  23.897 8.624  -18.711 1.511   1.377  O2   ZR2 9   
ZR2 O1   O4   O 0 1 N N N -5.519  20.686 8.576  -17.749 -1.587  0.322  O1   ZR2 10  
ZR2 C10  C7   C 0 1 N N N 2.139   24.196 2.201  -35.150 7.990   -2.667 C10  ZR2 11  
ZR2 C11  C8   C 0 1 N N N 1.555   23.560 3.497  -33.651 8.239   -2.488 C11  ZR2 12  
ZR2 C12  C9   C 0 1 N N N 0.872   22.176 3.258  -32.917 6.898   -2.409 C12  ZR2 13  
ZR2 C19  C10  C 0 1 N N N -7.138  21.731 2.340  -24.721 3.871   -1.456 C19  ZR2 14  
ZR2 C20  C11  C 0 1 N N N -7.511  20.495 3.203  -23.988 2.530   -1.377 C20  ZR2 15  
ZR2 C21  C12  C 0 1 N N N -8.963  20.517 3.805  -22.489 2.779   -1.198 C21  ZR2 16  
ZR2 C22  C13  C 0 1 N N N -9.407  21.856 4.420  -21.756 1.438   -1.119 C22  ZR2 17  
ZR2 C23  C14  C 0 1 N N N -9.162  21.980 5.966  -20.257 1.686   -0.940 C23  ZR2 18  
ZR2 C24  C15  C 0 1 N N N -7.918  21.227 6.564  -19.523 0.346   -0.861 C24  ZR2 19  
ZR2 C25  C16  C 0 1 N N R -6.749  22.119 7.105  -18.024 0.594   -0.682 C25  ZR2 20  
ZR2 C26  C17  C 0 1 N N R -5.430  21.236 7.271  -17.277 -0.740  -0.728 C26  ZR2 21  
ZR2 C27  C18  C 0 1 N N N -4.032  21.954 7.240  -15.778 -0.491  -0.549 C27  ZR2 22  
ZR2 C28  C19  C 0 1 N N N -3.027  21.598 8.386  -15.019 -1.809  -0.719 C28  ZR2 23  
ZR2 C29  C20  C 0 1 N N N -2.398  20.159 8.399  -13.520 -1.561  -0.540 C29  ZR2 24  
ZR2 C30  C21  C 0 1 N N N -0.839  20.081 8.290  -12.761 -2.878  -0.710 C30  ZR2 25  
ZR2 C31  C22  C 0 1 N N N -0.019  20.033 9.656  -11.262 -2.629  -0.531 C31  ZR2 26  
ZR2 C32  C23  C 0 1 N N N 1.039   21.180 9.799  -10.502 -3.947  -0.701 C32  ZR2 27  
ZR2 C33  C24  C 0 1 N N N 2.407   20.794 10.424 -9.003  -3.698  -0.522 C33  ZR2 28  
ZR2 C34  C25  C 0 1 N N N 2.348   20.106 11.814 -8.244  -5.016  -0.692 C34  ZR2 29  
ZR2 C35  C26  C 0 1 N N N 3.711   20.031 12.553 -6.745  -4.767  -0.513 C35  ZR2 30  
ZR2 C36  C27  C 0 1 N N N 3.646   19.248 13.890 -5.986  -6.085  -0.683 C36  ZR2 31  
ZR2 C37  C28  C 0 1 N N N 2.232   19.138 14.477 -4.487  -5.836  -0.504 C37  ZR2 32  
ZR2 C38  C29  C 0 1 N N N 2.107   19.611 15.960 -3.728  -7.154  -0.674 C38  ZR2 33  
ZR2 C39  C30  C 0 1 N N N 2.487   18.539 16.993 -2.229  -6.905  -0.495 C39  ZR2 34  
ZR2 C40  C31  C 0 1 N N N 1.293   17.905 17.755 -1.469  -8.223  -0.665 C40  ZR2 35  
ZR2 C41  C32  C 0 1 N N N 0.942   16.427 17.411 0.030   -7.974  -0.486 C41  ZR2 36  
ZR2 C42  C33  C 0 1 N N N 0.265   15.652 18.583 0.789   -9.292  -0.656 C42  ZR2 37  
ZR2 C43  C34  C 0 1 N N N -0.163  14.197 18.266 2.288   -9.043  -0.477 C43  ZR2 38  
ZR2 C44  C35  C 0 1 N N N 2.574   15.847 1.657  21.986  2.590   1.868  C44  ZR2 39  
ZR2 C45  C36  C 0 1 N N N -1.533  13.140 15.659 5.228   -8.934  -0.422 C45  ZR2 40  
ZR2 C46  C37  C 0 1 N N N -0.635  11.889 15.776 6.747   -9.070  -0.546 C46  ZR2 41  
ZR2 C47  C38  C 0 1 N N N -0.564  11.065 14.483 7.400   -7.700  -0.349 C47  ZR2 42  
ZR2 C48  C39  C 0 1 N N N -0.305  11.910 13.226 8.919   -7.836  -0.474 C48  ZR2 43  
ZR2 C49  C40  C 0 1 N N N 0.182   11.066 12.075 9.571   -6.466  -0.277 C49  ZR2 44  
ZR2 C50  C41  C 0 1 N N N -0.693  11.196 10.812 11.090  -6.602  -0.401 C50  ZR2 45  
ZR2 C51  C42  C 0 1 N N N -0.834  12.632 10.322 11.743  -5.233  -0.204 C51  ZR2 46  
ZR2 C52  C43  C 0 1 N N N -0.414  12.850 8.852  13.261  -5.368  -0.329 C52  ZR2 47  
ZR2 C53  C44  C 0 1 N N N -0.883  14.198 8.239  13.914  -3.999  -0.132 C53  ZR2 48  
ZR2 C54  C45  C 0 1 N N N 0.265   15.243 8.067  15.433  -4.135  -0.257 C54  ZR2 49  
ZR2 C55  C46  C 0 1 N N N 1.702   14.616 7.928  16.085  -2.765  -0.060 C55  ZR2 50  
ZR2 C56  C47  C 0 1 N N N 2.803   15.640 7.470  17.604  -2.901  -0.184 C56  ZR2 51  
ZR2 C57  C48  C 0 1 N N N 2.250   17.063 7.357  18.257  -1.531  0.013  C57  ZR2 52  
