data_PLD
# 
_chem_comp.id                                    PLD 
_chem_comp.name                                  "DIUNDECYL PHOSPHATIDYL CHOLINE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C50 H101 N O8 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    1 
_chem_comp.pdbx_initial_date                     2002-07-25 
_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                        875.313 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     PLD 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1LSH 
_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 
PLD C1     C1     C 0 1 N N N 70.953 33.058 37.319 -0.702  5.423  1.060  C1     PLD 1   
PLD C2     C2     C 0 1 N N R 70.580 34.411 36.747 -0.980  4.632  2.340  C2     PLD 2   
PLD C3     C3     C 0 1 N N N 69.573 35.314 37.645 0.344   4.284  3.022  C3     PLD 3   
PLD C4     C4     C 0 1 N N N ?      ?      ?      1.802   5.739  -3.113 C4     PLD 4   
PLD C5     C5     C 0 1 N N N ?      ?      ?      2.848   5.115  -4.039 C5     PLD 5   
PLD C6     C6     C 0 1 N N N ?      ?      ?      1.026   4.270  -5.351 C6     PLD 6   
PLD C7     C7     C 0 1 N N N ?      ?      ?      3.238   3.396  -5.666 C7     PLD 7   
PLD C8     C8     C 0 1 N N N ?      ?      ?      2.024   2.894  -3.659 C8     PLD 8   
PLD "C'"   "C'"   C 0 1 N N N 71.937 36.314 35.552 -3.031  3.399  1.978  "C'"   PLD 9   
PLD "C1'"  "C1'"  C 0 1 N N N 72.772 37.143 36.583 -3.767  2.129  1.634  "C1'"  PLD 10  
PLD "C2'"  "C2'"  C 0 1 N N N 73.773 38.018 35.838 -5.275  2.388  1.670  "C2'"  PLD 11  
PLD "C3'"  "C3'"  C 0 1 N N N 74.660 38.855 36.772 -6.022  1.100  1.321  "C3'"  PLD 12  
PLD "C4'"  "C4'"  C 0 1 N N N 74.758 40.352 36.444 -7.529  1.358  1.357  "C4'"  PLD 13  
PLD "C5'"  "C5'"  C 0 1 N N N 74.143 40.603 35.053 -8.277  0.070  1.008  "C5'"  PLD 14  
PLD "C6'"  "C6'"  C 0 1 N N N 75.172 41.635 34.458 -9.784  0.329  1.044  "C6'"  PLD 15  
PLD "C7'"  "C7'"  C 0 1 N N N ?      ?      ?      -10.531 -0.960 0.694  "C7'"  PLD 16  
PLD "C8'"  "C8'"  C 0 1 N N N ?      ?      ?      -12.039 -0.701 0.731  "C8'"  PLD 17  
PLD "C9'"  "C9'"  C 0 1 N N N ?      ?      ?      -12.786 -1.990 0.381  "C9'"  PLD 18  
PLD "CA'"  "'C10" C 0 1 N N N ?      ?      ?      -14.294 -1.731 0.417  "CA'"  PLD 19  
PLD "CB'"  "'C11" C 0 1 N N N ?      ?      ?      -15.041 -3.019 0.068  "CB'"  PLD 20  
PLD CB     'C"'   C 0 1 N N N 69.438 34.074 39.923 2.425   3.179  2.466  CB     PLD 21  
PLD C1B    'C1"'  C 0 1 N N N 69.262 34.787 41.280 3.316   2.453  1.492  C1B    PLD 22  
PLD C2B    'C2"'  C 0 1 N N N 70.694 35.010 41.845 4.641   2.105  2.174  C2B    PLD 23  
