data_L0W # _chem_comp.id L0W _chem_comp.name "lipopolysaccharide fragment" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C95 H182 N2 O25 P2" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2019-07-11 _chem_comp.pdbx_modified_date 2019-09-20 _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 1814.408 _chem_comp.one_letter_code ? _chem_comp.three_letter_code L0W _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 6S8N _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site PDBE # # 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 L0W C4 C1 C 0 1 N N S 116.734 91.011 88.918 1.413 -1.201 -0.166 C4 L0W 1 L0W C5 C2 C 0 1 N N R 117.485 92.258 89.384 0.465 -2.033 -1.035 C5 L0W 2 L0W C6 C3 C 0 1 N N N 119.016 92.090 89.292 -0.184 -3.124 -0.180 C6 L0W 3 L0W C7 C4 C 0 1 N N N 112.257 92.496 87.850 0.824 2.997 -2.581 C7 L0W 4 L0W C8 C5 C 0 1 N N N 111.171 93.421 88.403 1.342 4.027 -3.551 C8 L0W 5 L0W N2 N1 N 0 1 N N N 113.435 92.945 88.321 1.435 1.801 -2.477 N2 L0W 6 L0W C3 C6 C 0 1 N N R 115.175 91.264 89.033 2.012 -0.075 -1.014 C3 L0W 7 L0W C1 C7 C 0 1 N N R 115.613 93.649 88.702 -0.051 -0.143 -2.417 C1 L0W 8 L0W C2 C8 C 0 1 N N R 114.812 92.477 88.140 0.876 0.765 -1.605 C2 L0W 9 L0W CAL C9 C 0 1 N N R 114.306 95.221 84.231 -5.395 1.064 -3.224 CAL L0W 10 L0W CAN C10 C 0 1 N N R 112.817 94.979 84.798 -6.126 1.127 -1.881 CAN L0W 11 L0W CAP C11 C 0 1 N N N 112.280 96.206 84.566 -7.635 1.194 -2.125 CAP L0W 12 L0W CAR C12 C 0 1 N N N 113.077 96.841 86.039 -2.718 2.081 -4.773 CAR L0W 13 L0W CAT C13 C 0 1 N N S 114.796 96.526 86.392 -3.212 0.766 -4.168 CAT L0W 14 L0W CAV C14 C 0 1 N N N 115.767 95.300 86.657 -2.012 -0.107 -3.795 CAV L0W 15 L0W CBA C15 C 0 1 N N N 120.058 93.151 87.477 -1.631 -5.030 -0.310 CBA L0W 16 L0W CDO C16 C 0 1 N N N 112.619 92.770 83.624 -6.116 -1.291 -1.578 CDO L0W 17 L0W CDP C17 C 0 1 N N N 111.940 92.146 82.418 -5.792 -2.522 -0.772 CDP L0W 18 L0W CDQ C18 C 0 1 N N R 110.753 91.265 82.764 -6.240 -3.767 -1.539 CDQ L0W 19 L0W CDR C19 C 0 1 N N N 109.732 92.066 83.559 -5.799 -5.020 -0.780 CDR L0W 20 L0W CDS C20 C 0 1 N N N 108.540 91.160 83.679 -6.137 -6.263 -1.606 CDS L0W 21 L0W CDT C21 C 0 1 N N N 107.362 91.798 84.442 -5.696 -7.516 -0.847 CDT L0W 22 L0W CDU C22 C 0 1 N N N 105.980 91.039 84.440 -6.034 -8.758 -1.673 CDU L0W 23 L0W CDV C23 C 0 1 N N N 105.143 90.959 83.103 -5.593 -10.011 -0.914 CDV L0W 24 L0W CDW C24 C 0 1 N N N 105.757 90.291 81.873 -5.930 -11.254 -1.741 CDW L0W 25 L0W CDX C25 C 0 1 N N N 106.035 88.811 82.037 -5.490 -12.507 -0.981 CDX L0W 26 L0W CDY C26 C 0 1 N N N 106.949 88.408 80.859 -5.827 -13.749 -1.808 CDY L0W 27 L0W CDZ C27 C 0 1 N N N 106.502 88.702 79.413 -5.387 -15.002 -1.048 CDZ L0W 28 L0W CEA C28 C 0 1 N N N 105.188 88.056 78.989 -5.724 -16.244 -1.875 CEA L0W 29 L0W CEB C29 C 0 1 N N N 105.003 88.438 77.533 -5.283 -17.497 -1.116 CEB L0W 30 L0W CEE C30 C 0 1 N N N 109.829 96.283 84.183 -9.668 1.266 -0.883 CEE L0W 31 L0W CEF C31 C 0 1 N N N 108.596 97.138 84.511 -10.456 1.485 0.382 CEF L0W 32 L0W CEG C32 C 0 1 N N R 108.109 96.873 85.935 -11.949 1.536 0.051 CEG L0W 33 L0W CEH C33 C 0 1 N N N 107.614 95.444 86.080 -12.755 1.647 1.347 CEH L0W 34 L0W CEI C34 C 0 1 N N N 107.216 95.209 87.540 -14.249 1.572 1.025 CEI L0W 35 L0W CEJ C35 C 0 1 N N N 106.638 93.804 87.652 -15.056 1.683 2.321 CEJ L0W 36 L0W CEK C36 C 0 1 N N N 105.334 93.744 86.851 -16.550 1.608 2.000 CEK L0W 37 L0W CEL C37 C 0 1 N N N 104.336 94.687 87.528 -17.356 1.720 3.295 CEL L0W 38 L0W CEM C38 C 0 1 N N N 102.986 94.719 86.806 -18.850 1.645 2.974 CEM L0W 39 L0W CEN C39 C 0 1 N N N 102.017 95.593 87.607 -19.657 1.756 4.269 CEN L0W 40 L0W CEO C40 C 0 1 N N N 101.897 94.902 88.970 -21.151 1.681 3.948 CEO L0W 41 L0W CEP C41 C 0 1 N N N 100.972 95.592 89.958 -21.957 1.792 5.243 CEP L0W 42 L0W CEQ C42 C 0 1 N N N 101.015 94.732 91.222 -23.451 1.717 4.922 CEQ L0W 43 L0W CER C43 C 0 1 N N N 100.121 95.317 92.303 -24.257 1.828 6.217 CER L0W 44 L0W CEW C44 C 0 1 N N R 110.787 92.915 89.793 2.279 4.991 -2.819 CEW L0W 45 L0W CEX C45 C 0 1 N N N 109.926 93.847 90.626 2.893 5.967 -3.825 CEX L0W 46 L0W CEY C46 C 0 1 N N N 110.008 93.119 91.963 3.923 6.849 -3.116 CEY L0W 47 L0W CEZ C47 C 0 1 N N N 109.144 93.649 93.091 4.537 7.825 -4.121 CEZ L0W 48 L0W CFA C48 C 0 1 N N N 109.589 92.834 94.312 5.567 8.707 -3.412 CFA L0W 49 L0W CFB C49 C 0 1 N N N 108.704 93.044 95.534 6.181 9.683 -4.418 CFB L0W 50 L0W CFC C50 C 0 1 N N N 107.396 92.432 95.046 7.211 10.565 -3.709 CFC L0W 51 L0W CFD C51 C 0 1 N N N 106.248 92.394 96.037 7.825 11.541 -4.714 CFD L0W 52 L0W CFE C52 C 0 1 N N N 105.181 91.658 95.233 8.855 12.423 -4.005 CFE L0W 53 L0W CFF C53 C 0 1 N N N 103.894 91.412 95.998 9.469 13.399 -5.010 CFF L0W 54 L0W CFG C54 C 0 1 N N N 102.966 90.642 95.056 10.498 14.281 -4.301 CFG L0W 55 L0W CFH C55 C 0 1 N N N 101.640 90.322 95.742 11.113 15.257 -5.307 CFH L0W 56 L0W CFK C56 C 0 1 N N N 114.190 89.247 89.647 4.149 0.425 -0.084 CFK L0W 57 L0W CFL C57 C 0 1 N N N 113.409 89.838 90.840 5.084 1.249 0.763 CFL L0W 58 L0W CFM C58 C 0 1 N N R 112.681 88.754 91.645 6.490 0.650 0.701 CFM L0W 59 L0W CFN C59 C 0 1 N N N 112.265 89.359 93.076 7.464 1.556 1.458 CFN L0W 60 L0W CFO C60 C 0 1 N N N 111.276 88.532 93.951 