data_CDN
# 
_chem_comp.id                                    CDN 
_chem_comp.name                                  CARDIOLIPIN 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C58 H120 O17 P2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2003-01-20 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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                        1151.511 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     CDN 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        2AD0,1NEK 
_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 
CDN PB2  PB2  P 0 1 N N S 74.409 88.129  73.877 -3.492  -2.435 4.257   PB2  CDN 1   
CDN O1   O1   O 0 1 N N N 77.917 88.336  71.445 -0.793  -1.432 1.068   O1   CDN 2   
CDN OB5  OB5  O 0 1 N N N 74.211 88.319  75.484 -2.927  -2.540 5.761   OB5  CDN 3   
CDN OB2  OB2  O 0 1 N N N 76.030 88.282  73.699 -2.267  -2.525 3.216   OB2  CDN 4   
CDN OB3  OB3  O 0 1 N N N 73.719 89.255  73.188 -4.255  -1.030 4.067   OB3  CDN 5   
CDN OB4  OB4  O 0 1 N N N 74.048 86.732  73.523 -4.436  -3.547 4.006   OB4  CDN 6   
CDN CB2  CB2  C 0 1 N N N 76.507 89.425  73.019 -2.830  -2.427 1.906   CB2  CDN 7   
CDN C1   C1   C 0 1 N N S 76.712 89.044  71.547 -1.713  -2.506 0.863   C1   CDN 8   
CDN CB3  CB3  C 0 1 N N N 72.910 88.108  75.998 -4.055  -2.454 6.633   CB3  CDN 9   
CDN CB4  CB4  C 0 1 N N R 73.021 87.436  77.372 -3.585  -2.548 8.086   CB4  CDN 10  
CDN CB6  CB6  C 0 1 N N N 73.618 86.033  77.216 -2.871  -3.883 8.306   CB6  CDN 11  
CDN OB8  OB8  O 0 1 N N N 72.607 85.100  77.525 -1.742  -3.969 7.434   OB8  CDN 12  
CDN OB9  OB9  O 0 1 N N N 74.265 83.325  77.304 -0.711  -5.295 9.053   OB9  CDN 13  
CDN CB7  CB7  C 0 1 N N S 73.098 83.670  77.383 -1.121  -5.231 7.685   CB7  CDN 14  
CDN C71  C71  C 0 1 N N N 71.903 82.733  77.346 0.101   -5.387 6.778   C71  CDN 15  
CDN C72  C72  C 0 1 N N N 71.939 81.773  78.532 0.766   -6.738 7.048   C72  CDN 16  
CDN C73  C73  C 0 1 N N N 70.544 81.611  79.132 1.989   -6.894 6.141   C73  CDN 17  
CDN C74  C74  C 0 1 N N N 70.625 80.642  80.316 2.654   -8.245 6.411   C74  CDN 18  
CDN C75  C75  C 0 1 N N N 69.251 80.455  80.945 3.877   -8.402 5.504   C75  CDN 19  
CDN OB6  OB6  O 0 1 N N N 73.884 88.204  78.178 -2.684  -1.474 8.365   OB6  CDN 20  
CDN OB7  OB7  O 0 1 N N N 72.374 87.912  80.075 -2.502  -2.316 10.534  OB7  CDN 21  
CDN CB5  CB5  C 0 1 N N R 73.265 88.532  79.533 -2.828  -1.165 9.753   CB5  CDN 22  
CDN C51  C51  C 0 1 N N N 73.941 89.757  80.110 -1.886  -0.016 10.120  C51  CDN 23  
CDN C52  C52  C 0 1 N N N 73.951 89.691  81.630 -2.040  0.314  11.606  C52  CDN 24  
CDN C53  C53  C 0 1 N N N 74.634 90.923  82.177 -1.097  1.462  11.972  C53  CDN 25  
CDN C54  C54  C 0 1 N N N 74.646 90.860  83.694 -1.251  1.794  13.458  C54  CDN 26  
CDN C55  C55  C 0 1 N N N 75.334 92.100  84.232 -0.309  2.942  13.825  C55  CDN 27  
CDN C56  C56  C 0 1 N N N 75.199 92.129  85.744 -0.463  3.273  15.311  C56  CDN 28  
CDN C57  C57  C 0 1 N N N 74.991 93.568  86.222 0.478   4.421  15.678  C57  CDN 29  