PLD C3B    'C3"'  C 0 1 N N N 71.460 36.163 41.151 5.546   1.368  1.185  C3B    PLD 24  
PLD C4B    'C4"'  C 0 1 N N N 70.766 37.267 40.297 6.870   1.020  1.868  C4B    PLD 25  
PLD C5B    'C5"'  C 0 1 N N N 71.449 38.652 40.494 7.776   0.283  0.879  C5B    PLD 26  
PLD C6B    'C6"'  C 0 1 N N N 70.382 39.427 41.262 9.100   -0.065 1.561  C6B    PLD 27  
PLD C7B    'C7"'  C 0 1 N N N 70.663 40.852 41.618 10.005  -0.802 0.573  C7B    PLD 28  
PLD C8B    'C8"'  C 0 1 N N N 69.904 41.143 42.876 11.330  -1.150 1.255  C8B    PLD 29  
PLD C9B    'C9"'  C 0 1 N N N 70.749 42.018 43.814 12.235  -1.887 0.266  C9B    PLD 30  
PLD CAA    '"C10' C 0 1 N N N 70.112 43.408 43.976 13.559  -2.235 0.949  CAA    PLD 31  
PLD CBA    '"C11' C 0 1 N N N 70.054 44.238 42.647 14.465  -2.972 -0.040 CBA    PLD 32  
PLD "O'"   "O'"   O 0 1 N N N 71.612 36.821 34.480 -3.649  4.407  2.226  "O'"   PLD 33  
PLD OB     'O"'   O 0 1 N N N 70.188 33.080 39.977 2.809   3.397  3.590  OB     PLD 34  
PLD O2     O2     O 0 1 N N N 71.616 34.977 35.836 -1.689  3.409  2.008  O2     PLD 35  
PLD O3     O3     O 0 1 N N N 68.784 34.600 38.694 1.203   3.585  2.084  O3     PLD 36  
PLD O1P    O1P    O 0 1 N N N 72.009 31.873 35.409 0.920   6.913  -0.704 O1P    PLD 37  
PLD O2P    O2P    O 0 1 N N N 70.866 29.734 36.083 -0.942  5.710  -1.912 O2P    PLD 38  
PLD O3P    O3P    O 0 1 N N N 70.057 32.032 36.824 0.191   4.682  0.226  O3P    PLD 39  
PLD O4P    O4P    O 0 1 N N N 69.823 31.391 34.379 1.541   4.852  -2.023 O4P    PLD 40  
PLD N      N      N 1 1 N N N ?      ?      ?      2.284   3.919  -4.679 N      PLD 41  
PLD P      P      P 0 1 N N R 70.751 31.181 35.692 0.438   5.569  -1.095 P      PLD 42  
PLD "CC'"  "'C12" C 0 1 N N N ?      ?      ?      -16.548 -2.760 0.104  "CC'"  PLD 43  
PLD "CD'"  "'C13" C 0 1 N N N ?      ?      ?      -17.296 -4.049 -0.245 "CD'"  PLD 44  
PLD "CE'"  "'C14" C 0 1 N N N ?      ?      ?      -18.803 -3.790 -0.209 "CE'"  PLD 45  
PLD "CF'"  "'C15" C 0 1 N N N ?      ?      ?      -19.551 -5.079 -0.558 "CF'"  PLD 46  
PLD "CG'"  "'C16" C 0 1 N N N ?      ?      ?      -21.058 -4.820 -0.522 "CG'"  PLD 47  
PLD "CH'"  "'C17" C 0 1 N N N ?      ?      ?      -21.805 -6.109 -0.871 "CH'"  PLD 48  
PLD "CI'"  "'C18" C 0 1 N N N ?      ?      ?      -23.313 -5.850 -0.835 "CI'"  PLD 49  
PLD "CJ'"  "'C19" C 0 1 N N N ?      ?      ?      -24.060 -7.138 -1.185 "CJ'"  PLD 50  
PLD "CK'"  "'C20" C 0 1 N N N ?      ?      ?      -25.568 -6.879 -1.149 "CK'"  PLD 51  
PLD CCA    '"C12' C 0 1 N N N 68.715 44.930 42.339 15.789  -3.320 0.642  CCA    PLD 52  