8.889 1.025 1.291 CFO L0W 61 L0W CFP C61 C 0 1 N N N 109.920 88.706 93.250 9.863 1.930 2.049 CFP L0W 62 L0W CFQ C62 C 0 1 N N N 108.714 87.866 93.626 11.288 1.399 1.882 CFQ L0W 63 L0W CFR C63 C 0 1 N N N 107.685 88.470 92.650 12.261 2.304 2.639 CFR L0W 64 L0W CFS C64 C 0 1 N N N 106.342 87.785 92.295 13.686 1.773 2.472 CFS L0W 65 L0W CFT C65 C 0 1 N N N 105.220 87.276 93.215 14.660 2.679 3.230 CFT L0W 66 L0W CFU C66 C 0 1 N N N 105.650 86.112 94.115 16.085 2.148 3.063 CFU L0W 67 L0W CFV C67 C 0 1 N N N 104.438 85.558 94.858 17.059 3.053 3.820 CFV L0W 68 L0W CFW C68 C 0 1 N N N 103.467 85.041 93.780 18.484 2.522 3.653 CFW L0W 69 L0W CFX C69 C 0 1 N N N 102.210 84.445 94.409 19.457 3.427 4.411 CFX L0W 70 L0W CGB C70 C 0 1 N N N 109.976 90.457 89.167 1.545 5.254 -0.567 CGB L0W 71 L0W CGC C71 C 0 1 N N N 108.582 89.821 89.181 0.819 5.991 0.529 CGC L0W 72 L0W CGD C72 C 0 1 N N N 108.519 88.886 87.983 1.101 5.314 1.872 CGD L0W 73 L0W CGE C73 C 0 1 N N N 107.168 88.192 87.788 0.465 6.130 2.998 CGE L0W 74 L0W CGF C74 C 0 1 N N N 106.055 89.211 87.551 0.849 5.522 4.348 CGF L0W 75 L0W CGG C75 C 0 1 N N N 104.754 88.458 87.264 0.315 6.407 5.477 CGG L0W 76 L0W CGH C76 C 0 1 N N N 103.587 89.407 86.979 0.592 5.738 6.824 CGH L0W 77 L0W CGI C77 C 0 1 N N N 103.292 90.316 88.172 -0.048 6.561 7.944 CGI L0W 78 L0W CGJ C78 C 0 1 N N N 102.126 91.249 87.817 0.123 5.830 9.277 CGJ L0W 79 L0W CGK C79 C 0 1 N N N 100.878 90.435 87.467 -0.407 6.708 10.412 CGK L0W 80 L0W CGL C80 C 0 1 N N N 99.711 91.362 87.111 -0.236 5.976 11.745 CGL L0W 81 L0W CGM C81 C 0 1 N N N 99.363 92.262 88.298 -0.766 6.854 12.880 CGM L0W 82 L0W CGN C82 C 0 1 N N N 112.127 86.634 91.144 7.364 -1.563 0.835 CGN L0W 83 L0W CGP C83 C 0 1 N N N 111.127 85.490 90.950 7.415 -2.952 1.418 CGP L0W 84 L0W CGQ C84 C 0 1 N N N 109.672 85.901 90.762 8.497 -3.765 0.705 CGQ L0W 85 L0W CGR C85 C 0 1 N N N 108.927 84.574 90.871 8.549 -5.175 1.296 CGR L0W 86 L0W CGS C86 C 0 1 N N N 109.187 83.495 89.821 9.631 -5.988 0.584 CGS L0W 87 L0W CGT C87 C 0 1 N N N 108.477 82.280 90.436 9.682 -7.398 1.175 CGT L0W 88 L0W CGU C88 C 0 1 N N N 106.981 82.433 90.739 10.765 -8.211 0.462 CGU L0W 89 L0W CGV C89 C 0 1 N N N 106.650 81.150 91.505 10.816 -9.621 1.054 CGV L0W 90 L0W CGW C90 C 0 1 N N N 105.216 81.056 92.027 11.899 -10.434 0.341 CGW L0W 91 L0W CGX C91 C 0 1 N N N 104.071 80.967 91.029 11.950 -11.844 0.932 CGX L0W 92 L0W CGY C92 C 0 1 N N N 104.259 79.680 90.225 13.033 -12.657 0.220 CGY L0W 93 L0W CGZ C93 C 0 1 N N N 103.060 79.464 89.304 13.085 -14.067 0.811 CGZ L0W 94 L0W CHA C94 C 0 1 N N N 101.822 79.325 90.206 14.167 -14.880 0.098 CHA L0W 95 L0W CHB C95 C 0 1 N N N 100.551 79.089 89.395 14.219 -16.290 0.689 CHB L0W 96 L0W NAO N2 N 0 1 N N N 112.329 94.085 83.752 -5.810 -0.070 -1.097 NAO L0W 97 L0W O1 O1 O 0 1 N N N 115.352 94.852 87.950 -1.144 0.624 -2.925 O1 L0W 98 L0W O3 O2 O 0 1 N N N 114.356 90.141 88.630 2.854 0.765 -0.180 O3 L0W 99 L0W O4 O3 O 0 1 N N N 117.181 89.748 89.639 2.461 -2.035 0.331 O4 L0W 100 L0W O5 O4 O 0 1 N N N 117.044 93.429 88.660 -0.549 -1.186 -1.578 O5 L0W 101 L0W O6 O5 O 0 1 N N N 119.425 91.944 87.929 -0.977 -3.972 -1.013 O6 L0W 102 L0W O7 O6 O 0 1 N N N 112.078 91.652 86.974 -0.144 3.245 -1.893 O7 L0W 103 L0W OAM O7 O 0 1 N N N 114.272 95.358 82.779 -5.732 2.213 -4.004 OAM L0W 104 L0W OAQ O8 O 0 1 N N N 110.953 96.738 84.811 -8.326 1.298 -0.852 OAQ L0W 105 L0W OAS O9 O 0 1 N N N 112.747 98.217 86.243 -1.836 2.727 -3.853 OAS L0W 106 L0W OAU O10 O 0 1 N N N 114.745 96.372 85.051 -3.984 1.040 -2.997 OAU L0W 107 L0W OEC O11 O 0 1 N N N 113.323 92.095 84.374 -6.654 -1.399 -2.660 OEC L0W 108 L0W OED O12 O 0 1 N N N 110.138 90.801 81.559 -7.663 -3.763 -1.665 OED L0W 109 L0W OES O13 O 0 1 N N N 109.781 95.349 83.388 -10.243 1.062 -1.926 OES L0W 110 L0W OET O14 O 0 1 N N N 109.186 97.080 86.847 -12.215 2.671 -0.775 OET L0W 111 L0W OFJ O15 O 0 1 N N N 109.956 91.730 89.655 1.528 5.732 -1.822 OFJ L0W 112 L0W OFY O16 O 0 1 N N N 114.630 88.098 89.653 4.565 -0.543 -0.677 OFY L0W 113 L0W OFZ O17 O 0 1 N N N 111.736 87.930 90.879 6.483 -0.668 1.309 OFZ L0W 114 L0W OGA O18 O 0 1 N N N 110.941 89.819 88.765 2.142 4.234 -0.317 OGA L0W 115 L0W OGO O19 O 0 1 N N N 113.268 86.317 91.487 8.117 -1.255 -0.058 OGO L0W 116 L0W OHD O20 O 0 1 N N N 116.339 89.090 91.882 1.486 -2.753 2.546 OHD L0W 117 L0W OHE O21 O 0 1 N N N 118.329 88.064 90.916 3.895 -3.358 2.093 OHE L0W 118 L0W OHF O22 O 0 1 N N N 118.434 90.341 91.872 3.174 -0.877 2.581 OHF L0W 119 L0W OHH O23 O 0 1 N N N 116.122 96.370 81.688 -5.392 1.317 -6.339 OHH L0W 120 L0W OHI O24 O 0 1 N N N 113.865 96.447 80.674 -7.760 1.406 -5.470 OHI L0W 121 L0W OHJ O25 O 0 1 N N N 114.388 97.852 82.649 -6.457 3.595 -6.120 OHJ L0W 122 L0W PHC P1 P 0 1 N N N 117.622 89.320 91.199 2.727 -2.266 1.902 PHC L0W 123 L0W PHG P2 P 0 1 N N N 114.681 96.636 81.880 -6.315 2.115 -5.502 PHG L0W 124 L0W H1 H1 H 0 1 N N N 116.955 90.876 87.849 0.859 -0.773 0.669 H1 L0W 125 L0W H2 H2 H 0 1 N N N 117.242 92.403 90.447 1.028 -2.494 -1.847 H2 L0W 126 L0W H3 H3 H 0 1 N N N 119.504 92.977 89.723 0.592 -3.715 0.306 H3 L0W 127 L0W H4 H4 H 0 1 N N N 119.316 91.195 89.857 -0.818 -2.663 0.577 H4 L0W 128 L0W H5 H5 H 0 1 N N N 111.555 94.449 88.472 