data_CDL
# 
_chem_comp.id                                    CDL 
_chem_comp.name                                  CARDIOLIPIN 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C81 H156 O17 P2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         
;DIPHOSPHATIDYL GLYCEROL; BIS-(1,2-DIACYL-SN-GLYCERO-3-PHOSPHO)-1',3'-SN-GLYCEROL
;
_chem_comp.pdbx_formal_charge                    -2 
_chem_comp.pdbx_initial_date                     1999-11-19 
_chem_comp.pdbx_modified_date                    2008-12-05 
_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                        1464.043 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     CDL 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        "Corina V3.40" 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1E14 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
# 
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 
CDL C1   C1   C 0  1 N N N 112.906 281.931 218.231 1.041   6.909   -1.230 C1   CDL 1   
CDL O1   O1   O 0  1 N N N 112.737 283.106 217.434 1.177   5.862   -2.193 O1   CDL 2   
CDL CA2  CA2  C 0  1 N N N 114.301 281.387 217.951 2.295   7.786   -1.249 CA2  CDL 3   
CDL OA2  OA2  O 0  1 N N N 114.423 280.043 218.418 3.420   7.017   -0.819 OA2  CDL 4   
CDL PA1  PA1  P 0  1 N N N 114.634 278.779 217.435 4.924   7.592   -0.813 PA1  CDL 5   
CDL OA3  OA3  O 0  1 N N N 114.747 279.248 216.020 5.266   8.153   -2.211 OA3  CDL 6   
CDL OA4  OA4  O -1 1 N N N 115.725 277.935 218.003 5.040   8.719   0.237  OA4  CDL 7   
CDL OA5  OA5  O 0  1 N N N 113.213 277.998 217.607 5.950   6.407   -0.444 OA5  CDL 8   
CDL CA3  CA3  C 0  1 N N N 112.901 276.603 217.384 7.370   6.563   -0.497 CA3  CDL 9   
CDL CA4  CA4  C 0  1 N N R 112.555 276.299 215.884 8.041   5.219   -0.206 CA4  CDL 10  
CDL OA6  OA6  O 0  1 N N N 111.235 275.677 215.756 7.718   4.277   -1.263 OA6  CDL 11  
CDL CA5  CA5  C 0  1 N N N 110.063 276.374 216.022 6.718   3.414   -1.025 CA5  CDL 12  
CDL OA7  OA7  O 0  1 N N N 109.661 276.717 217.122 6.124   3.452   0.026  OA7  CDL 13  
CDL C11  C11  C 0  1 N N N 109.193 276.408 214.758 6.335   2.399   -2.070 C11  CDL 14  
CDL C12  C12  C 0  1 N N N 109.495 277.680 213.951 5.092   1.635   -1.608 C12  CDL 15  
CDL C13  C13  C 0  1 N N N 110.751 277.578 213.087 4.764   0.535   -2.620 C13  CDL 16  
CDL C14  C14  C 0  1 N N N 110.490 277.635 211.590 3.593   -0.302  -2.102 C14  CDL 17  
CDL C15  C15  C 0  1 N N N 111.255 276.575 210.792 3.339   -1.470  -3.057 C15  CDL 18  
CDL C16  C16  C 0  1 N N N 111.725 277.048 209.417 2.246   -2.372  -2.480 C16  CDL 19  
CDL C17  C17  C 0  1 N N N 110.732 277.946 208.677 1.909   -3.473  -3.487 C17  CDL 20  
CDL C18  C18  C 0  1 N N N 111.396 278.924 207.688 0.902   -4.442  -2.865 C18  CDL 21  
CDL C19  C19  C 0  1 N N N 111.489 278.433 206.239 0.653   -5.606  -3.826 C19  CDL 22  
CDL C20  C20  C 0  1 N N N 110.915 277.022 205.915 -0.439  -6.514  -3.257 C20  CDL 23  
CDL C21  C21  C 0  1 N N N 109.443 276.886 205.411 -0.769  -7.612  -4.270 C21  CDL 24  
CDL C22  C22  C 0  1 N N N 109.209 276.826 203.880 -1.939  -8.450  -3.751 C22  CDL 25  
CDL C23  C23  C 0  1 N N N 110.476 276.898 202.984 -2.345  -9.473  -4.814 C23  CDL 26  
CDL C24  C24  C 0  1 N N N 110.175 277.036 201.480 -3.437  -10.386 -4.253 C24  CDL 27  
CDL C25  C25  C 0  1 N N N 111.351 276.731 200.522 -3.760  -11.480 -5.272 C25  CDL 28  
CDL C26  C26  C 0  1 N N N 112.770 276.878 201.100 -4.766  -12.460 -4.665 C26  CDL 29  
CDL C27  C27  C 0  1 N N N 113.838 276.056 200.381 -5.179  -13.487 -5.722 C27  CDL 30  
CDL CA6  CA6  C 0  1 N N N 113.656 275.368 215.233 9.557   5.411   -0.139 CA6  CDL 31  
CDL OA8  OA8  O 0  1 N N N 113.937 275.659 213.841 10.186  4.162   0.254  OA8  CDL 32  
CDL CA7  CA7  C 0  1 N N N 114.788 274.750 213.221 11.524  4.160   0.360  CA7  CDL 33  
CDL OA9  OA9  O 0  1 N N N 115.462 273.899 213.789 12.150  5.169   0.132  OA9  CDL 34  
CDL C31  C31  C 0  1 N N N 114.630 274.869 211.673 12.247  2.901   0.763  C31  CDL 35  