ZR2 C58  C49  C 0 1 N N N 1.943   17.490 5.932  19.775  -1.667  -0.112 C58  ZR2 53  
ZR2 C59  C50  C 0 1 N N N 3.208   17.730 5.098  20.428  -0.297  0.085  C59  ZR2 54  
ZR2 C60  C51  C 0 1 N N N 2.962   18.682 3.907  21.947  -0.433  -0.039 C60  ZR2 55  
ZR2 C61  C52  C 0 1 N N R 3.125   18.036 2.551  22.607  0.911   0.274  C61  ZR2 56  
ZR2 C62  C53  C 0 1 N N R 2.659   19.036 1.446  24.109  0.818   -0.001 C62  ZR2 57  
ZR2 C63  C54  C 0 1 N N N 3.445   18.784 0.123  24.753  2.189   0.218  C63  ZR2 58  
ZR2 C64  C55  C 0 1 N N N 2.637   18.454 -1.119 26.223  2.134   -0.203 C64  ZR2 59  
ZR2 C65  C56  C 0 1 N N N 3.486   17.821 -2.247 26.867  3.505   0.016  C65  ZR2 60  
ZR2 C66  C57  C 0 1 N N N 2.714   17.598 -3.562 28.337  3.450   -0.405 C66  ZR2 61  
ZR2 C67  C58  C 0 1 N N N 1.733   18.723 -3.939 28.982  4.821   -0.186 C67  ZR2 62  
ZR2 C68  C59  C 0 1 N N N 0.689   18.364 -5.043 30.451  4.766   -0.607 C68  ZR2 63  
ZR2 C69  C60  C 0 1 N N N 1.228   18.265 -6.505 31.096  6.137   -0.388 C69  ZR2 64  
ZR2 C70  C61  C 0 1 N N N 0.194   18.656 -7.630 32.566  6.082   -0.809 C70  ZR2 65  
ZR2 C71  C62  C 0 1 N N N -1.209  17.965 -7.587 33.210  7.453   -0.590 C71  ZR2 66  
ZR2 C72  C63  C 0 1 N N N -2.473  18.911 -7.458 34.680  7.398   -1.011 C72  ZR2 67  
ZR2 C73  C64  C 0 1 N N N -2.405  19.828 -6.190 35.324  8.769   -0.792 C73  ZR2 68  
ZR2 C74  C65  C 0 1 N N N -3.377  21.014 -6.135 36.794  8.714   -1.213 C74  ZR2 69  
ZR2 C75  C66  C 0 1 N N N -3.597  21.593 -4.705 37.438  10.085  -0.994 C75  ZR2 70  
ZR2 C76  C67  C 0 1 N N N -4.387  20.646 -3.736 38.908  10.031  -1.415 C76  ZR2 71  
ZR2 C80  C68  C 0 1 N N N -6.964  22.829 8.403  -17.781 1.261   0.648  C80  ZR2 72  
ZR2 C81  C69  C 0 1 N N N -8.955  23.161 9.918  -16.372 2.216   2.316  C81  ZR2 73  
ZR2 C82  C70  C 0 1 N N S -9.170  24.673 9.386  -14.889 2.497   2.566  C82  ZR2 74  
ZR2 C83  C71  C 0 1 N N S -9.934  24.701 7.991  -14.731 3.281   3.872  C83  ZR2 75  
ZR2 C84  C72  C 0 1 N N R -10.234 26.143 7.432  -13.241 3.506   4.146  C84  ZR2 76  
ZR2 C85  C73  C 0 1 N N S -10.887 27.011 8.584  -12.531 2.149   4.194  C85  ZR2 77  
ZR2 C86  C74  C 0 1 N N R -10.113 26.858 9.954  -12.774 1.409   2.876  C86  ZR2 78  
ZR2 C87  C75  C 0 1 N N N 1.142   18.973 1.266  24.739  -0.200  0.952  C87  ZR2 79  
ZR2 C91  C76  C 0 1 N N S -1.673  13.966 18.234 3.047   -10.360 -0.647 C91  ZR2 80  
ZR2 C92  C77  C 0 1 N N R -2.368  13.412 16.888 4.576   -10.304 -0.619 C92  ZR2 81  
ZR2 C93  C78  C 0 1 N N N -2.104  12.479 18.111 3.809   -10.898 0.565  C93  ZR2 82  
ZR2 O5   O5   O 0 1 N N N -8.801  27.386 9.802  -12.208 2.157   1.798  O5   ZR2 83  
ZR2 O6   O6   O 0 1 N N N -10.871 28.417 8.231  -11.128 2.350   4.377  O6   ZR2 84  
ZR2 O7   O7   O 0 1 N N N -11.183 26.027 6.368  -13.081 4.173   5.400  O7   ZR2 85  
ZR2 O8   O8   O 0 1 N N N -11.174 24.024 8.140  -15.308 2.538   4.947  O8   ZR2 86  
ZR2 O9   O9   O 0 1 N N N 2.244   16.925 2.567  22.393  1.238   1.648  O9   ZR2 87  
ZR2 H1   H1   H 0 1 N N N -3.658  22.421 0.790  -28.830 4.143   -1.045 H1   ZR2 88  
ZR2 H2   H2   H 0 1 N N N -3.747  21.024 -0.337 -28.621 4.154   -2.812 H2   ZR2 89  
ZR2 H3   H3   H 0 1 N N N -2.294  19.820 1.528  -29.018 6.615   -1.052 H3   ZR2 90  
ZR2 H4   H4   H 0 1 N N N -1.540  20.901 0.307  -28.808 6.626   -2.820 H4   ZR2 91  
ZR2 H5   H5   H 0 1 N N N -2.159  22.595 2.485  -30.853 5.246   -3.070 H5   ZR2 92  
ZR2 H6   H6   H 0 1 N N N -1.549  21.082 3.237  -31.062 5.235   -1.303 H6   ZR2 93  
ZR2 H7   H7   H 0 1 N N N 0.339   21.441 1.293  -31.250 7.707   -1.310 H7   ZR2 94  
ZR2 H8   H8   H 0 1 N N N -0.120  23.151 1.599  -31.041 7.718   -3.078 H8   ZR2 95  
ZR2 H9   H9   H 0 1 N N N -5.986  22.374 0.637  -26.598 3.051   -0.787 H9   ZR2 96  