1.887 3.529 -4.353 H5 L0W 129 L0W H6 H6 H 0 1 N N N 110.292 93.402 87.742 0.505 4.584 -3.972 H6 L0W 130 L0W H7 H7 H 0 1 N N N 113.356 93.752 88.906 2.246 1.625 -2.981 H7 L0W 131 L0W H8 H8 H 0 1 N N N 114.952 91.527 90.078 2.607 -0.503 -1.821 H8 L0W 132 L0W H9 H9 H 0 1 N N N 115.304 93.803 89.746 0.505 -0.579 -3.248 H9 L0W 133 L0W H10 H10 H 0 1 N N N 115.058 92.285 87.085 0.312 1.234 -0.798 H10 L0W 134 L0W H11 H11 H 0 1 N N N 114.907 94.340 84.499 -5.692 0.162 -3.758 H11 L0W 135 L0W H12 H12 H 0 1 N N N 112.795 94.585 85.825 -5.806 2.014 -1.334 H12 L0W 136 L0W H13 H13 H 0 1 N N N 112.941 96.889 85.121 -7.866 2.065 -2.737 H13 L0W 137 L0W H14 H14 H 0 1 N N N 112.424 96.353 83.486 -7.960 0.290 -2.641 H14 L0W 138 L0W H15 H15 H 0 1 N N N 112.456 96.222 86.703 -2.186 1.877 -5.703 H15 L0W 139 L0W H16 H16 H 0 1 N N N 112.872 96.575 84.991 -3.569 2.730 -4.977 H16 L0W 140 L0W H17 H17 H 0 1 N N N 115.258 97.467 86.726 -3.830 0.241 -4.896 H17 L0W 141 L0W H18 H18 H 0 1 N N N 115.630 94.513 85.901 -2.360 -1.007 -3.288 H18 L0W 142 L0W H19 H19 H 0 1 N N N 116.819 95.621 86.666 -1.470 -0.385 -4.699 H19 L0W 143 L0W H20 H20 H 0 1 N N N 120.370 93.032 86.429 -2.212 -5.628 -1.012 H20 L0W 144 L0W H21 H21 H 0 1 N N N 119.349 93.988 87.556 -0.885 -5.661 0.174 H21 L0W 145 L0W H22 H22 H 0 1 N N N 120.940 93.358 88.101 -2.295 -4.609 0.445 H22 L0W 146 L0W H23 H23 H 0 1 N N N 111.590 92.956 81.761 -4.717 -2.569 -0.598 H23 L0W 147 L0W H24 H24 H 0 1 N N N 112.681 91.534 81.883 -6.312 -2.477 0.185 H24 L0W 148 L0W H25 H25 H 0 1 N N N 111.098 90.415 83.371 -5.787 -3.766 -2.531 H25 L0W 149 L0W H26 H26 H 0 1 N N N 110.128 92.319 84.554 -4.724 -4.981 -0.606 H26 L0W 150 L0W H27 H27 H 0 1 N N N 109.464 92.990 83.025 -6.320 -5.068 0.177 H27 L0W 151 L0W H28 H28 H 0 1 N N N 108.199 90.897 82.667 -7.212 -6.302 -1.780 H28 L0W 152 L0W H29 H29 H 0 1 N N N 108.847 90.248 84.211 -5.616 -6.215 -2.562 H29 L0W 153 L0W H30 H30 H 0 1 N N N 107.673 91.908 85.491 -4.621 -7.476 -0.673 H30 L0W 154 L0W H31 H31 H 0 1 N N N 107.189 92.792 84.005 -6.217 -7.563 0.109 H31 L0W 155 L0W H32 H32 H 0 1 N N N 106.182 90.004 84.754 -7.109 -8.798 -1.847 H32 L0W 156 L0W H33 H33 H 0 1 N N N 105.342 91.532 85.189 -5.512 -8.711 -2.630 H33 L0W 157 L0W H34 H34 H 0 1 N N N 104.218 90.412 83.336 -4.518 -9.971 -0.740 H34 L0W 158 L0W H35 H35 H 0 1 N N N 104.896 91.992 82.817 -6.114 -10.059 0.042 H35 L0W 159 L0W H36 H36 H 0 1 N N N 105.063 90.419 81.030 -7.006 -11.293 -1.914 H36 L0W 160 L0W H37 H37 H 0 1 N N N 106.707 90.796 81.646 -5.409 -11.206 -2.697 H37 L0W 161 L0W H38 H38 H 0 1 N N N 106.543 88.623 82.995 -4.415 -12.467 -0.808 H38 