CDL C32  C32  C 0  1 N N N 115.717 275.695 210.945 13.752  3.169   0.808  C32  CDL 36  
CDL C33  C33  C 0  1 N N N 115.424 275.813 209.435 14.486  1.890   1.217  C33  CDL 37  
CDL C34  C34  C 0  1 N N N 116.153 276.927 208.674 15.992  2.158   1.262  C34  CDL 38  
CDL C35  C35  C 0  1 N N N 115.257 277.688 207.705 16.725  0.879   1.672  C35  CDL 39  
CDL C36  C36  C 0  1 N N N 115.972 278.395 206.563 18.231  1.147   1.717  C36  CDL 40  
CDL C37  C37  C 0  1 N N N 115.175 278.290 205.270 18.964  -0.132  2.126  C37  CDL 41  
CDL C38  C38  C 0  1 N N N 115.785 278.821 203.950 20.470  0.135   2.171  C38  CDL 42  
CDL C39  C39  C 0  1 N N N 116.654 277.904 203.036 21.203  -1.143  2.580  C39  CDL 43  
CDL C40  C40  C 0  1 N N N 116.964 276.439 203.481 22.709  -0.876  2.625  C40  CDL 44  
CDL C41  C41  C 0  1 N N N 118.401 275.828 203.201 23.442  -2.154  3.034  C41  CDL 45  
CDL C42  C42  C 0  1 N N N 119.064 274.754 204.145 24.948  -1.887  3.079  C42  CDL 46  
CDL C43  C43  C 0  1 N N N 118.271 274.267 205.413 25.682  -3.165  3.489  C43  CDL 47  
CDL C44  C44  C 0  1 N N N 117.028 273.323 205.204 27.187  -2.898  3.534  C44  CDL 48  
CDL C45  C45  C 0  1 N N N 115.820 273.535 206.168 27.921  -4.176  3.943  C45  CDL 49  
CDL C46  C46  C 0  1 N N N 114.445 273.071 205.646 29.427  -3.909  3.988  C46  CDL 50  
CDL C47  C47  C 0  1 N N N 113.423 274.156 205.246 30.160  -5.187  4.397  C47  CDL 51  
CDL CB2  CB2  C 0  1 N N N 111.780 280.870 217.942 -0.183  7.761   -1.572 CB2  CDL 52  
CDL OB2  OB2  O 0  1 N N N 110.937 280.435 219.055 -1.365  6.970   -1.443 OB2  CDL 53  
CDL PB2  PB2  P 0  1 N N N 109.409 279.824 218.929 -2.830  7.510   -1.838 PB2  CDL 54  
CDL OB3  OB3  O 0  1 N N N 108.464 280.655 219.727 -3.098  8.847   -1.112 OB3  CDL 55  
CDL OB4  OB4  O -1 1 N N N 109.432 278.361 219.199 -2.903  7.730   -3.366 OB4  CDL 56  
CDL OB5  OB5  O 0  1 N N N 109.096 280.031 217.368 -3.938  6.429   -1.398 OB5  CDL 57  
CDL CB3  CB3  C 0  1 N N N 108.776 281.325 216.847 -5.340  6.631   -1.584 CB3  CDL 58  
CDL CB4  CB4  C 0  1 N N R 109.176 281.404 215.385 -6.112  5.473   -0.949 CB4  CDL 59  
CDL OB6  OB6  O 0  1 N N N 110.363 282.199 215.255 -5.834  4.249   -1.679 OB6  CDL 60  
CDL CB5  CB5  C 0  1 N N N 111.399 281.608 214.575 -5.806  3.109   -0.970 CB5  CDL 61  
CDL OB7  OB7  O 0  1 N N N 111.832 280.468 214.679 -5.913  3.144   0.233  OB7  CDL 62  
CDL C51  C51  C 0  1 N N N 112.035 282.678 213.748 -5.642  1.787   -1.674 C51  CDL 63  
CDL C52  C52  C 0  1 N N N 111.435 282.531 212.380 -5.776  0.649   -0.660 C52  CDL 64  
CDL C53  C53  C 0  1 N N N 112.043 283.513 211.435 -5.508  -0.687  -1.355 C53  CDL 65  
CDL C54  C54  C 0  1 N N N 111.194 284.710 211.165 -5.528  -1.814  -0.320 C54  CDL 66  
CDL C55  C55  C 0  1 N N N 111.517 285.207 209.793 -5.147  -3.133  -0.995 C55  CDL 67  
CDL C56  C56  C 0  1 N N N 111.068 284.210 208.778 -5.054  -4.237  0.061  C56  CDL 68  
CDL C57  C57  C 0  1 N N N 111.889 284.312 207.547 -4.561  -5.529  -0.595 C57  CDL 69  
CDL C58  C58  C 0  1 N N N 111.175 285.185 206.567 -4.358  -6.600  0.479  C58  CDL 70  
CDL C59  C59  C 0  1 N N N 111.613 284.946 205.148 -3.978  -7.924  -0.187 C59  CDL 71  
CDL C60  C60  C 0  1 N N N 112.681 283.892 204.959 -3.661  -8.964  0.890  C60  CDL 72  
CDL C61  C61  C 0  1 N N N 113.062 283.689 203.501 -3.170  -10.252 0.226  C61  CDL 73  
CDL C62  C62  C 0  1 N N N 112.909 282.258 202.976 -2.964  -11.329 1.293  C62  CDL 74  
CDL C63  C63  C 0  1 N N N 112.378 281.169 203.945 -2.473  -12.617 0.629  C63  CDL 75  
CDL C64  C64  C 0  1 N N N 111.168 280.416 203.352 -2.268  -13.694 1.696  C64  CDL 76  
CDL C65  C65  C 0  1 N N N 110.342 281.198 202.295 -1.776  -14.982 1.032  C65  CDL 77  
CDL C66  C66  C 0  1 N N N 110.150 280.425 200.983 -1.571  -16.060 2.098  C66  CDL 78  
CDL C67  C67  C 0  1 N N N 111.380 280.306 200.073 -1.079  -17.347 1.435  C67  CDL 79  
CDL CB6  CB6  C 0  1 N N N 108.022 282.011 214.615 -7.612  5.769   -1.002 CB6  CDL 80  