CDN C58  C58  C 0 1 N N N 73.522 93.784  86.569 0.324   4.753  17.163  C58  CDN 30  
CDN C59  C59  C 0 1 N N N 73.225 93.236  87.965 1.266   5.901  17.530  C59  CDN 31  
CDN C60  C60  C 0 1 N N N 71.754 93.451  88.306 1.112   6.232  19.016  C60  CDN 32  
CDN C61  C61  C 0 1 N N N 71.002 92.126  88.204 2.055   7.380  19.383  C61  CDN 33  
CDN C62  C62  C 0 1 N N N 69.533 92.339  88.553 1.901   7.712  20.868  C62  CDN 34  
CDN C63  C63  C 0 1 N N N 69.256 91.785  89.951 2.843   8.860  21.235  C63  CDN 35  
CDN C64  C64  C 0 1 N N N 67.982 90.949  89.933 2.689   9.191  22.721  C64  CDN 36  
CDN PA1  PA1  P 0 1 N N R 77.705 92.684  70.433 -1.976  -2.358 -2.956  PA1  CDN 37  
CDN OA5  OA5  O 0 1 N N N 78.505 93.633  71.486 -0.852  -2.434 -4.107  OA5  CDN 38  
CDN OA2  OA2  O 0 1 N N N 77.491 91.316  71.284 -1.273  -2.475 -1.512  OA2  CDN 39  
CDN OA4  OA4  O 0 1 N N N 78.591 92.394  69.277 -2.936  -3.471 -3.129  OA4  CDN 40  
CDN OA3  OA3  O 0 1 N N N 76.372 93.292  70.193 -2.757  -0.954 -3.061  OA3  CDN 41  
CDN CA2  CA2  C 0 1 N N N 76.811 90.270  70.624 -2.316  -2.401 -0.538  CA2  CDN 42  
CDN CA3  CA3  C 0 1 N N N 78.881 94.903  71.009 -1.535  -2.326 -5.358  CA3  CDN 43  
CDN CA4  CA4  C 0 1 N N R 79.612 95.640  72.136 -0.519  -2.392 -6.500  CA4  CDN 44  
CDN CA6  CA6  C 0 1 N N N 80.101 97.015  71.636 -1.250  -2.276 -7.839  CA6  CDN 45  
CDN OA8  OA8  O 0 1 N N N 79.014 97.868  71.347 -1.948  -1.030 -7.894  OA8  CDN 46  
CDN OA9  OA9  O 0 1 N N N 80.457 99.822  71.100 -1.635  -1.065 -10.206 OA9  CDN 47  
CDN CA7  CA7  C 0 1 N N S 79.435 99.324  71.532 -2.607  -0.982 -9.162  CA7  CDN 48  
CDN C31  C31  C 0 1 N N N 78.392 100.060 72.340 -3.378  0.333  -9.286  C31  CDN 49  
CDN C32  C32  C 0 1 N N N 78.789 100.066 73.812 -4.082  0.385  -10.643 C32  CDN 50  
CDN C33  C33  C 0 1 N N N 77.720 100.780 74.614 -4.853  1.701  -10.767 C33  CDN 51  
CDN C34  C34  C 0 1 N N N 78.080 100.778 76.090 -5.558  1.753  -12.124 C34  CDN 52  
CDN C35  C35  C 0 1 N N N 76.958 101.473 76.843 -6.329  3.069  -12.248 C35  CDN 53  
CDN C36  C36  C 0 1 N N N 77.218 101.503 78.341 -7.034  3.121  -13.605 C36  CDN 54  
CDN C37  C37  C 0 1 N N N 76.032 102.198 78.997 -7.805  4.437  -13.729 C37  CDN 55  
CDN C38  C38  C 0 1 N N N 76.447 102.842 80.307 -8.510  4.489  -15.086 C38  CDN 56  
CDN C39  C39  C 0 1 N N N 75.234 103.522 80.917 -9.281  5.804  -15.210 C39  CDN 57  
CDN C40  C40  C 0 1 N N N 75.620 104.179 82.234 -9.986  5.856  -16.567 C40  CDN 58  
CDN C41  C41  C 0 1 N N N 74.388 104.856 82.827 -10.757 7.172  -16.691 C41  CDN 59  
CDN C42  C42  C 0 1 N N N 74.754 105.557 84.106 -11.461 7.224  -18.048 C42  CDN 60  
CDN OA6  OA6  O 0 1 N N N 78.705 95.879  73.190 0.412   -1.316 -6.371  OA6  CDN 61  
CDN OA7  OA7  O 0 1 N N N 79.819 94.234  74.521 2.098   -2.922 -6.209  OA7  CDN 62  
CDN CA5  CA5  C 0 1 N N S 79.147 95.620  74.289 1.647   -1.772 -6.927  CA5  CDN 63  
CDN C11  C11  C 0 1 N N N 77.954 95.957  75.211 2.695   -0.662 -6.820  C11  CDN 64  
CDN C12  C12  C 0 1 N N N 78.417 96.192  76.664 4.017   -1.149 -7.415  C12  CDN 65  
CDN C13  C13  C 0 1 N N N 77.273 96.354  77.637 5.065   -0.039 -7.308  C13  CDN 66  