ZR2 H10  H10  H 0 1 N N N -6.741  20.753 0.462  -26.388 3.062   -2.555 H10  ZR2 97  
ZR2 H11  H11  H 0 1 N N N -4.935  19.678 1.310  -26.576 5.534   -2.562 H11  ZR2 98  
ZR2 H12  H12  H 0 1 N N N -4.671  20.912 2.589  -26.786 5.523   -0.794 H12  ZR2 99  
ZR2 H13  H13  H 0 1 N N N -4.758  20.143 8.744  -17.624 -1.220  1.209  H13  ZR2 100 
ZR2 H14  H14  H 0 1 N N N 2.602   25.164 2.443  -35.672 8.946   -2.723 H14  ZR2 101 
ZR2 H15  H15  H 0 1 N N N 2.897   23.524 1.772  -35.318 7.430   -3.586 H15  ZR2 102 
ZR2 H16  H16  H 0 1 N N N 1.330   24.349 1.471  -35.527 7.419   -1.819 H16  ZR2 103 
ZR2 H17  H17  H 0 1 N N N 2.375   23.424 4.218  -33.273 8.810   -3.336 H17  ZR2 104 
ZR2 H18  H18  H 0 1 N N N 0.808   24.249 3.917  -33.482 8.800   -1.568 H18  ZR2 105 
ZR2 H19  H19  H 0 1 N N N 0.291   21.919 4.156  -33.085 6.338   -3.329 H19  ZR2 106 
ZR2 H20  H20  H 0 1 N N N 1.660   21.425 3.104  -33.295 6.327   -1.561 H20  ZR2 107 
ZR2 H21  H21  H 0 1 N N N -6.637  22.464 2.989  -24.344 4.442   -2.304 H21  ZR2 108 
ZR2 H22  H22  H 0 1 N N N -8.068  22.167 1.945  -24.553 4.431   -0.536 H22  ZR2 109 
ZR2 H23  H23  H 0 1 N N N -7.417  19.598 2.573  -24.365 1.959   -0.529 H23  ZR2 110 
ZR2 H24  H24  H 0 1 N N N -6.797  20.434 4.037  -24.156 1.969   -2.297 H24  ZR2 111 
ZR2 H25  H25  H 0 1 N N N -9.668  20.265 2.999  -22.111 3.350   -2.046 H25  ZR2 112 
ZR2 H26  H26  H 0 1 N N N -9.015  19.749 4.591  -22.321 3.339   -0.278 H26  ZR2 113 
ZR2 H27  H27  H 0 1 N N N -8.853  22.664 3.919  -22.133 0.867   -0.271 H27  ZR2 114 
ZR2 H28  H28  H 0 1 N N N -10.484 21.979 4.233  -21.924 0.877   -2.039 H28  ZR2 115 
ZR2 H29  H29  H 0 1 N N N -9.043  23.049 6.197  -19.879 2.258   -1.788 H29  ZR2 116 
ZR2 H30  H30  H 0 1 N N N -10.058 21.593 6.474  -20.089 2.247   -0.020 H30  ZR2 117 
ZR2 H31  H31  H 0 1 N N N -8.275  20.603 7.397  -19.901 -0.226  -0.013 H31  ZR2 118 
ZR2 H32  H32  H 0 1 N N N -7.507  20.582 5.773  -19.691 -0.215  -1.781 H32  ZR2 119 
ZR2 H33  H33  H 0 1 N N N -6.533  22.874 6.335  -17.665 1.240   -1.483 H33  ZR2 120 
ZR2 H34  H34  H 0 1 N N N -5.440  20.444 6.508  -17.453 -1.222  -1.690 H34  ZR2 121 
ZR2 H35  H35  H 0 1 N N N -3.550  21.701 6.284  -15.436 0.224   -1.297 H35  ZR2 122 
ZR2 H36  H36  H 0 1 N N N -4.214  23.038 7.283  -15.593 -0.092  0.448  H36  ZR2 123 
ZR2 H37  H37  H 0 1 N N N -2.196  22.317 8.327  -15.361 -2.524  0.029  H37  ZR2 124 
ZR2 H38  H38  H 0 1 N N N -3.559  21.730 9.340  -15.204 -2.209  -1.716 H38  ZR2 125 
ZR2 H39  H39  H 0 1 N N N -2.821  19.601 7.551  -13.178 -0.845  -1.288 H39  ZR2 126 
ZR2 H40  H40  H 0 1 N N N -2.692  19.673 9.341  -13.335 -1.161  0.457  H40  ZR2 127 
ZR2 H41  H41  H 0 1 N N N -0.591  19.172 7.722  -13.102 -3.593  0.038  H41  ZR2 128 
ZR2 H42  H42  H 0 1 N N N -0.501  20.966 7.731  -12.946 -3.278  -1.707 H42  ZR2 129 
ZR2 H43  H43  H 0 1 N N N -0.731  20.112 10.491 -10.920 -1.914  -1.279 H43  ZR2 130 
ZR2 H44  H44  H 0 1 N N N 0.506   19.068 9.712  -11.076 -2.230  0.466  H44  ZR2 131 
ZR2 H45  H45  H 0 1 N N N 1.233   21.581 8.793  -10.844 -4.662  0.047  H45  ZR2 132 
ZR2 H46  H46  H 0 1 N N N 0.595   21.966 10.428 -10.688 -4.347  -1.698 H46  ZR2 133 
ZR2 H47  H47  H 0 1 N N N 2.913   20.107 9.729  -8.662  -2.983  -1.270 H47  ZR2 134 
ZR2 H48  H48  H 0 1 N N N 3.001   21.714 10.528 -8.818  -3.298  0.475  H48  ZR2 135 
ZR2 H49  H49  H 0 1 N N N 1.645   20.668 12.446 -8.586  -5.731  0.056  H49  ZR2 136 
ZR2 H50  H50  H 0 1 N N N 1.976   19.080 11.674 -8.429  -5.416  -1.689 H50  ZR2 137 
ZR2 H51  H51  H 0 1 N N N 4.438   19.535 11.893 -6.403  -4.052  -1.261 H51  ZR2 138 
ZR2 H52  H52  H 0 1 N N N 4.049   21.056 12.766 -6.560  -4.367  0.484  H52  ZR2 139 
ZR2 H53  H53  H 0 1 N N N 4.029   18.232 13.715 -6.328  -6.800  0.065  H53  ZR2 140 