CDL OB8  OB8  O 0  1 N N N 107.575 281.045 213.679 -8.336  4.728   -0.296 OB8  CDL 81  
CDL CB7  CB7  C 0  1 N N N 107.776 281.560 212.448 -9.673  4.839   -0.249 CB7  CDL 82  
CDL OB9  OB9  O 0  1 N N N 108.139 282.706 212.232 -10.220 5.776   -0.781 OB9  CDL 83  
CDL C71  C71  C 0  1 N N N 107.437 280.524 211.344 -10.492 3.796   0.467  C71  CDL 84  
CDL C72  C72  C 0  1 N N N 108.172 280.787 210.017 -11.975 4.159   0.372  C72  CDL 85  
CDL C73  C73  C 0  1 N N N 107.252 281.205 208.883 -12.807 3.099   1.098  C73  CDL 86  
CDL C74  C74  C 0  1 N N N 107.446 280.435 207.591 -14.290 3.462   1.003  C74  CDL 87  
CDL C75  C75  C 0  1 N N N 108.203 281.194 206.502 -15.121 2.403   1.730  C75  CDL 88  
CDL C76  C76  C 0  1 N N N 107.295 281.761 205.405 -16.605 2.765   1.634  C76  CDL 89  
CDL C77  C77  C 0  1 N N N 107.216 281.010 204.058 -17.436 1.706   2.361  C77  CDL 90  
CDL C78  C78  C 0  1 N N N 105.753 280.606 203.852 -18.920 2.068   2.266  C78  CDL 91  
CDL C79  C79  C 0  1 N N N 105.133 280.331 202.475 -19.751 1.009   2.993  C79  CDL 92  
CDL C80  C80  C 0  1 N N N 105.964 280.431 201.210 -21.234 1.371   2.897  C80  CDL 93  
CDL C81  C81  C 0  1 N N N 106.075 281.793 200.524 -22.066 0.312   3.624  C81  CDL 94  
CDL C82  C82  C 0  1 N N N 104.887 282.480 199.810 -23.549 0.674   3.529  C82  CDL 95  
CDL C83  C83  C 0  1 N N N 103.486 281.863 199.731 -24.381 -0.384  4.255  C83  CDL 96  
CDL C84  C84  C 0  1 N N N 102.485 282.857 199.099 -25.864 -0.022  4.160  C84  CDL 97  
CDL C85  C85  C 0  1 N N N 102.425 282.865 197.564 -26.695 -1.081  4.887  C85  CDL 98  
CDL C86  C86  C 0  1 N N N 101.704 281.648 196.921 -28.179 -0.719  4.791  C86  CDL 99  
CDL C87  C87  C 0  1 N N N 102.524 280.686 196.039 -29.010 -1.778  5.518  C87  CDL 100 
CDL H1   H1   H 0  1 N N N 112.811 282.173 219.300 0.916   6.475   -0.237 H1   CDL 101 
CDL H1O1 1H1O H 0  0 N N N 112.700 283.869 217.998 1.293   6.175   -3.100 H1O1 CDL 102 
CDL HA22 2HA2 H 0  0 N N N 114.484 281.408 216.866 2.468   8.149   -2.261 HA22 CDL 103 
CDL HA21 1HA2 H 0  0 N N N 115.037 282.013 218.477 2.156   8.633   -0.577 HA21 CDL 104 
CDL HA32 2HA3 H 0  0 N N N 113.776 276.000 217.670 7.661   6.907   -1.490 HA32 CDL 105 
CDL HA31 1HA3 H 0  0 N N N 112.017 276.355 217.990 7.683   7.294   0.248  HA31 CDL 106 
CDL HA4  HA4  H 0  1 N N N 112.537 277.260 215.348 7.681   4.832   0.748  HA4  CDL 107 
CDL H112 2H11 H 0  0 N N N 109.412 275.524 214.141 6.120   2.907   -3.010 H112 CDL 108 
CDL H111 1H11 H 0  0 N N N 108.132 276.405 215.048 7.158   1.699   -2.216 H111 CDL 109 
CDL H122 2H12 H 0  0 N N N 108.639 277.874 213.287 5.283   1.186   -0.634 H122 CDL 110 
CDL H121 1H12 H 0  0 N N N 109.667 278.489 214.676 4.250   2.323   -1.533 H121 CDL 111 
CDL H132 2H13 H 0  0 N N N 111.409 278.420 213.347 4.493   0.988   -3.574 H132 CDL 112 
CDL H131 1H13 H 0  0 N N N 111.198 276.594 213.293 5.635   -0.105  -2.757 H131 CDL 113 
CDL H142 2H14 H 0  0 N N N 109.414 277.477 211.424 3.832   -0.688  -1.111 H142 CDL 114 
CDL H141 1H14 H 0  0 N N N 110.836 278.618 211.238 2.700   0.320   -2.044 H141 CDL 115 
CDL H152 2H15 H 0  0 N N N 112.143 276.288 211.374 3.018   -1.085  -4.025 H152 CDL 116 
CDL H151 1H15 H 0  0 N N N 110.560 275.739 210.622 4.257   -2.045  -3.180 H151 CDL 117 
CDL H162 2H16 H 0  0 N N N 112.654 277.620 209.558 2.599   -2.823  -1.553 H162 CDL 118 
CDL H161 1H16 H 0  0 N N N 111.852 276.146 208.801 1.354   -1.779  -2.278 H161 CDL 119 
CDL H172 2H17 H 0  0 N N N 110.046 277.300 208.109 1.478   -3.027  -4.383 H172 CDL 120 
CDL H171 1H17 H 0  0 N N N 110.218 278.554 209.436 2.818   -4.014  -3.752 H171 CDL 121 
CDL H182 2H18 H 0  0 N N N 110.801 279.849 207.687 1.299   -4.826  -1.925 H182 CDL 122 
CDL H181 1H18 H 0  0 N N N 112.432 279.054 208.034 -0.036  -3.920  -2.677 H181 CDL 123 
CDL H192 2H19 H 0  0 N N N 110.931 279.153 205.622 0.335   -5.217  -4.793 H192 CDL 124 
CDL H191 1H19 H 0  0 N N N 112.567 278.354 206.035 1.573   -6.178  -3.950 H191 CDL 125 