PLD CDA    '"C13' C 0 1 N N N 67.437 44.321 42.963 16.694  -4.057 -0.347 CDA    PLD 53  
PLD CEA    '"C14' C 0 1 N N N 66.344 43.902 41.980 18.019  -4.405 0.336  CEA    PLD 54  
PLD CFA    '"C15' C 0 1 N N N 65.003 44.502 42.410 18.924  -5.142 -0.653 CFA    PLD 55  
PLD CGA    '"C16' C 0 1 N N N ?      ?      ?      20.248  -5.490 0.029  CGA    PLD 56  
PLD CHA    '"C17' C 0 1 N N N ?      ?      ?      21.154  -6.227 -0.959 CHA    PLD 57  
PLD CIA    '"C18' C 0 1 N N N ?      ?      ?      22.478  -6.575 -0.277 CIA    PLD 58  
PLD CJA    '"C19' C 0 1 N N N ?      ?      ?      23.383  -7.312 -1.266 CJA    PLD 59  
PLD CKA    '"C20' C 0 1 N N N ?      ?      ?      24.708  -7.660 -0.583 CKA    PLD 60  
PLD H11    1H1    H 0 1 N N N 71.983 32.812 37.020 -1.638  5.594  0.528  H11    PLD 61  
PLD H12    2H1    H 0 1 N N N 70.874 33.101 38.415 -0.250  6.381  1.316  H12    PLD 62  
PLD H2     H2     H 0 1 N N N 69.804 34.307 35.974 -1.589  5.234  3.014  H2     PLD 63  
PLD H31    1H3    H 0 1 N N N 70.186 36.069 38.159 0.152   3.646  3.885  H31    PLD 64  
PLD H32    2H3    H 0 1 N N N 68.829 35.712 36.939 0.835   5.201  3.350  H32    PLD 65  
PLD H41    1H4    H 0 1 N N N ?      ?      ?      0.881   5.912  -3.670 H41    PLD 66  
PLD H42    2H4    H 0 1 N N N ?      ?      ?      2.177   6.687  -2.728 H42    PLD 67  
PLD H51    1H5    H 0 1 N N N ?      ?      ?      3.132   5.836  -4.805 H51    PLD 68  
PLD H52    2H5    H 0 1 N N N ?      ?      ?      3.727   4.836  -3.458 H52    PLD 69  
PLD H61    1H6    H 0 1 N N N ?      ?      ?      1.219   5.030  -6.108 H61    PLD 70  
PLD H62    2H6    H 0 1 N N N ?      ?      ?      0.608   3.383  -5.826 H62    PLD 71  
PLD H63    3H6    H 0 1 N N N ?      ?      ?      0.319   4.658  -4.619 H63    PLD 72  
PLD H71    1H7    H 0 1 N N N ?      ?      ?      4.171   3.135  -5.168 H71    PLD 73  
PLD H72    2H7    H 0 1 N N N ?      ?      ?      2.819   2.508  -6.141 H72    PLD 74  
PLD H73    3H7    H 0 1 N N N ?      ?      ?      3.430   4.156  -6.423 H73    PLD 75  
PLD H81    1H8    H 0 1 N N N ?      ?      ?      1.180   3.201  -3.042 H81    PLD 76  
PLD H82    2H8    H 0 1 N N N ?      ?      ?      1.793   1.947  -4.146 H82    PLD 77  
PLD H83    3H8    H 0 1 N N N ?      ?      ?      2.908   2.774  -3.031 H83    PLD 78  
PLD "H1'1" "1H1'" H 0 0 N N N 72.097 37.779 37.174 -3.479  1.801  0.635  "H1'1" PLD 79  
PLD "H1'2" "2H1'" H 0 0 N N N 73.311 36.458 37.254 -3.514  1.355  2.358  "H1'2" PLD 80  
PLD "H2'1" "1H2'" H 0 0 N N N 74.424 37.363 35.240 -5.563  2.716  2.669  "H2'1" PLD 81  
PLD "H2'2" "2H2'" H 0 0 N N N 73.197 38.719 35.216 -5.528  3.163  0.946  "H2'2" PLD 82  