ZR2 H54  H54  H 0 1 N N N 4.287   19.760 14.623 -6.171  -6.485  -1.680 H54  ZR2 141 
ZR2 H55  H55  H 0 1 N N N 1.556   19.752 13.863 -4.145  -5.121  -1.252 H55  ZR2 142 
ZR2 H56  H56  H 0 1 N N N 1.920   18.085 14.425 -4.301  -5.436  0.493  H56  ZR2 143 
ZR2 H57  H57  H 0 1 N N N 2.768   20.479 16.103 -4.069  -7.869  0.073  H57  ZR2 144 
ZR2 H58  H58  H 0 1 N N N 1.064   19.911 16.141 -3.913  -7.554  -1.671 H58  ZR2 145 
ZR2 H59  H59  H 0 1 N N N 3.022   17.734 16.467 -1.887  -6.190  -1.243 H59  ZR2 146 
ZR2 H60  H60  H 0 1 N N N 3.156   19.001 17.733 -2.043  -6.505  0.502  H60  ZR2 147 
ZR2 H61  H61  H 0 1 N N N 1.523   17.950 18.830 -1.811  -8.938  0.083  H61  ZR2 148 
ZR2 H62  H62  H 0 1 N N N 0.403   18.516 17.544 -1.655  -8.623  -1.662 H62  ZR2 149 
ZR2 H63  H63  H 0 1 N N N 0.256   16.425 16.551 0.371   -7.259  -1.234 H63  ZR2 150 
ZR2 H64  H64  H 0 1 N N N 1.871   15.904 17.140 0.215   -7.574  0.511  H64  ZR2 151 
ZR2 H65  H65  H 0 1 N N N 0.975   15.620 19.422 0.447   -10.007 0.091  H65  ZR2 152 
ZR2 H66  H66  H 0 1 N N N -0.633  16.211 18.884 0.604   -9.691  -1.653 H66  ZR2 153 
ZR2 H67  H67  H 0 1 N N N 0.268   13.538 19.035 2.630   -8.328  -1.225 H67  ZR2 154 
ZR2 H68  H68  H 0 1 N N N 0.245   13.927 17.281 2.473   -8.643  0.520  H68  ZR2 155 
ZR2 H69  H69  H 0 1 N N N 1.829   15.044 1.753  21.749  2.732   2.922  H69  ZR2 156 
ZR2 H70  H70  H 0 1 N N N 2.573   16.226 0.624  22.794  3.264   1.583  H70  ZR2 157 
ZR2 H71  H71  H 0 1 N N N 3.571   15.453 1.902  21.104  2.806   1.265  H71  ZR2 158 
ZR2 H72  H72  H 0 1 N N N -0.889  14.013 15.478 4.978   -8.551  0.568  H72  ZR2 159 
ZR2 H73  H73  H 0 1 N N N -2.211  13.001 14.804 4.862   -8.244  -1.182 H73  ZR2 160 
ZR2 H74  H74  H 0 1 N N N -1.033  11.248 16.576 7.114   -9.760  0.214  H74  ZR2 161 
ZR2 H75  H75  H 0 1 N N N 0.383   12.214 16.038 6.998   -9.453  -1.536 H75  ZR2 162 
ZR2 H76  H76  H 0 1 N N N -1.520  10.536 14.355 7.033   -7.010  -1.109 H76  ZR2 163 
ZR2 H77  H77  H 0 1 N N N 0.250   10.332 14.583 7.149   -7.317  0.640  H77  ZR2 164 
ZR2 H78  H78  H 0 1 N N N 0.456   12.669 13.458 9.285   -8.526  0.286  H78  ZR2 165 
ZR2 H79  H79  H 0 1 N N N -1.241  12.407 12.932 9.169   -8.219  -1.463 H79  ZR2 166 
ZR2 H80  H80  H 0 1 N N N 0.185   10.012 12.391 9.204   -5.776  -1.037 H80  ZR2 167 
ZR2 H81  H81  H 0 1 N N N 1.207   11.376 11.823 9.321   -6.084  0.713  H81  ZR2 168 
ZR2 H82  H82  H 0 1 N N N -1.695  10.805 11.040 11.457  -7.292  0.358  H82  ZR2 169 
ZR2 H83  H83  H 0 1 N N N -0.239  10.596 10.009 11.340  -6.985  -1.391 H83  ZR2 170 
ZR2 H84  H84  H 0 1 N N N -0.208  13.275 10.958 11.376  -4.543  -0.964 H84  ZR2 171 
ZR2 H85  H85  H 0 1 N N N -1.888  12.929 10.426 11.492  -4.850  0.785  H85  ZR2 172 
ZR2 H86  H86  H 0 1 N N N -0.838  12.033 8.249  13.628  -6.058  0.431  H86  ZR2 173 
ZR2 H87  H87  H 0 1 N N N 0.684   12.813 8.800  13.512  -5.751  -1.319 H87  ZR2 174 
ZR2 H88  H88  H 0 1 N N N -1.651  14.631 8.898  13.547  -3.309  -0.892 H88  ZR2 175 
ZR2 H89  H89  H 0 1 N N N -1.320  13.996 7.250  13.663  -3.616  0.858  H89  ZR2 176 
ZR2 H90  H90  H 0 1 N N N 0.262   15.904 8.946  15.799  -4.825  0.503  H90  ZR2 177 
ZR2 H91  H91  H 0 1 N N N 0.059   15.834 7.163  15.683  -4.517  -1.246 H91  ZR2 178 
ZR2 H92  H92  H 0 1 N N N 1.655   13.804 7.188  15.719  -2.075  -0.819 H92  ZR2 179 
ZR2 H93  H93  H 0 1 N N N 1.996   14.205 8.905  15.835  -2.382  0.930  H93  ZR2 180 
ZR2 H94  H94  H 0 1 N N N 3.190   15.330 6.488  17.971  -3.591  0.576  H94  ZR2 181 
ZR2 H95  H95  H 0 1 N N N 3.621   15.634 8.205  17.854  -3.283  -1.174 H95  ZR2 182 
ZR2 H96  H96  H 0 1 N N N 2.993   17.758 7.775  17.890  -0.841  -0.747 H96  ZR2 183 
ZR2 H97  H97  H 0 1 N N N 1.322   17.122 7.944  18.006  -1.148  1.002  H97  ZR2 184 