CDL H202 2H20 H 0  0 N N N 111.552 276.606 205.120 -0.088  -6.968  -2.330 H202 CDL 126 
CDL H201 1H20 H 0  0 N N N 110.909 276.510 206.888 -1.334  -5.924  -3.057 H201 CDL 127 
CDL H212 2H21 H 0  0 N N N 109.048 275.949 205.830 -1.041  -7.158  -5.223 H212 CDL 128 
CDL H211 1H21 H 0  0 N N N 108.945 277.811 205.738 0.102   -8.252  -4.409 H211 CDL 129 
CDL H222 2H22 H 0  0 N N N 108.711 275.869 203.664 -1.639  -8.970  -2.842 H222 CDL 130 
CDL H221 1H22 H 0  0 N N N 108.621 277.723 203.635 -2.785  -7.797  -3.534 H221 CDL 131 
CDL H232 2H23 H 0  0 N N N 111.062 277.776 203.295 -2.724  -8.952  -5.694 H232 CDL 132 
CDL H231 1H23 H 0  0 N N N 111.016 275.949 203.116 -1.478  -10.072 -5.092 H231 CDL 133 
CDL H242 2H24 H 0  0 N N N 109.366 276.330 201.241 -3.087  -10.844 -3.327 H242 CDL 134 
CDL H241 1H24 H 0  0 N N N 109.924 278.095 201.320 -4.333  -9.800  -4.052 H241 CDL 135 
CDL H252 2H25 H 0  0 N N N 111.241 275.686 200.196 -4.188  -11.028 -6.167 H252 CDL 136 
CDL H251 1H25 H 0  0 N N N 111.281 277.483 199.723 -2.847  -12.013 -5.535 H251 CDL 137 
CDL H262 2H26 H 0  0 N N N 113.055 277.938 201.026 -4.309  -12.974 -3.820 H262 CDL 138 
CDL H261 1H26 H 0  0 N N N 112.729 276.505 202.134 -5.647  -11.914 -4.326 H261 CDL 139 
CDL H273 3H27 H 0  0 N N N 113.516 275.858 199.348 -5.637  -12.973 -6.568 H273 CDL 140 
CDL H272 2H27 H 0  0 N N N 114.785 276.616 200.369 -4.299  -14.033 -6.062 H272 CDL 141 
CDL H271 1H27 H 0  0 N N N 113.983 275.102 200.909 -5.896  -14.185 -5.290 H271 CDL 142 
CDL HA62 2HA6 H 0  0 N N N 114.589 275.500 215.801 9.929   5.712   -1.118 HA62 CDL 143 
CDL HA61 1HA6 H 0  0 N N N 113.265 274.340 215.270 9.794   6.183   0.593  HA61 CDL 144 
CDL H312 2H31 H 0  0 N N N 114.660 273.850 211.260 11.904  2.585   1.748  H312 CDL 145 
CDL H311 1H31 H 0  0 N N N 113.683 275.403 211.507 12.039  2.115   0.037  H311 CDL 146 
CDL H322 2H32 H 0  0 N N N 115.745 276.705 211.380 14.095  3.484   -0.178 H322 CDL 147 
CDL H321 1H32 H 0  0 N N N 116.682 275.182 211.070 13.960  3.955   1.534  H321 CDL 148 
CDL H332 2H33 H 0  0 N N N 115.719 274.859 208.973 14.143  1.574   2.203  H332 CDL 149 
CDL H331 1H33 H 0  0 N N N 114.355 276.062 209.363 14.278  1.104   0.491  H331 CDL 150 
CDL H342 2H34 H 0  0 N N N 116.548 277.643 209.410 16.334  2.473   0.277  H342 CDL 151 
CDL H341 1H34 H 0  0 N N N 116.946 276.450 208.079 16.199  2.944   1.988  H341 CDL 152 
CDL H352 2H35 H 0  0 N N N 114.561 276.962 207.259 16.383  0.563   2.657  H352 CDL 153 
CDL H351 1H35 H 0  0 N N N 114.773 278.479 208.296 16.517  0.093   0.946  H351 CDL 154 
CDL H362 2H36 H 0  0 N N N 116.095 279.457 206.822 18.573  1.462   0.731  H362 CDL 155 
CDL H361 1H36 H 0  0 N N N 116.950 277.916 206.412 18.438  1.933   2.442  H361 CDL 156 
CDL H372 2H37 H 0  0 N N N 114.986 277.218 205.112 18.622  -0.448  3.111  H372 CDL 157 
CDL H371 1H37 H 0  0 N N N 114.308 278.944 205.441 18.757  -0.918  1.400  H371 CDL 158 
CDL H382 2H38 H 0  0 N N N 114.931 279.135 203.332 20.812  0.451   1.185  H382 CDL 159 
CDL H381 1H38 H 0  0 N N N 116.504 279.578 204.296 20.678  0.922   2.897  H381 CDL 160 
CDL H392 2H39 H 0  0 N N N 116.117 277.827 202.079 20.861  -1.459  3.566  H392 CDL 161 
CDL H391 1H39 H 0  0 N N N 117.640 278.392 203.035 20.996  -1.929  1.854  H391 CDL 162 
CDL H402 2H40 H 0  0 N N N 116.824 276.412 204.572 23.052  -0.560  1.640  H402 CDL 163 
CDL H401 1H40 H 0  0 N N N 116.290 275.826 202.865 22.917  -0.089  3.351  H401 CDL 164 
CDL H412 2H41 H 0  0 N N N 118.324 275.342 202.217 23.100  -2.470  4.020  H412 CDL 165 
CDL H411 1H41 H 0  0 N N N 119.057 276.700 203.342 23.235  -2.941  2.309  H411 CDL 166 
CDL H422 2H42 H 0  0 N N N 119.241 273.862 203.526 25.291  -1.571  2.094  H422 CDL 167 
CDL H421 1H42 H 0  0 N N N 119.948 275.263 204.556 25.156  -1.100  3.805  H421 CDL 168 
CDL H432 2H43 H 0  0 N N N 118.987 273.710 206.036 25.339  -3.481  4.474  H432 CDL 169 
CDL H431 1H43 H 0  0 N N N 117.849 275.187 205.844 25.474  -3.951  2.763  H431 CDL 170 