PLD "H3'1" "1H3'" H 0 0 N N N 74.243 38.768 37.786 -5.733  0.771  0.322  "H3'1" PLD 83  
PLD "H3'2" "2H3'" H 0 0 N N N 75.678 38.455 36.658 -5.769  0.325  2.045  "H3'2" PLD 84  
PLD "H4'1" "1H4'" H 0 0 N N N 74.210 40.933 37.201 -7.818  1.687  2.355  "H4'1" PLD 85  
PLD "H4'2" "2H4'" H 0 0 N N N 75.813 40.664 36.445 -7.783  2.133  0.633  "H4'2" PLD 86  
PLD "H5'1" "1H5'" H 0 0 N N N 74.073 39.684 34.452 -7.988  -0.258 0.009  "H5'1" PLD 87  
PLD "H5'2" "2H5'" H 0 0 N N N 73.104 40.963 35.076 -8.024  -0.705 1.732  "H5'2" PLD 88  
PLD "H6'1" "1H6'" H 0 0 N N N 75.542 42.651 34.659 -10.073 0.657  2.042  "H6'1" PLD 89  
PLD "H6'2" "2H6'" H 0 0 N N N 76.244 41.807 34.279 -10.037 1.103  0.320  "H6'2" PLD 90  
PLD "H7'1" "1H7'" H 0 0 N N N ?      ?      ?      -10.243 -1.288 -0.304 "H7'1" PLD 91  
PLD "H7'2" "2H7'" H 0 0 N N N ?      ?      ?      -10.278 -1.734 1.419  "H7'2" PLD 92  
PLD "H8'1" "1H8'" H 0 0 N N N ?      ?      ?      -12.328 -0.373 1.729  "H8'1" PLD 93  
PLD "H8'2" "2H8'" H 0 0 N N N ?      ?      ?      -12.292 0.073  0.006  "H8'2" PLD 94  
PLD "H9'1" "1H9'" H 0 0 N N N ?      ?      ?      -12.498 -2.318 -0.617 "H9'1" PLD 95  
PLD "H9'2" "2H9'" H 0 0 N N N ?      ?      ?      -12.533 -2.764 1.105  "H9'2" PLD 96  
PLD "HT'1" "1HT'" H 0 0 N N N ?      ?      ?      -14.582 -1.403 1.416  "HT'1" PLD 97  
PLD "HT'2" "2HT'" H 0 0 N N N ?      ?      ?      -14.547 -0.956 -0.307 "HT'2" PLD 98  
PLD "HE'1" "1HE'" H 0 0 N N N ?      ?      ?      -14.752 -3.347 -0.930 "HE'1" PLD 99  
PLD "HE'2" "2HE'" H 0 0 N N N ?      ?      ?      -14.788 -3.794 0.792  "HE'2" PLD 100 
PLD H1A1   '1H1"' H 0 0 N N N 68.746 35.749 41.146 3.508   3.091  0.629  H1A1   PLD 101 
PLD H1A2   '2H1"' H 0 0 N N N 68.651 34.186 41.969 2.825   1.537  1.163  H1A2   PLD 102 
PLD H2A1   '1H2"' H 0 0 N N N 70.606 35.252 42.914 4.449   1.467  3.036  H2A1   PLD 103 
PLD H2A2   '2H2"' H 0 0 N N N 71.263 34.086 41.664 5.132   3.021  2.502  H2A2   PLD 104 
PLD H3A1   '1H3"' H 0 0 N N N 71.959 36.706 41.967 5.738   2.006  0.323  H3A1   PLD 105 
PLD H3A2   '2H3"' H 0 0 N N N 72.037 35.620 40.388 5.055   0.452  0.857  H3A2   PLD 106 
PLD H4A1   '1H4"' H 0 0 N N N 70.831 36.987 39.235 6.678   0.382  2.730  H4A1   PLD 107 
PLD H4A2   '2H4"' H 0 0 N N N 69.718 37.348 40.621 7.361   1.936  2.196  H4A2   PLD 108 
PLD H5A1   '1H5"' H 0 0 N N N 72.388 38.572 41.060 7.968   0.921  0.016  H5A1   PLD 109 
PLD H5A2   '2H5"' H 0 0 N N N 71.749 39.133 39.551 7.285   -0.633 0.551  H5A2   PLD 110 
PLD H6A1   '1H6"' H 0 0 N N N 69.480 39.431 40.632 8.908   -0.703 2.424  H6A1   PLD 111 