ZR2 H98  H98  H 0 1 N N N 1.360   18.422 5.962  20.142  -2.357  0.648  H98  ZR2 185 
ZR2 H99  H99  H 0 1 N N N 1.348   16.701 5.449  20.026  -2.050  -1.101 H99  ZR2 186 
ZR2 H100 H100 H 0 0 N N N 3.562   16.764 4.709  20.061  0.393   -0.675 H100 ZR2 187 
ZR2 H101 H101 H 0 0 N N N 3.980   18.170 5.747  20.177  0.085   1.075  H101 ZR2 188 
ZR2 H102 H102 H 0 0 N N N 3.676   19.516 3.979  22.303  -1.186  0.664  H102 ZR2 189 
ZR2 H103 H103 H 0 0 N N N 1.936   19.070 3.983  22.202  -0.735  -1.055 H103 ZR2 190 
ZR2 H104 H104 H 0 0 N N N 4.170   17.740 2.380  22.170  1.686   -0.356 H104 ZR2 191 
ZR2 H105 H105 H 0 0 N N N 2.914   20.049 1.792  24.271  0.501   -1.031 H105 ZR2 192 
ZR2 H106 H106 H 0 0 N N N 4.132   17.944 0.302  24.231  2.935   -0.380 H106 ZR2 193 
ZR2 H107 H107 H 0 0 N N N 4.026   19.693 -0.093 24.687  2.457   1.273  H107 ZR2 194 
ZR2 H108 H108 H 0 0 N N N 2.186   19.382 -1.500 26.745  1.388   0.396  H108 ZR2 195 
ZR2 H109 H109 H 0 0 N N N 1.842   17.747 -0.841 26.289  1.866   -1.257 H109 ZR2 196 
ZR2 H110 H110 H 0 0 N N N 3.858   16.848 -1.895 26.345  4.251   -0.582 H110 ZR2 197 
ZR2 H111 H111 H 0 0 N N N 4.337   18.486 -2.454 26.801  3.773   1.071  H111 ZR2 198 
ZR2 H112 H112 H 0 0 N N N 2.142   16.663 -3.467 28.859  2.704   0.194  H112 ZR2 199 
ZR2 H113 H113 H 0 0 N N N 3.447   17.498 -4.376 28.403  3.182   -1.459 H113 ZR2 200 
ZR2 H114 H114 H 0 0 N N N 2.322   19.581 -4.296 28.459  5.567   -0.784 H114 ZR2 201 
ZR2 H115 H115 H 0 0 N N N 1.181   19.010 -3.032 28.915  5.089   0.869  H115 ZR2 202 
ZR2 H116 H116 H 0 0 N N N -0.094  19.137 -5.027 30.973  4.020   -0.008 H116 ZR2 203 
ZR2 H117 H117 H 0 0 N N N 0.248   17.390 -4.782 30.518  4.498   -1.661 H117 ZR2 204 
ZR2 H118 H118 H 0 0 N N N 1.546   17.227 -6.681 30.574  6.883   -0.986 H118 ZR2 205 
ZR2 H119 H119 H 0 0 N N N 2.096   18.934 -6.594 31.029  6.405   0.666  H119 ZR2 206 
ZR2 H120 H120 H 0 0 N N N 0.653   18.412 -8.600 33.088  5.336   -0.210 H120 ZR2 207 
ZR2 H121 H121 H 0 0 N N N 0.030   19.742 -7.565 32.632  5.814   -1.863 H121 ZR2 208 
ZR2 H122 H122 H 0 0 N N N -1.322  17.385 -8.515 32.688  8.199   -1.188 H122 ZR2 209 
ZR2 H123 H123 H 0 0 N N N -1.216  17.282 -6.725 33.144  7.721   0.464  H123 ZR2 210 
ZR2 H124 H124 H 0 0 N N N -2.530  19.549 -8.353 35.202  6.652   -0.412 H124 ZR2 211 
ZR2 H125 H125 H 0 0 N N N -3.377  18.287 -7.395 34.746  7.130   -2.065 H125 ZR2 212 
ZR2 H126 H126 H 0 0 N N N -2.603  19.196 -5.312 34.802  9.515   -1.390 H126 ZR2 213 
ZR2 H127 H127 H 0 0 N N N -1.384  20.233 -6.127 35.258  9.037   0.262  H127 ZR2 214 
ZR2 H128 H128 H 0 0 N N N -2.980  21.816 -6.775 37.316  7.968   -0.615 H128 ZR2 215 
ZR2 H129 H129 H 0 0 N N N -4.350  20.681 -6.526 36.860  8.446   -2.267 H129 ZR2 216 
ZR2 H130 H130 H 0 0 N N N -2.611  21.795 -4.260 36.916  10.832  -1.593 H130 ZR2 217 
ZR2 H131 H131 H 0 0 N N N -4.157  22.535 -4.798 37.372  10.353  0.060  H131 ZR2 218 
ZR2 H132 H132 H 0 0 N N N -4.495  21.132 -2.755 39.367  11.007  -1.259 H132 ZR2 219 
ZR2 H133 H133 H 0 0 N N N -5.383  20.441 -4.155 39.430  9.284   -0.817 H133 ZR2 220 
ZR2 H134 H134 H 0 0 N N N -3.837  19.701 -3.618 38.974  9.762   -2.470 H134 ZR2 221 
ZR2 H135 H135 H 0 0 N N N -8.878  23.209 11.014 -16.926 3.154   2.328  H135 ZR2 222 
ZR2 H136 H136 H 0 0 N N N -9.850  22.586 9.638  -16.753 1.558   3.096  H136 ZR2 223 
ZR2 H137 H137 H 0 0 N N N -8.171  25.105 9.224  -14.485 3.082   1.740  H137 ZR2 224 
ZR2 H138 H138 H 0 0 N N N -9.307  24.177 7.255  -15.235 4.243   3.782  H138 ZR2 225 
ZR2 H139 H139 H 0 0 N N N -9.298  26.615 7.097  -12.811 4.114   3.351  H139 ZR2 226 
ZR2 H140 H140 H 0 0 N N N -11.922 26.670 8.730  -12.927 1.560   5.021  H140 ZR2 227 
ZR2 H141 H141 H 0 0 N N N -10.667 27.393 10.739 -12.307 0.425   2.920  H141 ZR2 228 