L0W 162 L0W H39 H39 H 0 1 N N N 105.095 88.241 82.002 -6.011 -12.554 -0.025 H39 L0W 163 L0W H40 H40 H 0 1 N N N 107.909 88.925 81.008 -6.903 -13.789 -1.982 H40 L0W 164 L0W H41 H41 H 0 1 N N N 107.103 87.321 80.931 -5.306 -13.702 -2.764 H41 L0W 165 L0W H42 H42 H 0 1 N N N 106.394 89.791 79.306 -4.311 -14.962 -0.875 H42 L0W 166 L0W H43 H43 H 0 1 N N N 107.290 88.343 78.735 -5.908 -15.049 -0.092 H43 L0W 167 L0W H44 H44 H 0 1 N N N 105.245 86.963 79.096 -6.799 -16.284 -2.049 H44 L0W 168 L0W H45 H45 H 0 1 N N N 104.356 88.441 79.597 -5.203 -16.197 -2.831 H45 L0W 169 L0W H46 H46 H 0 1 N N N 104.066 88.003 77.155 -4.208 -17.458 -0.942 H46 L0W 170 L0W H47 H47 H 0 1 N N N 104.960 89.534 77.444 -5.804 -17.545 -0.160 H47 L0W 171 L0W H48 H48 H 0 1 N N N 105.849 88.055 76.943 -5.524 -18.383 -1.705 H48 L0W 172 L0W H49 H49 H 0 1 N N N 108.859 98.202 84.413 -10.265 0.666 1.076 H49 L0W 173 L0W H50 H50 H 0 1 N N N 107.790 96.893 83.804 -10.153 2.427 0.841 H50 L0W 174 L0W H51 H51 H 0 1 N N N 107.282 97.562 86.161 -12.234 0.627 -0.478 H51 L0W 175 L0W H52 H52 H 0 1 N N N 106.742 95.286 85.428 -12.486 0.828 2.014 H52 L0W 176 L0W H53 H53 H 0 1 N N N 108.414 94.744 85.797 -12.535 2.598 1.831 H53 L0W 177 L0W H54 H54 H 0 1 N N N 108.101 95.301 88.187 -14.519 2.391 0.358 H54 L0W 178 L0W H55 H55 H 0 1 N N N 106.461 95.948 87.844 -14.469 0.621 0.541 H55 L0W 179 L0W H56 H56 H 0 1 N N N 107.355 93.075 87.246 -14.786 0.865 2.988 H56 L0W 180 L0W H57 H57 H 0 1 N N N 106.435 93.570 88.708 -14.835 2.635 2.805 H57 L0W 181 L0W H58 H58 H 0 1 N N N 105.514 94.068 85.815 -16.819 2.427 1.332 H58 L0W 182 L0W H59 H59 H 0 1 N N N 104.940 92.717 86.851 -16.770 0.657 1.515 H59 L0W 183 L0W H60 H60 H 0 1 N N N 104.176 94.349 88.563 -17.087 0.901 3.962 H60 L0W 184 L0W H61 H61 H 0 1 N N N 104.758 95.703 87.535 -17.136 2.671 3.780 H61 L0W 185 L0W H62 H62 H 0 1 N N N 103.116 95.140 85.798 -19.120 2.463 2.306 H62 L0W 186 L0W H63 H63 H 0 1 N N N 102.584 93.698 86.728 -19.070 0.693 2.489 H63 L0W 187 L0W H64 H64 H 0 1 N N N 102.419 96.610 87.723 -19.387 0.937 4.936 H64 L0W 188 L0W H65 H65 H 0 1 N N N 101.037 95.640 87.110 -19.436 2.707 4.754 H65 L0W 189 L0W H66 H66 H 0 1 N N N 101.520 93.882 88.804 -21.420 2.500 3.281 H66 L0W 190 L0W H67 H67 H 0 1 N N N 102.900 94.854 89.418 -21.371 0.730 3.463 H67 L0W 191 L0W H68 H68 H 0 1 N N N 101.329 96.610 90.173 -21.687 0.974 5.911 H68 L0W 192 L0W H69 H69 H 0 1 N N N 99.948 95.639 89.559 -21.737 2.743 5.728 H69 L0W 193 L0W H70 H70 H 0 1 N N N 100.670 93.716 90.979 -23.721 2.536 4.255 H70 L0W 194 L0W H71 H71 H 0 1 N N N 102.049 94.689 91.594 -23.671 0.766 4.437 H71 L0W 