CDN C14  C14  C 0 1 N N N 77.581 96.720  79.046 6.387   -0.527 -7.903  C14  CDN 67  
CDN C15  C15  C 0 1 N N N 76.080 96.860  79.515 7.435   0.583  -7.797  C15  CDN 68  
CDN C16  C16  C 0 1 N N N 76.201 97.333  81.046 8.757   0.095  -8.392  C16  CDN 69  
CDN C17  C17  C 0 1 N N N 75.109 98.338  81.436 9.805   1.205  -8.285  C17  CDN 70  
CDN C18  C18  C 0 1 N N N 75.236 98.807  82.872 11.127  0.718  -8.880  C18  CDN 71  
CDN C19  C19  C 0 1 N N N 73.954 99.733  82.829 12.174  1.828  -8.773  C19  CDN 72  
CDN C20  C20  C 0 1 N N N 73.625 100.233 84.314 13.497  1.340  -9.368  C20  CDN 73  
CDN C21  C21  C 0 1 N N N 74.907 100.946 84.693 14.544  2.450  -9.261  C21  CDN 74  
CDN C22  C22  C 0 1 N N N 74.573 101.511 86.029 15.867  1.963  -9.857  C22  CDN 75  
CDN C23  C23  C 0 1 N N N 75.703 102.394 86.460 16.914  3.073  -9.750  C23  CDN 76  
CDN C24  C24  C 0 1 N N N 75.359 102.818 87.939 18.237  2.586  -10.345 C24  CDN 77  
CDN HO11 1HO1 H 0 0 N N N 78.043 88.100  70.533 -1.296  -0.611 0.971   HO11 CDN 78  
CDN HB31 1HB3 H 0 0 N N N 73.834 89.144  72.251 -3.606  -0.334 4.239   HB31 CDN 79  
CDN HB21 1HB2 H 0 0 N N N 75.844 90.312  73.147 -3.532  -3.246 1.750   HB21 CDN 80  
CDN HB22 2HB2 H 0 0 N N N 77.423 89.855  73.486 -3.354  -1.476 1.806   HB22 CDN 81  
CDN HC11 1HC1 H 0 0 N N N 75.830 88.441  71.227 -1.190  -3.457 0.963   HC11 CDN 82  
CDN HB32 2HB3 H 0 0 N N N 72.308 89.046  76.031 -4.742  -3.273 6.420   HB32 CDN 83  
CDN HB33 3HB3 H 0 0 N N N 72.263 87.533  75.294 -4.564  -1.503 6.477   HB33 CDN 84  
CDN HB41 1HB4 H 0 0 N N N 72.009 87.362  77.835 -4.446  -2.482 8.752   HB41 CDN 85  
CDN HB61 1HB6 H 0 0 N N N 74.071 85.864  76.211 -2.536  -3.949 9.341   HB61 CDN 86  
CDN HB62 2HB6 H 0 0 N N N 74.542 85.885  77.821 -3.558  -4.702 8.093   HB62 CDN 87  
CDN HB91 1HB9 H 0 0 N N N 74.572 82.430  77.215 -0.085  -4.571 9.192   HB91 CDN 88  
CDN HB71 1HB7 H 0 0 N N N 74.173 83.375  77.352 -1.830  -6.032 7.480   HB71 CDN 89  
CDN H711 1H71 H 0 0 N N N 70.939 83.291  77.294 -0.211  -5.337 5.735   H711 CDN 90  
CDN H712 2H71 H 0 0 N N N 71.832 82.189  76.374 0.810   -4.585 6.984   H712 CDN 91  
CDN H721 1H72 H 0 0 N N N 72.388 80.790  78.256 1.079   -6.787 8.091   H721 CDN 92  
CDN H722 2H72 H 0 0 N N N 72.685 82.088  79.297 0.057   -7.540 6.843   H722 CDN 93  
CDN H731 1H73 H 0 0 N N N 70.084 82.587  79.411 1.676   -6.845 5.098   H731 CDN 94  
CDN H732 2H73 H 0 0 N N N 69.788 81.295  78.374 2.698   -6.092 6.346   H732 CDN 95  
CDN H741 1H74 H 0 0 N N N 71.084 79.668  80.024 2.967   -8.295 7.454   H741 CDN 96  
CDN H742 2H74 H 0 0 N N N 71.384 80.965  81.065 1.945   -9.047 6.206   H742 CDN 97  
CDN H751 1H75 H 0 0 N N N 69.310 79.749  81.806 4.351   -9.364 5.696   H751 CDN 98  
CDN H752 2H75 H 0 0 N N N 68.791 81.428  81.236 3.564   -8.352 4.461   H752 CDN 99  
CDN H753 3H75 H 0 0 N N N 68.491 80.131  80.195 4.586   -7.600 5.709   H753 CDN 100 
CDN HB7O OHB7 H 0 0 N N N 71.988 88.116  80.918 -1.586  -2.544 10.326  HB7O CDN 101 
CDN HB51 1HB5 H 0 0 N N N 72.424 87.938  79.962 -3.857  -0.868 9.954   HB51 CDN 102 