ZR2 H142 H142 H 0 0 N N N 0.650   19.158 2.232  24.280  -1.176  0.796  H142 ZR2 229 
ZR2 H143 H143 H 0 0 N N N 0.827   19.738 0.541  25.810  -0.266  0.757  H143 ZR2 230 
ZR2 H144 H144 H 0 0 N N N 0.858   17.977 0.895  24.577  0.118   1.982  H144 ZR2 231 
ZR2 H145 H145 H 0 0 N N N -2.298  14.615 18.864 2.583   -11.088 -1.313 H145 ZR2 232 
ZR2 H146 H146 H 0 0 N N N -3.410  13.727 16.730 5.118   -10.994 -1.265 H146 ZR2 233 
ZR2 H147 H147 H 0 0 N N N -2.953  12.108 18.705 3.770   -10.314 1.484  H147 ZR2 234 
ZR2 H148 H148 H 0 0 N N N -1.336  11.695 18.040 3.847   -11.980 0.697  H148 ZR2 235 
ZR2 H149 H149 H 0 0 N N N -8.327  27.299 10.621 -12.324 1.746   0.930  H149 ZR2 236 
ZR2 H150 H150 H 0 0 N N N -11.265 28.924 8.931  -10.615 1.531   4.416  H150 ZR2 237 
ZR2 H151 H151 H 0 0 N N N -11.375 26.889 6.019  -12.161 4.348   5.638  H151 ZR2 238 
ZR2 H152 H152 H 0 0 N N N -11.019 23.149 8.477  -15.244 2.976   5.807  H152 ZR2 239 
# 
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 
ZR2 C70 C71  SING N N 1   
ZR2 C70 C69  SING N N 2   
ZR2 C71 C72  SING N N 3   
ZR2 C72 C73  SING N N 4   
ZR2 C69 C68  SING N N 5   
ZR2 C73 C74  SING N N 6   
ZR2 C74 C75  SING N N 7   
ZR2 C68 C67  SING N N 8   
ZR2 C75 C76  SING N N 9   
ZR2 C67 C66  SING N N 10  
ZR2 C66 C65  SING N N 11  
ZR2 C65 C64  SING N N 12  
ZR2 C64 C63  SING N N 13  
ZR2 C63 C62  SING N N 14  
ZR2 C16 C15  SING N N 15  
ZR2 C16 C17  SING N N 16  
ZR2 C18 C17  SING N N 17  
ZR2 C18 C19  SING N N 18  
ZR2 C15 C14  SING N N 19  
ZR2 C87 C62  SING N N 20  
ZR2 C62 C61  SING N N 21  
ZR2 C44 O9   SING N N 22  
ZR2 C13 C14  SING N N 23  
ZR2 C13 C12  SING N N 24  
ZR2 C10 C11  SING N N 25  
ZR2 C19 C20  SING N N 26  
ZR2 C61 O9   SING N N 27  
ZR2 C61 C60  SING N N 28  
ZR2 C20 C21  SING N N 29  
ZR2 C12 C11  SING N N 30  
ZR2 C21 C22  SING N N 31  
ZR2 C60 C59  SING N N 32  
ZR2 C22 C23  SING N N 33  
ZR2 C59 C58  SING N N 34  
ZR2 C58 C57  SING N N 35  
ZR2 C23 C24  SING N N 36  
ZR2 O7  C84  SING N N 37  
ZR2 C24 C25  SING N N 38  
ZR2 C25 C26  SING N N 39  
ZR2 C25 C80  SING N N 40  
ZR2 C27 C26  SING N N 41  
ZR2 C27 C28  SING N N 42  
ZR2 C26 O1   SING N N 43  
ZR2 C57 C56  SING N N 44  
ZR2 C84 C83  SING N N 45  
ZR2 C84 C85  SING N N 46  
ZR2 C56 C55  SING N N 47  
ZR2 C55 C54  SING N N 48  
ZR2 C83 O8   SING N N 49  
ZR2 C83 C82  SING N N 50  
ZR2 C54 C53  SING N N 51  
ZR2 O6  C85  SING N N 52  
ZR2 C53 C52  SING N N 53  
ZR2 C30 C29  SING N N 54  
ZR2 C30 C31  SING N N 55  
ZR2 C28 C29  SING N N 56  
ZR2 C80 O2   DOUB N N 57  
ZR2 C80 O3   SING N N 58  
ZR2 C85 C86  SING N N 59  
ZR2 C52 C51  SING N N 60  
ZR2 C82 C81  SING N N 61  
ZR2 C82 O4   SING N N 62  
ZR2 O3  C81  SING N N 63  
ZR2 C31 C32  SING N N 64  
ZR2 C32 C33  SING N N 65  
ZR2 O5  C86  SING N N 66  
ZR2 C86 O4   SING N N 67  
ZR2 C51 C50  SING N N 68  
ZR2 C33 C34  SING N N 69  
ZR2 C50 C49  SING N N 70  
ZR2 C34 C35  SING N N 71  
ZR2 C49 C48  SING N N 72  
ZR2 C35 C36  SING N N 73  
ZR2 C48 C47  SING N N 74  
ZR2 C36 C37  SING N N 75  
ZR2 C37 C38  SING N N 76  
ZR2 C47 C46  SING N N 77  
ZR2 C45 C46  SING N N 78  
ZR2 C45 C92  SING N N 79  
ZR2 C38 C39  SING N N 80  
ZR2 C92 C93  SING N N 81  
ZR2 C92 C91  SING N N 82  
ZR2 C39 C40  SING N N 83  
ZR2 C41 C40  SING N N 84  
ZR2 C41 C42  SING N N 85  
ZR2 C93 C91  SING N N 86  
ZR2 C91 C43  SING N N 87  
ZR2 C43 C42  SING N N 88  
ZR2 C16 H1   SING N N 89  
ZR2 C16 H2   SING N N 90  
ZR2 C15 H3   SING N N 91  
ZR2 C15 H4   SING N N 92  
ZR2 C14 H5   SING N N 93  
ZR2 C14 H6   SING N N 94  
ZR2 C13 H7   SING N N 95  
ZR2 C13 H8   SING N N 96  
ZR2 C18 H9   SING N N 97  
ZR2 C18 H10  SING N N 98  
ZR2 C17 H11  SING N N 99  
ZR2 C17 H12  SING N N 100 
ZR2 O1  H13  SING N N 101 
ZR2 C10 H14  SING N N 102 