PLD H6A2   '2H6"' H 0 0 N N N 70.304 38.909 42.229 9.591   0.851  1.890  H6A2   PLD 112 
PLD H7A1   '1H7"' H 0 0 N N N 71.741 41.001 41.778 10.197  -0.164 -0.290 H7A1   PLD 113 
PLD H7A2   '2H7"' H 0 0 N N N 70.354 41.528 40.807 9.514   -1.718 0.244  H7A2   PLD 114 
PLD H8A1   '1H8"' H 0 0 N N N 68.975 41.675 42.624 11.138  -1.788 2.117  H8A1   PLD 115 
PLD H8A2   '2H8"' H 0 0 N N N 69.670 40.195 43.382 11.821  -0.233 1.583  H8A2   PLD 116 
PLD H9A1   '1H9"' H 0 0 N N N 70.811 41.533 44.800 12.427  -1.249 -0.596 H9A1   PLD 117 
PLD H9A2   '2H9"' H 0 0 N N N 71.754 42.135 43.382 11.744  -2.803 -0.062 H9A2   PLD 118 
PLD HTA1   '1HT"' H 0 0 N N N 69.082 43.271 44.337 13.367  -2.873 1.811  HTA1   PLD 119 
PLD HTA2   '2HT"' H 0 0 N N N 70.742 43.971 44.680 14.050  -1.318 1.277  HTA2   PLD 120 
PLD HEA1   '1HE"' H 0 0 N N N 70.820 45.024 42.718 14.657  -2.334 -0.903 HEA1   PLD 121 
PLD HEA2   '2HE"' H 0 0 N N N 70.210 43.513 41.834 13.974  -3.888 -0.368 HEA2   PLD 122 
PLD HOP2   2HOP   H 0 0 N N N 70.890 29.195 35.301 -1.220  4.815  -2.147 HOP2   PLD 123 
PLD "HA'1" "1HA'" H 0 0 N N N ?      ?      ?      -16.837 -2.432 1.103  "HA'1" PLD 124 
PLD "HA'2" "2HA'" H 0 0 N N N ?      ?      ?      -16.802 -1.986 -0.620 "HA'2" PLD 125 
PLD "HB'1" "1HB'" H 0 0 N N N ?      ?      ?      -17.007 -4.377 -1.244 "HB'1" PLD 126 
PLD "HB'2" "2HB'" H 0 0 N N N ?      ?      ?      -17.043 -4.823 0.479  "HB'2" PLD 127 
PLD "HC'1" "1HC'" H 0 0 N N N ?      ?      ?      -19.092 -3.462 0.790  "HC'1" PLD 128 
PLD "HC'2" "2HC'" H 0 0 N N N ?      ?      ?      -19.056 -3.016 -0.933 "HC'2" PLD 129 
PLD "HD'1" "1HD'" H 0 0 N N N ?      ?      ?      -19.262 -5.407 -1.557 "HD'1" PLD 130 
PLD "HD'2" "2HD'" H 0 0 N N N ?      ?      ?      -19.297 -5.853 0.166  "HD'2" PLD 131 
PLD "HF'1" "1HF'" H 0 0 N N N ?      ?      ?      -21.347 -4.492 0.476  "HF'1" PLD 132 
PLD "HF'2" "2HF'" H 0 0 N N N ?      ?      ?      -21.311 -4.046 -1.246 "HF'2" PLD 133 
PLD "HG'1" "1HG'" H 0 0 N N N ?      ?      ?      -21.517 -6.437 -1.870 "HG'1" PLD 134 
PLD "HG'2" "2HG'" H 0 0 N N N ?      ?      ?      -21.552 -6.883 -0.147 "HG'2" PLD 135 
PLD "HH'1" "1HH'" H 0 0 N N N ?      ?      ?      -23.601 -5.522 0.163  "HH'1" PLD 136 
PLD "HH'2" "2HH'" H 0 0 N N N ?      ?      ?      -23.566 -5.075 -1.560 "HH'2" PLD 137 
PLD "HI'1" "1HI'" H 0 0 N N N ?      ?      ?      -23.772 -7.466 -2.183 "HI'1" PLD 138 
PLD "HI'2" "2HI'" H 0 0 N N N ?      ?      ?      -23.807 -7.913 -0.460 "HI'2" PLD 139 
PLD "HJ'1" "1HJ'" H 0 0 N N N ?      ?      ?      -25.856 -6.551 -0.150 "HJ'1" PLD 140 
PLD "HJ'2" "2HJ'" H 0 0 N N N ?      ?      ?      -25.821 -6.105 -1.873 "HJ'2" PLD 141 