195 L0W H72 H72 H 0 1 N N N 100.168 94.683 93.201 -25.322 1.775 5.989 H72 L0W 196 L0W H73 H73 H 0 1 N N N 100.464 96.332 92.553 -23.988 1.010 6.885 H73 L0W 197 L0W H74 H74 H 0 1 N N N 99.084 95.360 91.938 -24.037 2.780 6.702 H74 L0W 198 L0W H75 H75 H 0 1 N N N 111.702 92.671 90.352 3.073 4.425 -2.331 H75 L0W 199 L0W H76 H76 H 0 1 N N N 110.350 94.860 90.682 3.382 5.407 -4.622 H76 L0W 200 L0W H77 H77 H 0 1 N N N 108.894 93.902 90.249 2.108 6.594 -4.248 H77 L0W 201 L0W H78 H78 H 0 1 N N N 109.720 92.072 91.789 3.434 7.408 -2.318 H78 L0W 202 L0W H79 H79 H 0 1 N N N 111.054 93.160 92.299 4.708 6.222 -2.692 H79 L0W 203 L0W H80 H80 H 0 1 N N N 109.324 94.722 93.250 5.025 7.265 -4.919 H80 L0W 204 L0W H81 H81 H 0 1 N N N 108.078 93.484 92.878 3.752 8.452 -4.545 H81 L0W 205 L0W H82 H82 H 0 1 N N N 109.568 91.767 94.046 5.078 9.266 -2.615 H82 L0W 206 L0W H83 H83 H 0 1 N N N 110.617 93.127 94.571 6.352 8.080 -2.989 H83 L0W 207 L0W H84 H84 H 0 1 N N N 109.096 92.513 96.414 6.669 9.123 -5.215 H84 L0W 208 L0W H85 H85 H 0 1 N N N 108.588 94.112 95.771 5.396 10.310 -4.841 H85 L0W 209 L0W H86 H86 H 0 1 N N N 107.063 93.012 94.172 6.722 11.124 -2.911 H86 L0W 210 L0W H87 H87 H 0 1 N N N 107.606 91.396 94.740 7.996 9.938 -3.285 H87 L0W 211 L0W H88 H88 H 0 1 N N N 106.520 91.839 96.947 8.313 10.981 -5.512 H88 L0W 212 L0W H89 H89 H 0 1 N N N 105.918 93.407 96.310 7.040 12.168 -5.138 H89 L0W 213 L0W H90 H90 H 0 1 N N N 104.945 92.257 94.341 8.366 12.982 -3.207 H90 L0W 214 L0W H91 H91 H 0 1 N N N 105.591 90.685 94.923 9.639 11.796 -3.581 H91 L0W 215 L0W H92 H92 H 0 1 N N N 104.097 90.817 96.901 9.957 12.839 -5.808 H92 L0W 216 L0W H93 H93 H 0 1 N N N 103.434 92.369 96.285 8.684 14.026 -5.434 H93 L0W 217 L0W H94 H94 H 0 1 N N N 102.771 91.253 94.162 10.010 14.840 -3.504 H94 L0W 218 L0W H95 H95 H 0 1 N N N 103.454 89.702 94.758 11.283 13.654 -3.878 H95 L0W 219 L0W H96 H96 H 0 1 N N N 100.991 89.769 95.047 11.601 14.697 -6.105 H96 L0W 220 L0W H97 H97 H 0 1 N N N 101.828 89.707 96.635 10.328 15.884 -5.731 H97 L0W 221 L0W H98 H98 H 0 1 N N N 101.146 91.259 96.039 11.846 15.885 -4.802 H98 L0W 222 L0W H99 H99 H 0 1 N N N 114.115 90.359 91.503 5.107 2.272 0.388 H99 L0W 223 L0W H100 H100 H 0 0 N N N 112.667 90.555 90.458 4.734 1.249 1.795 H100 L0W 224 L0W H101 H101 H 0 0 N N N 113.487 88.053 91.907 6.805 0.569 -0.340 H101 L0W 225 L0W H102 H102 H 0 0 N N N 113.189 89.490 93.659 7.404 2.568 1.059 H102 L0W 226 L0W H103 H103 H 0 0 N N N 111.803 90.341 92.896 7.202 1.567 2.516 H103 L0W 227 L0W H104 H104 H 0 0 N N N 111.569 87.472 93.976 8.949 0.012 1.691 H104 L0W 228 L0W H105 H105 H 0 0 N