ZR2 C10 H15  SING N N 103 
ZR2 C10 H16  SING N N 104 
ZR2 C11 H17  SING N N 105 
ZR2 C11 H18  SING N N 106 
ZR2 C12 H19  SING N N 107 
ZR2 C12 H20  SING N N 108 
ZR2 C19 H21  SING N N 109 
ZR2 C19 H22  SING N N 110 
ZR2 C20 H23  SING N N 111 
ZR2 C20 H24  SING N N 112 
ZR2 C21 H25  SING N N 113 
ZR2 C21 H26  SING N N 114 
ZR2 C22 H27  SING N N 115 
ZR2 C22 H28  SING N N 116 
ZR2 C23 H29  SING N N 117 
ZR2 C23 H30  SING N N 118 
ZR2 C24 H31  SING N N 119 
ZR2 C24 H32  SING N N 120 
ZR2 C25 H33  SING N N 121 
ZR2 C26 H34  SING N N 122 
ZR2 C27 H35  SING N N 123 
ZR2 C27 H36  SING N N 124 
ZR2 C28 H37  SING N N 125 
ZR2 C28 H38  SING N N 126 
ZR2 C29 H39  SING N N 127 
ZR2 C29 H40  SING N N 128 
ZR2 C30 H41  SING N N 129 
ZR2 C30 H42  SING N N 130 
ZR2 C31 H43  SING N N 131 
ZR2 C31 H44  SING N N 132 
ZR2 C32 H45  SING N N 133 
ZR2 C32 H46  SING N N 134 
ZR2 C33 H47  SING N N 135 
ZR2 C33 H48  SING N N 136 
ZR2 C34 H49  SING N N 137 
ZR2 C34 H50  SING N N 138 
ZR2 C35 H51  SING N N 139 
ZR2 C35 H52  SING N N 140 
ZR2 C36 H53  SING N N 141 
ZR2 C36 H54  SING N N 142 
ZR2 C37 H55  SING N N 143 
ZR2 C37 H56  SING N N 144 
ZR2 C38 H57  SING N N 145 
ZR2 C38 H58  SING N N 146 
ZR2 C39 H59  SING N N 147 
ZR2 C39 H60  SING N N 148 
ZR2 C40 H61  SING N N 149 
ZR2 C40 H62  SING N N 150 
ZR2 C41 H63  SING N N 151 
ZR2 C41 H64  SING N N 152 
ZR2 C42 H65  SING N N 153 
ZR2 C42 H66  SING N N 154 
ZR2 C43 H67  SING N N 155 
ZR2 C43 H68  SING N N 156 
ZR2 C44 H69  SING N N 157 
ZR2 C44 H70  SING N N 158 
ZR2 C44 H71  SING N N 159 
ZR2 C45 H72  SING N N 160 
ZR2 C45 H73  SING N N 161 
ZR2 C46 H74  SING N N 162 
ZR2 C46 H75  SING N N 163 
ZR2 C47 H76  SING N N 164 
ZR2 C47 H77  SING N N 165 
ZR2 C48 H78  SING N N 166 
ZR2 C48 H79  SING N N 167 
ZR2 C49 H80  SING N N 168 
ZR2 C49 H81  SING N N 169 
ZR2 C50 H82  SING N N 170 
ZR2 C50 H83  SING N N 171 
ZR2 C51 H84  SING N N 172 
ZR2 C51 H85  SING N N 173 
ZR2 C52 H86  SING N N 174 
ZR2 C52 H87  SING N N 175 
ZR2 C53 H88  SING N N 176 
ZR2 C53 H89  SING N N 177 
ZR2 C54 H90  SING N N 178 
ZR2 C54 H91  SING N N 179 
ZR2 C55 H92  SING N N 180 
ZR2 C55 H93  SING N N 181 
ZR2 C56 H94  SING N N 182 
ZR2 C56 H95  SING N N 183 
ZR2 C57 H96  SING N N 184 
ZR2 C57 H97  SING N N 185 
ZR2 C58 H98  SING N N 186 
ZR2 C58 H99  SING N N 187 
ZR2 C59 H100 SING N N 188 
ZR2 C59 H101 SING N N 189 
ZR2 C60 H102 SING N N 190 
ZR2 C60 H103 SING N N 191 
ZR2 C61 H104 SING N N 192 
ZR2 C62 H105 SING N N 193 
ZR2 C63 H106 SING N N 194 
ZR2 C63 H107 SING N N 195 
ZR2 C64 H108 SING N N 196 
ZR2 C64 H109 SING N N 197 
ZR2 C65 H110 SING N N 198 
ZR2 C65 H111 SING N N 199 
ZR2 C66 H112 SING N N 200 
ZR2 C66 H113 SING N N 201 
ZR2 C67 H114 SING N N 202 
ZR2 C67 H115 SING N N 203 
ZR2 C68 H116 SING N N 204 
ZR2 C68 H117 SING N N 205 
ZR2 C69 H118 SING N N 206 
ZR2 C69 H119 SING N N 207 
ZR2 C70 H120 SING N N 208 
ZR2 C70 H121 SING N N 209 
ZR2 C71 H122 SING N N 210 
ZR2 C71 H123 SING N N 211 
ZR2 C72 H124 SING N N 212 
ZR2 C72 H125 SING N N 213 
ZR2 C73 H126 SING N N 214 
ZR2 C73 H127 SING N N 215 
ZR2 C74 H128 SING N N 216 
ZR2 C74 H129 SING N N 217 
ZR2 C75 H130 SING N N 218 
ZR2 C75 H131 SING N N 219 
ZR2 C76 H132 SING N N 220 
ZR2 C76 H133 SING N N 221 
ZR2 C76 H134 SING N N 222 
ZR2 C81 H135 SING N N 223 
ZR2 C81 H136 SING N N 224 
ZR2 C82 H137 SING N N 225 
ZR2 C83 H138 SING N N 226 
ZR2 C84 H139 SING N N 227 
ZR2 C85 H140 SING N N 228 
ZR2 C86 H141 SING N N 229 
ZR2 C87 H142 SING N N 230 
ZR2 C87 H143 SING N N 231 
ZR2 C87 H144 SING N N 232 
ZR2 C91 H145 SING N N 233 
ZR2 C92 H146 SING N N 234 
ZR2 C93 H147 SING N N 235 
ZR2 C93 H148 SING N N 236 
ZR2 O5  H149 SING N N 237 
ZR2 O6  H150 SING N N 238 
ZR2 O7  H151 SING N N 239 
ZR2 O8  H152 SING N N 240 