CDN H511 1H51 H 0 0 N N N 74.965 89.900  79.693 -2.134  0.861  9.524   H511 CDN 103 
CDN H512 2H51 H 0 0 N N N 73.477 90.700  79.738 -0.856  -0.313 9.918   H512 CDN 104 
CDN H521 1H52 H 0 0 N N N 72.929 89.550  82.054 -1.791  -0.563 12.201  H521 CDN 105 
CDN H522 2H52 H 0 0 N N N 74.410 88.748  82.009 -3.069  0.610  11.807  H522 CDN 106 
CDN H531 1H53 H 0 0 N N N 75.655 91.063  81.752 -1.346  2.341  11.377  H531 CDN 107 
CDN H532 2H53 H 0 0 N N N 74.173 91.864  81.797 -0.068  1.166  11.771  H532 CDN 108 
CDN H541 1H54 H 0 0 N N N 73.625 90.720  84.121 -1.003  0.915  14.054  H541 CDN 109 
CDN H542 2H54 H 0 0 N N N 75.105 89.918  84.076 -2.281  2.090  13.660  H542 CDN 110 
CDN H551 1H55 H 0 0 N N N 76.396 92.172  83.900 -0.558  3.820  13.229  H551 CDN 111 
CDN H552 2H55 H 0 0 N N N 74.956 93.034  83.755 0.719   2.646  13.624  H552 CDN 112 
CDN H561 1H56 H 0 0 N N N 74.393 91.447  86.105 -0.215  2.395  15.906  H561 CDN 113 
CDN H562 2H56 H 0 0 N N N 76.064 91.640  86.250 -1.493  3.569  15.512  H562 CDN 114 
CDN H571 1H57 H 0 0 N N N 75.666 93.831  87.069 0.230   5.300  15.082  H571 CDN 115 
CDN H572 2H57 H 0 0 N N N 75.362 94.314  85.482 1.508   4.125  15.476  H572 CDN 116 
CDN H581 1H58 H 0 0 N N N 73.222 94.853  86.468 0.573   3.874  17.759  H581 CDN 117 
CDN H582 2H58 H 0 0 N N N 72.843 93.350  85.797 -0.704  5.049  17.365  H582 CDN 118 
CDN H591 1H59 H 0 0 N N N 73.526 92.167  88.067 1.018   6.779  16.934  H591 CDN 119 
CDN H592 2H59 H 0 0 N N N 73.901 93.670  88.737 2.296   5.605  17.329  H592 CDN 120 
CDN H601 1H60 H 0 0 N N N 71.620 93.933  89.302 1.361   5.354  19.612  H601 CDN 121 
CDN H602 2H60 H 0 0 N N N 71.289 94.246  87.677 0.083   6.528  19.217  H602 CDN 122 
CDN H611 1H61 H 0 0 N N N 71.130 91.646  87.205 1.806   8.259  18.787  H611 CDN 123 
CDN H612 2H61 H 0 0 N N N 71.470 91.328  88.827 3.084   7.084  19.181  H612 CDN 124 
CDN H621 1H62 H 0 0 N N N 69.226 93.406  88.454 2.149   6.833  21.464  H621 CDN 125 
CDN H622 2H62 H 0 0 N N N 68.850 91.906  87.785 0.871   8.008  21.070  H622 CDN 126 
CDN H631 1H63 H 0 0 N N N 70.125 91.215  90.355 2.594   9.738  20.640  H631 CDN 127 
CDN H632 2H63 H 0 0 N N N 69.217 92.590  90.720 3.872   8.564  21.034  H632 CDN 128 
CDN H641 1H64 H 0 0 N N N 67.780 90.545  90.952 3.360   10.009 22.982  H641 CDN 129 
CDN H642 2H64 H 0 0 N N N 67.113 91.518  89.528 1.660   9.487  22.922  H642 CDN 130 
CDN H643 3H64 H 0 0 N N N 68.020 90.143  89.163 2.937   8.313  23.317  H643 CDN 131 
CDN HA3O OHA3 H 0 0 N N N 75.905 92.738  69.578 -2.097  -0.257 -2.943  HA3O CDN 132 
CDN HA21 1HA2 H 0 0 N N N 77.280 90.019  69.644 -3.018  -3.220 -0.694  HA21 CDN 133 
CDN HA22 2HA2 H 0 0 N N N 75.812 90.592  70.248 -2.840  -1.450 -0.638  HA22 CDN 134 
CDN HA31 1HA3 H 0 0 N N N 79.480 94.849  70.070 -2.246  -3.146 -5.456  HA31 CDN 135 
CDN HA32 2HA3 H 0 0 N N N 78.018 95.482  70.604 -2.068  -1.376 -5.400  HA32 CDN 136 
CDN HA41 1HA4 H 0 0 N N N 80.474 95.017  72.471 0.013   -3.342 -6.458  HA41 CDN 137 
CDN HA61 1HA6 H 0 0 N N N 80.810 97.484  72.356 -0.526  -2.322 -8.653  HA61 CDN 138 