PLD "HJ'3" "3HJ'" H 0 0 N N N ?      ?      ?      -26.100 -7.797 -1.397 "HJ'3" PLD 142 
PLD HAA1   '1HA"' H 0 0 N N N 68.794 45.961 42.715 15.597  -3.958 1.505  HAA1   PLD 143 
PLD HAA2   '2HA"' H 0 0 N N N 68.581 44.822 41.252 16.280  -2.403 0.970  HAA2   PLD 144 
PLD HBA1   '1HB"' H 0 0 N N N 67.740 43.422 43.519 16.886  -3.419 -1.209 HBA1   PLD 145 
PLD HBA2   '2HB"' H 0 0 N N N 66.996 45.117 43.580 16.203  -4.973 -0.675 HBA2   PLD 146 
PLD HCA1   '1HC"' H 0 0 N N N 66.600 44.265 40.974 17.827  -5.043 1.198  HCA1   PLD 147 
PLD HCA2   '2HC"' H 0 0 N N N 66.265 42.805 41.970 18.510  -3.488 0.664  HCA2   PLD 148 
PLD HDA1   '1HD"' H 0 0 N N N 64.878 44.402 43.498 19.116  -4.504 -1.515 HDA1   PLD 149 
PLD HDA2   '2HD"' H 0 0 N N N 64.963 45.571 42.154 18.433  -6.058 -0.981 HDA2   PLD 150 
PLD HFA1   '1HF"' H 0 0 N N N ?      ?      ?      20.056  -6.128 0.892  HFA1   PLD 151 
PLD HFA2   '2HF"' H 0 0 N N N ?      ?      ?      20.739  -4.573 0.358  HFA2   PLD 152 
PLD HGA1   '1HG"' H 0 0 N N N ?      ?      ?      21.346  -5.589 -1.822 HGA1   PLD 153 
PLD HGA2   '2HG"' H 0 0 N N N ?      ?      ?      20.663  -7.143 -1.288 HGA2   PLD 154 
PLD HHA1   '1HH"' H 0 0 N N N ?      ?      ?      22.286  -7.213 0.586  HHA1   PLD 155 
PLD HHA2   '2HH"' H 0 0 N N N ?      ?      ?      22.969  -5.658 0.051  HHA2   PLD 156 
PLD HIA1   '1HI"' H 0 0 N N N ?      ?      ?      23.575  -6.674 -2.128 HIA1   PLD 157 
PLD HIA2   '2HI"' H 0 0 N N N ?      ?      ?      22.892  -8.228 -1.594 HIA2   PLD 158 
PLD HJA1   '1HJ"' H 0 0 N N N ?      ?      ?      24.516  -8.298 0.279  HJA1   PLD 159 
PLD HJA2   '2HJ"' H 0 0 N N N ?      ?      ?      25.353  -8.185 -1.288 HJA2   PLD 160 
PLD HJA3   '3HJ"' H 0 0 N N N ?      ?      ?      25.199  -6.743 -0.255 HJA3   PLD 161 
# 
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 
PLD C1    C2     SING N N 1   
PLD C1    O3P    SING N N 2   
PLD C1    H11    SING N N 3   
PLD C1    H12    SING N N 4   
PLD C2    C3     SING N N 5   
PLD C2    O2     SING N N 6   
PLD C2    H2     SING N N 7   
PLD C3    O3     SING N N 8   
PLD C3    H31    SING N N 9   
PLD C3    H32    SING N N 10  
PLD C4    C5     SING N N 11  
PLD C4    O4P    SING N N 12  
PLD C4    H41    SING N N 13  
PLD C4    H42    SING N N 14  
PLD C5    N      SING N N 15  
PLD C5    H51    SING N N 16  
PLD C5    H52    SING N N 17  
PLD C6    N      SING N N 18  
PLD C6    H61    SING N N 19  
PLD C6    H62    SING N N 20  
PLD C6    H63    SING N N 21  
PLD C7    N      SING N N 22  
PLD C7    H71    SING N N 23  
PLD C7    H72    SING N N 24  