CDL H442 2H44 H 0  0 N N N 116.660 273.492 204.181 27.530  -2.582  2.548  H442 CDL 171 
CDL H441 1H44 H 0  0 N N N 117.393 272.306 205.409 27.395  -2.111  4.260  H441 CDL 172 
CDL H452 2H45 H 0  0 N N N 116.030 272.967 207.086 27.578  -4.492  4.929  H452 CDL 173 
CDL H451 1H45 H 0  0 N N N 115.736 274.623 206.307 27.713  -4.963  3.217  H451 CDL 174 
CDL H462 2H46 H 0  0 N N N 114.634 272.466 204.747 29.769  -3.593  3.003  H462 CDL 175 
CDL H461 1H46 H 0  0 N N N 113.983 272.548 206.496 29.634  -3.122  4.714  H461 CDL 176 
CDL H473 3H47 H 0  0 N N N 113.180 274.773 206.124 29.817  -5.503  5.383  H473 CDL 177 
CDL H472 2H47 H 0  0 N N N 113.853 274.792 204.459 29.952  -5.974  3.671  H472 CDL 178 
CDL H471 1H47 H 0  0 N N N 112.507 273.676 204.870 31.233  -4.997  4.429  H471 CDL 179 
CDL HB22 2HB2 H 0  0 N N N 111.109 281.318 217.195 -0.237  8.609   -0.890 HB22 CDL 180 
CDL HB21 1HB2 H 0  0 N N N 112.324 279.964 217.636 -0.098  8.123   -2.596 HB21 CDL 181 
CDL HB32 2HB3 H 0  0 N N N 107.694 281.498 216.939 -5.638  7.568   -1.112 HB32 CDL 182 
CDL HB31 1HB3 H 0  0 N N N 109.324 282.091 217.415 -5.562  6.675   -2.650 HB31 CDL 183 
CDL HB4  HB4  H 0  1 N N N 109.395 280.404 214.982 -5.801  5.355   0.089  HB4  CDL 184 
CDL H512 2H51 H 0  0 N N N 111.823 283.674 214.164 -6.411  1.685   -2.439 H512 CDL 185 
CDL H511 1H51 H 0  0 N N N 113.130 282.580 213.726 -4.657  1.744   -2.141 H511 CDL 186 
CDL H522 2H52 H 0  0 N N N 111.623 281.512 212.011 -5.054  0.792   0.144  H522 CDL 187 
CDL H521 1H52 H 0  0 N N N 110.353 282.720 212.443 -6.785  0.648   -0.247 H521 CDL 188 
CDL H532 2H53 H 0  0 N N N 112.990 283.862 211.873 -6.279  -0.868  -2.105 H532 CDL 189 
CDL H531 1H53 H 0  0 N N N 112.173 282.992 210.475 -4.531  -0.656  -1.839 H531 CDL 190 
CDL H542 2H54 H 0  0 N N N 110.130 284.437 211.224 -4.814  -1.591  0.473  H542 CDL 191 
CDL H541 1H54 H 0  0 N N N 111.393 285.494 211.911 -6.529  -1.899  0.104  H541 CDL 192 
CDL H552 2H55 H 0  0 N N N 111.000 286.163 209.620 -5.905  -3.397  -1.732 H552 CDL 193 
CDL H551 1H55 H 0  0 N N N 112.604 285.353 209.705 -4.182  -3.022  -1.490 H551 CDL 194 
CDL H562 2H56 H 0  0 N N N 111.172 283.198 209.197 -4.356  -3.936  0.841  H562 CDL 195 
CDL H561 1H56 H 0  0 N N N 110.017 284.412 208.522 -6.039  -4.405  0.498  H561 CDL 196 
CDL H572 2H57 H 0  0 N N N 112.869 284.749 207.789 -5.300  -5.875  -1.317 H572 CDL 197 
CDL H571 1H57 H 0  0 N N N 112.043 283.312 207.115 -3.616  -5.340  -1.103 H571 CDL 198 
CDL H582 2H58 H 0  0 N N N 110.097 284.976 206.637 -3.559  -6.291  1.154  H582 CDL 199 
CDL H581 1H58 H 0  0 N N N 111.411 286.230 206.817 -5.281  -6.728  1.043  H581 CDL 200 
CDL H592 2H59 H 0  0 N N N 110.728 284.624 204.580 -4.810  -8.275  -0.798 H592 CDL 201 
CDL H591 1H59 H 0  0 N N N 112.057 285.892 204.804 -3.102  -7.775  -0.818 H591 CDL 202 
CDL H602 2H60 H 0  0 N N N 113.579 284.207 205.511 -2.886  -8.577  1.551  H602 CDL 203 
CDL H601 1H60 H 0  0 N N N 112.276 282.939 205.332 -4.561  -9.174  1.468  H601 CDL 204 
CDL H612 2H61 H 0  0 N N N 112.411 284.336 202.895 -3.910  -10.593 -0.498 H612 CDL 205 
CDL H611 1H61 H 0  0 N N N 114.133 283.930 203.427 -2.225  -10.060 -0.283 H611 CDL 206 
CDL H622 2H62 H 0  0 N N N 112.199 282.305 202.137 -2.224  -10.988 2.016  H622 CDL 207 
CDL H621 1H62 H 0  0 N N N 113.935 281.940 202.739 -3.909  -11.520 1.802  H621 CDL 208 
CDL H632 2H63 H 0  0 N N N 113.184 280.446 204.138 -3.213  -12.958 -0.095 H632 CDL 209 
CDL H631 1H63 H 0  0 N N N 112.054 281.663 204.873 -1.528  -12.425 0.119  H631 CDL 210 
CDL H642 2H64 H 0  0 N N N 111.551 279.507 202.865 -1.527  -13.353 2.419  H642 CDL 211 
CDL H641 1H64 H 0  0 N N N 110.485 280.228 204.193 -3.212  -13.886 2.205  H641 CDL 212 
CDL H652 2H65 H 0  0 N N N 109.349 281.407 202.720 -2.516  -15.323 0.308  H652 CDL 213 
CDL H651 1H65 H 0  0 N N N 110.899 282.116 202.057 -0.832  -14.791 0.522  H651 CDL 214 
CDL H662 2H66 H 0  0 N N N 109.842 279.403 201.250 -0.830  -15.718 2.822  H662 CDL 215 