CDN HA62 2HA6 H 0 0 N N N 80.786 96.913  70.762 -1.961  -3.096 -7.938  HA62 CDN 139 
CDN HA91 1HA9 H 0 0 N N N 80.718 100.727 71.215 -1.043  -0.308 -10.098 HA91 CDN 140 
CDN HA71 1HA7 H 0 0 N N N 80.370 99.747  71.097 -3.300  -1.818 -9.243  HA71 CDN 141 
CDN H311 1H31 H 0 0 N N N 78.209 101.088 71.950 -4.118  0.397  -8.489  H311 CDN 142 
CDN H312 2H31 H 0 0 N N N 77.369 99.643  72.183 -2.684  1.170  -9.204  H312 CDN 143 
CDN H321 1H32 H 0 0 N N N 78.994 99.040  74.199 -3.341  0.322  -11.440 H321 CDN 144 
CDN H322 2H32 H 0 0 N N N 79.802 100.501 73.975 -4.776  -0.451 -10.724 H322 CDN 145 
CDN H331 1H33 H 0 0 N N N 77.532 101.810 74.232 -5.594  1.764  -9.970  H331 CDN 146 
CDN H332 2H33 H 0 0 N N N 76.707 100.350 74.432 -4.160  2.538  -10.685 H332 CDN 147 
CDN H341 1H34 H 0 0 N N N 78.295 99.756  76.481 -4.817  1.690  -12.921 H341 CDN 148 
CDN H342 2H34 H 0 0 N N N 79.080 101.227 76.292 -6.252  0.916  -12.205 H342 CDN 149 
CDN H351 1H35 H 0 0 N N N 76.773 102.497 76.442 -7.070  3.132  -11.451 H351 CDN 150 
CDN H352 2H35 H 0 0 N N N 75.968 101.014 76.611 -5.635  3.906  -12.166 H352 CDN 151 
CDN H361 1H36 H 0 0 N N N 77.420 100.492 78.767 -6.293  3.057  -14.402 H361 CDN 152 
CDN H362 2H36 H 0 0 N N N 78.195 101.970 78.603 -7.728  2.284  -13.686 H362 CDN 153 
CDN H371 1H37 H 0 0 N N N 75.550 102.932 78.309 -8.546  4.500  -12.932 H371 CDN 154 
CDN H372 2H37 H 0 0 N N N 75.169 101.504 79.131 -7.111  5.273  -13.648 H372 CDN 155 
CDN H381 1H38 H 0 0 N N N 76.927 102.118 81.005 -7.769  4.425  -15.883 H381 CDN 156 
CDN H382 2H38 H 0 0 N N N 77.311 103.536 80.187 -9.204  3.652  -15.167 H382 CDN 157 
CDN H391 1H39 H 0 0 N N N 74.758 104.243 80.211 -10.022 5.868  -14.413 H391 CDN 158 
CDN H392 2H39 H 0 0 N N N 74.374 102.821 81.034 -8.587  6.641  -15.129 H392 CDN 159 
CDN H401 1H40 H 0 0 N N N 76.094 103.462 82.944 -9.245  5.793  -17.364 H401 CDN 160 
CDN H402 2H40 H 0 0 N N N 76.479 104.880 82.123 -10.679 5.020  -16.649 H402 CDN 161 
CDN H411 1H41 H 0 0 N N N 73.897 105.543 82.099 -11.498 7.236  -15.894 H411 CDN 162 
CDN H412 2H41 H 0 0 N N N 73.544 104.140 82.968 -10.063 8.009  -16.610 H412 CDN 163 
CDN H421 1H42 H 0 0 N N N 73.853 106.051 84.539 -12.011 8.161  -18.137 H421 CDN 164 
CDN H422 2H42 H 0 0 N N N 75.244 104.869 84.834 -10.720 7.161  -18.845 H422 CDN 165 
CDN H423 3H42 H 0 0 N N N 75.597 106.272 83.964 -12.155 6.387  -18.130 H423 CDN 166 
CDN HA7O OHA7 H 0 0 N N N 80.165 94.031  75.382 2.215   -2.649 -5.289  HA7O CDN 167 
CDN HA51 1HA5 H 0 0 N N N 80.065 96.216  74.498 1.500   -2.032 -7.975  HA51 CDN 168 
CDN H111 1H11 H 0 0 N N N 77.368 96.823  74.822 2.351   0.215  -7.368  H111 CDN 169 
CDN H112 2H11 H 0 0 N N N 77.160 95.175  75.155 2.842   -0.401 -5.772  H112 CDN 170 
CDN H121 1H12 H 0 0 N N N 79.107 95.381  76.995 4.361   -2.027 -6.867  H121 CDN 171 
CDN H122 2H12 H 0 0 N N N 79.112 97.061  76.722 3.870   -1.410 -8.463  H122 CDN 172 
CDN H131 1H13 H 0 0 N N N 76.547 97.092  77.222 4.721   0.838  -7.856  H131 CDN 173 
CDN H132 2H13 H 0 0 N N N 76.659 95.422  77.631 5.212   0.221  -6.260  H132 CDN 174 
CDN H141 1H14 H 0 0 N N N 78.237 96.028  79.624 6.731   -1.404 -7.356  H141 CDN 175 