PLD C7    H73    SING N N 25  
PLD C8    N      SING N N 26  
PLD C8    H81    SING N N 27  
PLD C8    H82    SING N N 28  
PLD C8    H83    SING N N 29  
PLD "C'"  "C1'"  SING N N 30  
PLD "C'"  "O'"   DOUB N N 31  
PLD "C'"  O2     SING N N 32  
PLD "C1'" "C2'"  SING N N 33  
PLD "C1'" "H1'1" SING N N 34  
PLD "C1'" "H1'2" SING N N 35  
PLD "C2'" "C3'"  SING N N 36  
PLD "C2'" "H2'1" SING N N 37  
PLD "C2'" "H2'2" SING N N 38  
PLD "C3'" "C4'"  SING N N 39  
PLD "C3'" "H3'1" SING N N 40  
PLD "C3'" "H3'2" SING N N 41  
PLD "C4'" "C5'"  SING N N 42  
PLD "C4'" "H4'1" SING N N 43  
PLD "C4'" "H4'2" SING N N 44  
PLD "C5'" "C6'"  SING N N 45  
PLD "C5'" "H5'1" SING N N 46  
PLD "C5'" "H5'2" SING N N 47  
PLD "C6'" "C7'"  SING N N 48  
PLD "C6'" "H6'1" SING N N 49  
PLD "C6'" "H6'2" SING N N 50  
PLD "C7'" "C8'"  SING N N 51  
PLD "C7'" "H7'1" SING N N 52  
PLD "C7'" "H7'2" SING N N 53  
PLD "C8'" "C9'"  SING N N 54  
PLD "C8'" "H8'1" SING N N 55  
PLD "C8'" "H8'2" SING N N 56  
PLD "C9'" "CA'"  SING N N 57  
PLD "C9'" "H9'1" SING N N 58  
PLD "C9'" "H9'2" SING N N 59  
PLD "CA'" "CB'"  SING N N 60  
PLD "CA'" "HT'1" SING N N 61  
PLD "CA'" "HT'2" SING N N 62  
PLD "CB'" "CC'"  SING N N 63  
PLD "CB'" "HE'1" SING N N 64  
PLD "CB'" "HE'2" SING N N 65  
PLD CB    C1B    SING N N 66  
PLD CB    OB     DOUB N N 67  
PLD CB    O3     SING N N 68  
PLD C1B   C2B    SING N N 69  
PLD C1B   H1A1   SING N N 70  
PLD C1B   H1A2   SING N N 71  
PLD C2B   C3B    SING N N 72  
PLD C2B   H2A1   SING N N 73  
PLD C2B   H2A2   SING N N 74  
PLD C3B   C4B    SING N N 75  
PLD C3B   H3A1   SING N N 76  
PLD C3B   H3A2   SING N N 77  
PLD C4B   C5B    SING N N 78  
PLD C4B   H4A1   SING N N 79  
PLD C4B   H4A2   SING N N 80  
PLD C5B   C6B    SING N N 81  
PLD C5B   H5A1   SING N N 82  
PLD C5B   H5A2   SING N N 83  
PLD C6B   C7B    SING N N 84  
PLD C6B   H6A1   SING N N 85  
PLD C6B   H6A2   SING N N 86  
PLD C7B   C8B    SING N N 87  
PLD C7B   H7A1   SING N N 88  
PLD C7B   H7A2   SING N N 89  
PLD C8B   C9B    SING N N 90  
PLD C8B   H8A1   SING N N 91  
PLD C8B   H8A2   SING N N 92  
PLD C9B   CAA    SING N N 93  
PLD C9B   H9A1   SING N N 94  
PLD C9B   H9A2   SING N N 95  
PLD CAA   CBA    SING N N 96  
PLD CAA   HTA1   SING N N 97  
PLD CAA   HTA2   SING N N 98  
PLD CBA   CCA    SING N N 99  
PLD CBA   HEA1   SING N N 100 
PLD CBA   HEA2   SING N N 101 
PLD O1P   P      DOUB N N 102 
PLD O2P   P      SING N N 103 
PLD O2P   HOP2   SING N N 104 
PLD O3P   P      SING N N 105 
PLD O4P   P      SING N N 106 
PLD "CC'" "CD'"  SING N N 107 
PLD "CC'" "HA'1" SING N N 108 
PLD "CC'" "HA'2" SING N N 109 