CDL H661 1H66 H 0  0 N N N 109.410 281.000 200.407 -2.515  -16.251 2.608  H661 CDL 216 
CDL H673 3H67 H 0  0 N N N 111.058 280.278 199.022 -0.933  -18.115 2.194  H673 CDL 217 
CDL H672 2H67 H 0  0 N N N 112.038 281.173 200.231 -1.820  -17.689 0.711  H672 CDL 218 
CDL H671 1H67 H 0  0 N N N 111.926 279.382 200.314 -0.135  -17.156 0.925  H671 CDL 219 
CDL HB62 2HB6 H 0  0 N N N 107.206 282.276 215.304 -7.809  6.732   -0.531 HB62 CDL 220 
CDL HB61 1HB6 H 0  0 N N N 108.343 282.928 214.099 -7.940  5.799   -2.041 HB61 CDL 221 
CDL H712 2H71 H 0  0 N N N 107.728 279.527 211.707 -10.325 2.823   0.005  H712 CDL 222 
CDL H711 1H71 H 0  0 N N N 106.358 280.600 211.142 -10.194 3.757   1.515  H711 CDL 223 
CDL H722 2H72 H 0  0 N N N 108.899 281.596 210.183 -12.142 5.131   0.834  H722 CDL 224 
CDL H721 1H72 H 0  0 N N N 108.648 279.842 209.717 -12.273 4.198   -0.676 H721 CDL 225 
CDL H732 2H73 H 0  0 N N N 106.216 281.046 209.216 -12.640 2.126   0.636  H732 CDL 226 
CDL H731 1H73 H 0  0 N N N 107.488 282.256 208.660 -12.509 3.060   2.146  H731 CDL 227 
CDL H742 2H74 H 0  0 N N N 108.018 279.525 207.825 -14.457 4.435   1.465  H742 CDL 228 
CDL H741 1H74 H 0  0 N N N 106.441 280.234 207.192 -14.588 3.501   -0.045 H741 CDL 229 
CDL H752 2H75 H 0  0 N N N 108.733 282.034 206.976 -14.955 1.430   1.268  H752 CDL 230 
CDL H751 1H75 H 0  0 N N N 108.885 280.478 206.021 -14.824 2.363   2.778  H751 CDL 231 
CDL H762 2H76 H 0  0 N N N 106.275 281.776 205.817 -16.772 3.738   2.096  H762 CDL 232 
CDL H761 1H76 H 0  0 N N N 107.741 282.735 205.153 -16.903 2.804   0.586  H761 CDL 233 
CDL H772 2H77 H 0  0 N N N 107.550 281.663 203.238 -17.269 0.733   1.899  H772 CDL 234 
CDL H771 1H77 H 0  0 N N N 107.868 280.124 204.066 -17.138 1.666   3.409  H771 CDL 235 
CDL H782 2H78 H 0  0 N N N 105.636 279.665 204.410 -19.086 3.041   2.728  H782 CDL 236 
CDL H781 1H78 H 0  0 N N N 105.224 281.522 204.155 -19.217 2.108   1.218  H781 CDL 237 
CDL H792 2H79 H 0  0 N N N 104.768 279.294 202.513 -19.584 0.036   2.530  H792 CDL 238 
CDL H791 1H79 H 0  0 N N N 104.406 281.149 202.361 -19.453 0.970   4.040  H791 CDL 239 
CDL H802 2H80 H 0  0 N N N 106.987 280.130 201.480 -21.401 2.344   3.359  H802 CDL 240 
CDL H801 1H80 H 0  0 N N N 105.439 279.795 200.482 -21.532 1.411   1.849  H801 CDL 241 
CDL H812 2H81 H 0  0 N N N 106.375 282.491 201.319 -21.899 -0.661  3.162  H812 CDL 242 
CDL H811 1H81 H 0  0 N N N 106.748 281.570 199.683 -21.768 0.273   4.672  H811 CDL 243 
CDL H822 2H82 H 0  0 N N N 104.750 283.437 200.335 -23.716 1.648   3.990  H822 CDL 244 
CDL H821 1H82 H 0  0 N N N 105.207 282.453 198.758 -23.847 0.714   2.481  H821 CDL 245 
CDL H832 2H83 H 0  0 N N N 103.528 280.954 199.113 -24.214 -1.357  3.793  H832 CDL 246 
CDL H831 1H83 H 0  0 N N N 103.148 281.620 200.749 -24.083 -0.424  5.303  H831 CDL 247 
CDL H842 2H84 H 0  0 N N N 101.482 282.591 199.466 -26.031 0.951   4.622  H842 CDL 248 
CDL H841 1H84 H 0  0 N N N 102.830 283.859 199.392 -26.162 0.017   3.112  H841 CDL 249 
CDL H852 2H85 H 0  0 N N N 101.883 283.772 197.258 -26.528 -2.054  4.425  H852 CDL 250 
CDL H851 1H85 H 0  0 N N N 103.467 282.824 197.215 -26.398 -1.121  5.935  H851 CDL 251 
CDL H862 2H86 H 0  0 N N N 101.303 281.047 197.751 -28.346 0.254   5.253  H862 CDL 252 
CDL H861 1H86 H 0  0 N N N 100.973 282.096 196.232 -28.476 -0.680  3.743  H861 CDL 253 
CDL H873 3H87 H 0  0 N N N 102.719 281.158 195.065 -28.843 -2.751  5.056  H873 CDL 254 
CDL H872 2H87 H 0  0 N N N 103.480 280.459 196.534 -28.712 -1.818  6.566  H872 CDL 255 
CDL H871 1H87 H 0  0 N N N 101.958 279.755 195.888 -30.067 -1.520  5.450  H871 CDL 256 
# 
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 
CDL C1  O1   SING N N 1   
CDL C1  CA2  SING N N 2   
CDL C1  CB2  SING N N 3   
CDL C1  H1   SING N N 4   
CDL O1  H1O1 SING N N 5   
CDL CA2 OA2  SING N N 6   
CDL CA2 HA22 SING N N 7   
CDL CA2 HA21 SING N N 8   
CDL OA2 PA1  SING N N 9   
CDL PA1 OA3  DOUB N N 10  