CDN H142 2H14 H 0 0 N N N 78.255 97.592  79.214 6.240   -0.787 -8.952  H142 CDN 176 
CDN H151 1H15 H 0 0 N N N 75.458 97.528  78.874 7.091   1.460  -8.344  H151 CDN 177 
CDN H152 2H15 H 0 0 N N N 75.463 95.943  79.363 7.582   0.843  -6.748  H152 CDN 178 
CDN H161 1H16 H 0 0 N N N 76.207 96.458  81.737 9.101   -0.782 -7.844  H161 CDN 179 
CDN H162 2H16 H 0 0 N N N 77.216 97.739  81.262 8.610   -0.165 -9.440  H162 CDN 180 
CDN H171 1H17 H 0 0 N N N 75.090 99.202  80.732 9.461   2.083  -8.833  H171 CDN 181 
CDN H172 2H17 H 0 0 N N N 74.093 97.923  81.238 9.952   1.466  -7.237  H172 CDN 182 
CDN H181 1H18 H 0 0 N N N 75.292 98.031  83.670 11.470  -0.159 -8.332  H181 CDN 183 
CDN H182 2H18 H 0 0 N N N 76.201 99.267  83.186 10.980  0.457  -9.928  H182 CDN 184 
CDN H191 1H19 H 0 0 N N N 74.064 100.578 82.110 11.831  2.705  -9.321  H191 CDN 185 
CDN H192 2H19 H 0 0 N N N 73.083 99.231  82.346 12.322  2.088  -7.725  H192 CDN 186 
CDN H201 1H20 H 0 0 N N N 72.696 100.843 84.413 13.840  0.463  -8.820  H201 CDN 187 
CDN H202 2H20 H 0 0 N N N 73.300 99.434  85.021 13.349  1.080  -10.416 H202 CDN 188 
CDN H211 1H21 H 0 0 N N N 75.823 100.311 84.666 14.201  3.328  -9.809  H211 CDN 189 
CDN H212 2H21 H 0 0 N N N 75.270 101.689 83.945 14.692  2.711  -8.213  H212 CDN 190 
CDN H221 1H22 H 0 0 N N N 73.589 102.035 86.040 16.210  1.085  -9.309  H221 CDN 191 
CDN H222 2H22 H 0 0 N N N 74.332 100.723 86.780 15.719  1.702  -10.905 H222 CDN 192 
CDN H231 1H23 H 0 0 N N N 76.708 101.924 86.349 16.571  3.951  -10.297 H231 CDN 193 
CDN H232 2H23 H 0 0 N N N 75.886 103.255 85.776 17.062  3.334  -8.701  H232 CDN 194 
CDN H241 1H24 H 0 0 N N N 76.200 103.475 88.259 18.983  3.376  -10.269 H241 CDN 195 
CDN H242 2H24 H 0 0 N N N 74.353 103.287 88.049 18.580  1.708  -9.797  H242 CDN 196 
CDN H243 3H24 H 0 0 N N N 75.175 101.956 88.622 18.089  2.325  -11.393 H243 CDN 197 
# 
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 
CDN PB2 OB5  SING N N 1   
CDN PB2 OB2  SING N N 2   
CDN PB2 OB3  SING N N 3   
CDN PB2 OB4  DOUB N N 4   
CDN O1  C1   SING N N 5   
CDN O1  HO11 SING N N 6   
CDN OB5 CB3  SING N N 7   
CDN OB2 CB2  SING N N 8   
CDN OB3 HB31 SING N N 9   
CDN CB2 C1   SING N N 10  
CDN CB2 HB21 SING N N 11  
CDN CB2 HB22 SING N N 12  
CDN C1  CA2  SING N N 13  
CDN C1  HC11 SING N N 14  
CDN CB3 CB4  SING N N 15  
CDN CB3 HB32 SING N N 16  
CDN CB3 HB33 SING N N 17  
CDN CB4 CB6  SING N N 18  
CDN CB4 OB6  SING N N 19  
CDN CB4 HB41 SING N N 20  
CDN CB6 OB8  SING N N 21  
CDN CB6 HB61 SING N N 22  
CDN CB6 HB62 SING N N 23  
CDN OB8 CB7  SING N N 24  
CDN OB9 CB7  SING N N 25  
CDN OB9 HB91 SING N N 26  
CDN CB7 C71  SING N N 27  
CDN CB7 HB71 SING N N 28  
CDN C71 C72  SING N N 29  
CDN C71 H711 SING N N 30  
CDN C71 H712 SING N N 31  
CDN C72 C73  SING N N 32  
CDN C72 H721 SING N N 33  
CDN C72 H722 SING N N 34  
CDN C73 C74  SING N N 35  
CDN C73 H731 SING N N 36  
CDN C73 H732 SING N N 37  
CDN C74 C75  SING N N 38  
CDN C74 H741 SING N N 39  
CDN C74 H742 SING N N 40  
CDN C75 H751 SING N N 41  