PLD "CD'" "CE'"  SING N N 110 
PLD "CD'" "HB'1" SING N N 111 
PLD "CD'" "HB'2" SING N N 112 
PLD "CE'" "CF'"  SING N N 113 
PLD "CE'" "HC'1" SING N N 114 
PLD "CE'" "HC'2" SING N N 115 
PLD "CF'" "CG'"  SING N N 116 
PLD "CF'" "HD'1" SING N N 117 
PLD "CF'" "HD'2" SING N N 118 
PLD "CG'" "CH'"  SING N N 119 
PLD "CG'" "HF'1" SING N N 120 
PLD "CG'" "HF'2" SING N N 121 
PLD "CH'" "CI'"  SING N N 122 
PLD "CH'" "HG'1" SING N N 123 
PLD "CH'" "HG'2" SING N N 124 
PLD "CI'" "CJ'"  SING N N 125 
PLD "CI'" "HH'1" SING N N 126 
PLD "CI'" "HH'2" SING N N 127 
PLD "CJ'" "CK'"  SING N N 128 
PLD "CJ'" "HI'1" SING N N 129 
PLD "CJ'" "HI'2" SING N N 130 
PLD "CK'" "HJ'1" SING N N 131 
PLD "CK'" "HJ'2" SING N N 132 
PLD "CK'" "HJ'3" SING N N 133 
PLD CCA   CDA    SING N N 134 
PLD CCA   HAA1   SING N N 135 
PLD CCA   HAA2   SING N N 136 
PLD CDA   CEA    SING N N 137 
PLD CDA   HBA1   SING N N 138 
PLD CDA   HBA2   SING N N 139 
PLD CEA   CFA    SING N N 140 
PLD CEA   HCA1   SING N N 141 
PLD CEA   HCA2   SING N N 142 
PLD CFA   CGA    SING N N 143 
PLD CFA   HDA1   SING N N 144 
PLD CFA   HDA2   SING N N 145 
PLD CGA   CHA    SING N N 146 
PLD CGA   HFA1   SING N N 147 
PLD CGA   HFA2   SING N N 148 
PLD CHA   CIA    SING N N 149 
PLD CHA   HGA1   SING N N 150 
PLD CHA   HGA2   SING N N 151 
PLD CIA   CJA    SING N N 152 
PLD CIA   HHA1   SING N N 153 
PLD CIA   HHA2   SING N N 154 
PLD CJA   CKA    SING N N 155 
PLD CJA   HIA1   SING N N 156 
PLD CJA   HIA2   SING N N 157 
PLD CKA   HJA1   SING N N 158 
PLD CKA   HJA2   SING N N 159 
PLD CKA   HJA3   SING N N 160 
# 
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 
PLD SMILES           ACDLabs              10.04 O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCCCCCCC 
PLD InChI            InChI                1.02b 
InChI=1/C50H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h48H,6-47H2,1-5H3/p+1/t48-/m1/s1/fC50H101NO8P/h54H/q+1 
PLD InChIKey         InChI                1.02b QFFSGJSMHPWZOB-LTBSRMOCDJ 
PLD SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC 
PLD SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC 
PLD SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC 
PLD SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC 
# 
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 
PLD "SYSTEMATIC NAME" ACDLabs              10.04 "(4S,7R)-7-(henicosanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphatriacontan-1-aminium 4-oxide" 
PLD "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 2-[[(2R)-2,3-di(henicosanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium                            
# 