CDL PA1 OA4  SING N N 11  
CDL PA1 OA5  SING N N 12  
CDL OA5 CA3  SING N N 13  
CDL CA3 CA4  SING N N 14  
CDL CA3 HA32 SING N N 15  
CDL CA3 HA31 SING N N 16  
CDL CA4 OA6  SING N N 17  
CDL CA4 CA6  SING N N 18  
CDL CA4 HA4  SING N N 19  
CDL OA6 CA5  SING N N 20  
CDL CA5 OA7  DOUB N N 21  
CDL CA5 C11  SING N N 22  
CDL C11 C12  SING N N 23  
CDL C11 H112 SING N N 24  
CDL C11 H111 SING N N 25  
CDL C12 C13  SING N N 26  
CDL C12 H122 SING N N 27  
CDL C12 H121 SING N N 28  
CDL C13 C14  SING N N 29  
CDL C13 H132 SING N N 30  
CDL C13 H131 SING N N 31  
CDL C14 C15  SING N N 32  
CDL C14 H142 SING N N 33  
CDL C14 H141 SING N N 34  
CDL C15 C16  SING N N 35  
CDL C15 H152 SING N N 36  
CDL C15 H151 SING N N 37  
CDL C16 C17  SING N N 38  
CDL C16 H162 SING N N 39  
CDL C16 H161 SING N N 40  
CDL C17 C18  SING N N 41  
CDL C17 H172 SING N N 42  
CDL C17 H171 SING N N 43  
CDL C18 C19  SING N N 44  
CDL C18 H182 SING N N 45  
CDL C18 H181 SING N N 46  
CDL C19 C20  SING N N 47  
CDL C19 H192 SING N N 48  
CDL C19 H191 SING N N 49  
CDL C20 C21  SING N N 50  
CDL C20 H202 SING N N 51  
CDL C20 H201 SING N N 52  
CDL C21 C22  SING N N 53  
CDL C21 H212 SING N N 54  
CDL C21 H211 SING N N 55  
CDL C22 C23  SING N N 56  
CDL C22 H222 SING N N 57  
CDL C22 H221 SING N N 58  
CDL C23 C24  SING N N 59  
CDL C23 H232 SING N N 60  
CDL C23 H231 SING N N 61  
CDL C24 C25  SING N N 62  
CDL C24 H242 SING N N 63  
CDL C24 H241 SING N N 64  
CDL C25 C26  SING N N 65  
CDL C25 H252 SING N N 66  
CDL C25 H251 SING N N 67  
CDL C26 C27  SING N N 68  
CDL C26 H262 SING N N 69  
CDL C26 H261 SING N N 70  
CDL C27 H273 SING N N 71  
CDL C27 H272 SING N N 72  
CDL C27 H271 SING N N 73  
CDL CA6 OA8  SING N N 74  
CDL CA6 HA62 SING N N 75  
CDL CA6 HA61 SING N N 76  
CDL OA8 CA7  SING N N 77  
CDL CA7 OA9  DOUB N N 78  
CDL CA7 C31  SING N N 79  
CDL C31 C32  SING N N 80  
CDL C31 H312 SING N N 81  
CDL C31 H311 SING N N 82  
CDL C32 C33  SING N N 83  
CDL C32 H322 SING N N 84  
CDL C32 H321 SING N N 85  
CDL C33 C34  SING N N 86  
CDL C33 H332 SING N N 87  
CDL C33 H331 SING N N 88  
CDL C34 C35  SING N N 89  
CDL C34 H342 SING N N 90  
CDL C34 H341 SING N N 91  
CDL C35 C36  SING N N 92  
CDL C35 H352 SING N N 93  
CDL C35 H351 SING N N 94  
CDL C36 C37  SING N N 95  
CDL C36 H362 SING N N 96  
CDL C36 H361 SING N N 97  
CDL C37 C38  SING N N 98  
CDL C37 H372 SING N N 99  
CDL C37 H371 SING N N 100 
CDL C38 C39  SING N N 101 
CDL C38 H382 SING N N 102 
CDL C38 H381 SING N N 103 
CDL C39 C40  SING N N 104 
CDL C39 H392 SING N N 105 
CDL C39 H391 SING N N 106 
CDL C40 C41  SING N N 107 
CDL C40 H402 SING N N 108 
CDL C40 H401 SING N N 109 
CDL C41 C42  SING N N 110 
CDL C41 H412 SING N N 111 
CDL C41 H411 SING N N 112 
CDL C42 C43  SING N N 113 
CDL C42 H422 SING N N 114 
CDL C42 H421 SING N N 115 
CDL C43 C44  SING N N 116 
CDL C43 H432 SING N N 117 
CDL C43 H431 SING N N 118 
CDL C44 C45  SING N N 119 
CDL C44 H442 SING N N 120 
CDL C44 H441 SING N N 121 
CDL C45 C46  SING N N 122 
CDL C45 H452 SING N N 123 
CDL C45 H451 SING N N 124 
CDL C46 C47  SING N N 125 
CDL C46 H462 SING N N 126 
CDL C46 H461 SING N N 127 
CDL C47 H473 SING N N 128 
CDL C47 H472 SING N N 129 
CDL C47 H471 SING N N 130 
CDL CB2 OB2  SING N N 131 
CDL CB2 HB22 SING N N 132 
CDL CB2 HB21 SING N N 133 
CDL OB2 PB2  SING N N 134 
CDL PB2 OB3  DOUB N N 135 
CDL PB2 OB4  SING N N 136 
CDL PB2 OB5  SING N N 137 
CDL OB5 CB3  SING N N 138 
CDL CB3 CB4  SING N N 139 
CDL CB3 HB32 SING N N 140 
CDL CB3 HB31 SING N N 141 
CDL CB4 OB6  SING N N 142 
CDL CB4 CB6  SING N N 143 
CDL CB4 HB4  SING N N 144 
CDL OB6 CB5  SING N N 145 
CDL CB5 OB7  DOUB N N 146 
CDL CB5 C51  SING N N 147 
CDL C51 C52  SING N N 148 
CDL C51 H512 SING N N 149 
CDL C51 H511 SING N N 150 
CDL C52 C53  SING N N 151 
CDL C52 H522 SING N N 152 
CDL C52 H521 SING N N 153 
CDL C53 C54  SING N N 154 
CDL C53 H532 SING N N 155 
CDL C53 H531 SING N N 156 
CDL C54 C55  SING N N 157 