CDN C75 H752 SING N N 42  
CDN C75 H753 SING N N 43  
CDN OB6 CB5  SING N N 44  
CDN OB7 CB5  SING N N 45  
CDN OB7 HB7O SING N N 46  
CDN CB5 C51  SING N N 47  
CDN CB5 HB51 SING N N 48  
CDN C51 C52  SING N N 49  
CDN C51 H511 SING N N 50  
CDN C51 H512 SING N N 51  
CDN C52 C53  SING N N 52  
CDN C52 H521 SING N N 53  
CDN C52 H522 SING N N 54  
CDN C53 C54  SING N N 55  
CDN C53 H531 SING N N 56  
CDN C53 H532 SING N N 57  
CDN C54 C55  SING N N 58  
CDN C54 H541 SING N N 59  
CDN C54 H542 SING N N 60  
CDN C55 C56  SING N N 61  
CDN C55 H551 SING N N 62  
CDN C55 H552 SING N N 63  
CDN C56 C57  SING N N 64  
CDN C56 H561 SING N N 65  
CDN C56 H562 SING N N 66  
CDN C57 C58  SING N N 67  
CDN C57 H571 SING N N 68  
CDN C57 H572 SING N N 69  
CDN C58 C59  SING N N 70  
CDN C58 H581 SING N N 71  
CDN C58 H582 SING N N 72  
CDN C59 C60  SING N N 73  
CDN C59 H591 SING N N 74  
CDN C59 H592 SING N N 75  
CDN C60 C61  SING N N 76  
CDN C60 H601 SING N N 77  
CDN C60 H602 SING N N 78  
CDN C61 C62  SING N N 79  
CDN C61 H611 SING N N 80  
CDN C61 H612 SING N N 81  
CDN C62 C63  SING N N 82  
CDN C62 H621 SING N N 83  
CDN C62 H622 SING N N 84  
CDN C63 C64  SING N N 85  
CDN C63 H631 SING N N 86  
CDN C63 H632 SING N N 87  
CDN C64 H641 SING N N 88  
CDN C64 H642 SING N N 89  
CDN C64 H643 SING N N 90  
CDN PA1 OA5  SING N N 91  
CDN PA1 OA2  SING N N 92  
CDN PA1 OA4  DOUB N N 93  
CDN PA1 OA3  SING N N 94  
CDN OA5 CA3  SING N N 95  
CDN OA2 CA2  SING N N 96  
CDN OA3 HA3O SING N N 97  
CDN CA2 HA21 SING N N 98  
CDN CA2 HA22 SING N N 99  
CDN CA3 CA4  SING N N 100 
CDN CA3 HA31 SING N N 101 
CDN CA3 HA32 SING N N 102 
CDN CA4 CA6  SING N N 103 
CDN CA4 OA6  SING N N 104 
CDN CA4 HA41 SING N N 105 
CDN CA6 OA8  SING N N 106 
CDN CA6 HA61 SING N N 107 
CDN CA6 HA62 SING N N 108 
CDN OA8 CA7  SING N N 109 
CDN OA9 CA7  SING N N 110 
CDN OA9 HA91 SING N N 111 
CDN CA7 C31  SING N N 112 
CDN CA7 HA71 SING N N 113 
CDN C31 C32  SING N N 114 
CDN C31 H311 SING N N 115 
CDN C31 H312 SING N N 116 
CDN C32 C33  SING N N 117 
CDN C32 H321 SING N N 118 
CDN C32 H322 SING N N 119 
CDN C33 C34  SING N N 120 
CDN C33 H331 SING N N 121 
CDN C33 H332 SING N N 122 
CDN C34 C35  SING N N 123 
CDN C34 H341 SING N N 124 
CDN C34 H342 SING N N 125 
CDN C35 C36  SING N N 126 
CDN C35 H351 SING N N 127 
CDN C35 H352 SING N N 128 
CDN C36 C37  SING N N 129 
CDN C36 H361 SING N N 130 
CDN C36 H362 SING N N 131 
CDN C37 C38  SING N N 132 
CDN C37 H371 SING N N 133 
CDN C37 H372 SING N N 134 
CDN C38 C39  SING N N 135 
CDN C38 H381 SING N N 136 
CDN C38 H382 SING N N 137 
CDN C39 C40  SING N N 138 
CDN C39 H391 SING N N 139 
CDN C39 H392 SING N N 140 
CDN C40 C41  SING N N 141 
CDN C40 H401 SING N N 142 
CDN C40 H402 SING N N 143 
CDN C41 C42  SING N N 144 
CDN C41 H411 SING N N 145 
CDN C41 H412 SING N N 146 
CDN C42 H421 SING N N 147 
CDN C42 H422 SING N N 148 
CDN C42 H423 SING N N 149 
CDN OA6 CA5  SING N N 150 
CDN OA7 CA5  SING N N 151 
CDN OA7 HA7O SING N N 152 
CDN CA5 C11  SING N N 153 
CDN CA5 HA51 SING N N 154 
CDN C11 C12  SING N N 155 
CDN C11 H111 SING N N 156 