# 
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 
ZR2 SMILES           ACDLabs              12.01 "OC1C(O)C(COC(=O)C(CCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCC)OC(O)C1O"                                                                                                                                                                                                                                                           
ZR2 InChI            InChI                1.06  "InChI=1S/C78H152O9/c1-5-7-9-11-13-15-17-24-32-38-44-50-56-62-70(77(83)86-66-73-74(80)75(81)76(82)78(84)87-73)71(79)63-57-51-45-39-33-27-21-19-20-25-30-36-42-48-54-60-68-65-69(68)61-55-49-43-37-31-26-22-23-28-34-40-46-52-58-64-72(85-4)67(3)59-53-47-41-35-29-18-16-14-12-10-8-6-2/h67-76,78-82,84H,5-66H2,1-4H3/t67-,68-,69+,70-,71-,72-,73+,74-,75-,76+,78-/m1/s1" 
ZR2 InChIKey         InChI                1.06  ALFANZHAIQQPQB-RYNSOJLXSA-N                                                                                                                                                                                                                                                                                                                                              
ZR2 SMILES_CANONICAL CACTVS               3.385 "CCCCCCCCCCCCCCC[C@H]([C@H](O)CCCCCCCCCCCCCCCCC[C@@H]1C[C@@H]1CCCCCCCCCCCCCCCC[C@@H](OC)[C@H](C)CCCCCCCCCCCCCC)C(=O)OC[C@@H]2O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2O"                                                                                                                                                                                                        
ZR2 SMILES           CACTVS               3.385 "CCCCCCCCCCCCCCC[CH]([CH](O)CCCCCCCCCCCCCCCCC[CH]1C[CH]1CCCCCCCCCCCCCCCC[CH](OC)[CH](C)CCCCCCCCCCCCCC)C(=O)OC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O"                                                                                                                                                                                                                          
ZR2 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCCCCC[C@@H]1C[C@@H]1CCCCCCCCCCCCCCCC[C@H]([C@H](C)CCCCCCCCCCCCCC)OC)O)C(=O)OC[C@H]2[C@H]([C@H]([C@@H]([C@@H](O2)O)O)O)O"                                                                                                                                                                                                        
ZR2 SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCC)OC)O)C(=O)OCC2C(C(C(C(O2)O)O)O)O"                                                                                                                                                                                                                                                         
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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 
ZR2 "SYSTEMATIC NAME" ACDLabs              12.01 "6-O-[(2R,3R)-3-hydroxy-20-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methyldotriacontyl]cyclopropyl}-2-pentadecylicosanoyl]-alpha-L-galactopyranose"                                                                     
ZR2 "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "[(2~{S},3~{S},4~{R},5~{S},6~{R})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl (2~{R},3~{R})-20-[(1~{R},2~{S})-2-[(17~{R},18~{R})-17-methoxy-18-methyl-dotriacontyl]cyclopropyl]-3-oxidanyl-2-pentadecyl-icosanoate" 
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loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
ZR2 "Create component" 2023-03-22 RCSB 
ZR2 "Initial release"  2023-09-20 RCSB 
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