CDL C54 H542 SING N N 158 
CDL C54 H541 SING N N 159 
CDL C55 C56  SING N N 160 
CDL C55 H552 SING N N 161 
CDL C55 H551 SING N N 162 
CDL C56 C57  SING N N 163 
CDL C56 H562 SING N N 164 
CDL C56 H561 SING N N 165 
CDL C57 C58  SING N N 166 
CDL C57 H572 SING N N 167 
CDL C57 H571 SING N N 168 
CDL C58 C59  SING N N 169 
CDL C58 H582 SING N N 170 
CDL C58 H581 SING N N 171 
CDL C59 C60  SING N N 172 
CDL C59 H592 SING N N 173 
CDL C59 H591 SING N N 174 
CDL C60 C61  SING N N 175 
CDL C60 H602 SING N N 176 
CDL C60 H601 SING N N 177 
CDL C61 C62  SING N N 178 
CDL C61 H612 SING N N 179 
CDL C61 H611 SING N N 180 
CDL C62 C63  SING N N 181 
CDL C62 H622 SING N N 182 
CDL C62 H621 SING N N 183 
CDL C63 C64  SING N N 184 
CDL C63 H632 SING N N 185 
CDL C63 H631 SING N N 186 
CDL C64 C65  SING N N 187 
CDL C64 H642 SING N N 188 
CDL C64 H641 SING N N 189 
CDL C65 C66  SING N N 190 
CDL C65 H652 SING N N 191 
CDL C65 H651 SING N N 192 
CDL C66 C67  SING N N 193 
CDL C66 H662 SING N N 194 
CDL C66 H661 SING N N 195 
CDL C67 H673 SING N N 196 
CDL C67 H672 SING N N 197 
CDL C67 H671 SING N N 198 
CDL CB6 OB8  SING N N 199 
CDL CB6 HB62 SING N N 200 
CDL CB6 HB61 SING N N 201 
CDL OB8 CB7  SING N N 202 
CDL CB7 OB9  DOUB N N 203 
CDL CB7 C71  SING N N 204 
CDL C71 C72  SING N N 205 
CDL C71 H712 SING N N 206 
CDL C71 H711 SING N N 207 
CDL C72 C73  SING N N 208 
CDL C72 H722 SING N N 209 
CDL C72 H721 SING N N 210 
CDL C73 C74  SING N N 211 
CDL C73 H732 SING N N 212 
CDL C73 H731 SING N N 213 
CDL C74 C75  SING N N 214 
CDL C74 H742 SING N N 215 
CDL C74 H741 SING N N 216 
CDL C75 C76  SING N N 217 
CDL C75 H752 SING N N 218 
CDL C75 H751 SING N N 219 
CDL C76 C77  SING N N 220 
CDL C76 H762 SING N N 221 
CDL C76 H761 SING N N 222 
CDL C77 C78  SING N N 223 
CDL C77 H772 SING N N 224 
CDL C77 H771 SING N N 225 
CDL C78 C79  SING N N 226 
CDL C78 H782 SING N N 227 
CDL C78 H781 SING N N 228 
CDL C79 C80  SING N N 229 
CDL C79 H792 SING N N 230 
CDL C79 H791 SING N N 231 
CDL C80 C81  SING N N 232 
CDL C80 H802 SING N N 233 
CDL C80 H801 SING N N 234 
CDL C81 C82  SING N N 235 
CDL C81 H812 SING N N 236 
CDL C81 H811 SING N N 237 
CDL C82 C83  SING N N 238 
CDL C82 H822 SING N N 239 
CDL C82 H821 SING N N 240 
CDL C83 C84  SING N N 241 
CDL C83 H832 SING N N 242 
CDL C83 H831 SING N N 243 
CDL C84 C85  SING N N 244 
CDL C84 H842 SING N N 245 
CDL C84 H841 SING N N 246 
CDL C85 C86  SING N N 247 
CDL C85 H852 SING N N 248 
CDL C85 H851 SING N N 249 
CDL C86 C87  SING N N 250 
CDL C86 H862 SING N N 251 
CDL C86 H861 SING N N 252 
CDL C87 H873 SING N N 253 
CDL C87 H872 SING N N 254 
CDL C87 H871 SING N N 255 
# 
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 
CDL SMILES           ACDLabs              10.04 "Nothing to calculate!" 
CDL InChI            InChI                1.02b 
;InChI=1/C81H158O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h75-77,82H,5-74H2,1-4H3,(H,87,88)(H,89,90)/p-2/t76-,77-/m1/s1/fC81H156O17P2/q-2
;
CDL InChIKey         InChI                1.02b XVTUQDWPJJBEHJ-ARUKTVLPDH 
CDL SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OC[C@@H](O)CO[P]([O-])(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC 
CDL SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH](O)CO[P]([O-])(=O)OC[CH](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC 
CDL SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC(CO[P@](=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC 
CDL SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC 
# 
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 
CDL "SYSTEMATIC NAME" ACDLabs              10.04 "Nothing to calculate!"                                                                                                           
CDL "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[3-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-oxido-phosphoryl]oxy-2-hydroxy-propyl] [(2R)-2,3-di(octadecanoyloxy)propyl] phosphate" 
# 