CDN C11 H112 SING N N 157 
CDN C12 C13  SING N N 158 
CDN C12 H121 SING N N 159 
CDN C12 H122 SING N N 160 
CDN C13 C14  SING N N 161 
CDN C13 H131 SING N N 162 
CDN C13 H132 SING N N 163 
CDN C14 C15  SING N N 164 
CDN C14 H141 SING N N 165 
CDN C14 H142 SING N N 166 
CDN C15 C16  SING N N 167 
CDN C15 H151 SING N N 168 
CDN C15 H152 SING N N 169 
CDN C16 C17  SING N N 170 
CDN C16 H161 SING N N 171 
CDN C16 H162 SING N N 172 
CDN C17 C18  SING N N 173 
CDN C17 H171 SING N N 174 
CDN C17 H172 SING N N 175 
CDN C18 C19  SING N N 176 
CDN C18 H181 SING N N 177 
CDN C18 H182 SING N N 178 
CDN C19 C20  SING N N 179 
CDN C19 H191 SING N N 180 
CDN C19 H192 SING N N 181 
CDN C20 C21  SING N N 182 
CDN C20 H201 SING N N 183 
CDN C20 H202 SING N N 184 
CDN C21 C22  SING N N 185 
CDN C21 H211 SING N N 186 
CDN C21 H212 SING N N 187 
CDN C22 C23  SING N N 188 
CDN C22 H221 SING N N 189 
CDN C22 H222 SING N N 190 
CDN C23 C24  SING N N 191 
CDN C23 H231 SING N N 192 
CDN C23 H232 SING N N 193 
CDN C24 H241 SING N N 194 
CDN C24 H242 SING N N 195 
CDN C24 H243 SING N N 196 
# 
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 
CDN SMILES           ACDLabs              10.04 O=P(O)(OCC(OC(O)CCCCCCCCCCCCCC)COC(O)CCCCC)OCC(O)COP(=O)(OCC(OC(O)CCCCCCCCCCCCCC)COC(O)CCCCCCCCCCCC)O 
CDN InChI            InChI                1.02b 
;InChI=1/C58H120O17P2/c1-5-9-13-16-19-22-25-27-30-33-36-40-44-57(62)74-53(48-68-55(60)42-38-12-8-4)50-72-76(64,65)70-46-52(59)47-71-77(66,67)73-51-54(49-69-56(61)43-39-35-32-29-24-21-18-15-11-7-3)75-58(63)45-41-37-34-31-28-26-23-20-17-14-10-6-2/h52-63H,5-51H2,1-4H3,(H,64,65)(H,66,67)/t52-,53+,54+,55?,56?,57?,58-/m0/s1/f/h64,66H
;
CDN InChIKey         InChI                1.02b GKRASOJOCMJQMF-DGBNNCSYDG 
CDN SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCC[C@H](O)O[C@H](CO[C@H](O)CCCCC)CO[P@](O)(=O)OC[C@H](O)CO[P@](O)(=O)OC[C@@H](CO[C@H](O)CCCCCCCCCCCC)O[C@H](O)CCCCCCCCCCCCCC 
CDN SMILES           CACTVS               3.341 CCCCCCCCCCCCCC[CH](O)O[CH](CO[CH](O)CCCCC)CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[CH](CO[CH](O)CCCCCCCCCCCC)O[CH](O)CCCCCCCCCCCCCC 
CDN SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCC(O)O[C@H](COC(CCCCC)O)CO[P@@](=O)(O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](COC(CCCCCCCCCCCC)O)O[C@@H](CCCCCCCCCCCCCC)O)O 
CDN SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCC(O)OC(COC(CCCCC)O)COP(=O)(O)OCC(COP(=O)(O)OCC(COC(CCCCCCCCCCCC)O)OC(CCCCCCCCCCCCCC)O)O 
# 
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 
CDN "SYSTEMATIC NAME" ACDLabs              10.04 
"(2R)-3-{[(1S)-1-hydroxyhexyl]oxy}-2-{[(1R)-1-hydroxypentadecyl]oxy}propyl (5R,8R,10S)-2,5,10-trihydroxy-8-({[(1S)-1-hydroxytridecyl]oxy}methyl)-5-oxido-4,6,9-trioxa-5-phosphatetracos-1-yl hydrogen (S)-phosphate (non-preferred name)" 
CDN "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-3-(1-hydroxyhexoxy)-2-(1-hydroxypentadecoxy)propyl] [(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-(1-hydroxypentadecoxy)-3-(1-hydroxytridecoxy)propoxy]phosphoryl]oxy-propyl] hydrogen phosphate" 
# 