N N 111.239 88.927 94.977 9.151 1.014 0.233 H105 L0W 229 L0W H106 H106 H 0 0 N N N 109.626 89.755 93.402 9.803 2.942 1.649 H106 L0W 230 L0W H107 H107 H 0 0 N N N 110.100 88.527 92.180 9.601 1.941 3.107 H107 L0W 231 L0W H108 H108 H 0 0 N N N 108.882 86.795 93.437 11.347 0.387 2.281 H108 L0W 232 L0W H109 H109 H 0 0 N N N 108.421 88.012 94.676 11.550 1.388 0.824 H109 L0W 233 L0W H110 H110 H 0 0 N N N 107.421 89.455 93.063 12.202 3.317 2.240 H110 L0W 234 L0W H111 H111 H 0 0 N N N 108.217 88.603 91.696 11.999 2.315 3.697 H111 L0W 235 L0W H112 H112 H 0 0 N N N 105.840 88.505 91.632 13.746 0.761 2.872 H112 L0W 236 L0W H113 H113 H 0 0 N N N 106.638 86.898 91.716 13.949 1.762 1.414 H113 L0W 237 L0W H114 H114 H 0 0 N N N 104.890 88.108 93.855 14.600 3.691 2.830 H114 L0W 238 L0W H115 H115 H 0 0 N N N 104.381 86.940 92.588 14.398 2.690 4.288 H115 L0W 239 L0W H116 H116 H 0 0 N N N 106.094 85.318 93.497 16.145 1.135 3.462 H116 L0W 240 L0W H117 H117 H 0 0 N N N 106.393 86.469 94.843 16.347 2.137 2.005 H117 L0W 241 L0W H118 H118 H 0 0 N N N 104.742 84.736 95.522 16.999 4.065 3.421 H118 L0W 242 L0W H119 H119 H 0 0 N N N 103.960 86.351 95.452 16.796 3.064 4.878 H119 L0W 243 L0W H120 H120 H 0 0 N N N 103.179 85.877 93.126 18.543 1.510 4.053 H120 L0W 244 L0W H121 H121 H 0 0 N N N 103.972 84.266 93.184 18.746 2.511 2.595 H121 L0W 245 L0W H122 H122 H 0 0 N N N 101.538 84.085 93.616 19.398 4.440 4.011 H122 L0W 246 L0W H123 H123 H 0 0 N N N 102.490 83.605 95.061 19.195 3.438 5.469 H123 L0W 247 L0W H124 H124 H 0 0 N N N 101.697 85.215 95.003 20.473 3.049 4.292 H124 L0W 248 L0W H125 H125 H 0 0 N N N 108.432 89.255 90.112 1.164 7.024 0.563 H125 L0W 249 L0W H126 H126 H 0 0 N N N 107.809 90.599 89.096 -0.253 5.972 0.331 H126 L0W 250 L0W H127 H127 H 0 0 N N N 108.738 89.472 87.078 0.679 4.309 1.868 H127 L0W 251 L0W H128 H128 H 0 0 N N N 109.288 88.110 88.112 2.178 5.255 2.029 H128 L0W 252 L0W H129 H129 H 0 0 N N N 107.231 87.521 86.919 0.821 7.159 2.948 H129 L0W 253 L0W H130 H130 H 0 0 N N N 106.932 87.605 88.688 -0.620 6.116 2.889 H130 L0W 254 L0W H131 H131 H 0 0 N N N 105.930 89.838 88.446 0.418 4.525 4.434 H131 L0W 255 L0W H132 H132 H 0 0 N N N 106.312 89.847 86.691 1.934 5.456 4.421 H132 L0W 256 L0W H133 H133 H 0 0 N N N 104.906 87.810 86.388 0.812 7.377 5.444 H133 L0W 257 L0W H134 H134 H 0 0 N N N 104.502 87.840 88.138 -0.759 6.545 5.353 H134 L0W 258 L0W H135 H135 H 0 0 N N N 103.840 90.031 86.109 0.169 4.733 6.825 H135 L0W 259 L0W H136 H136 H 0 0 N N N 102.690 88.811 86.755 1.668 5.679 6.987 H136 L0W 260 L0W H137 H137 H 0 0 N N N 103.021 89.703 89.044 0.435 7.536 8.000 H137 L0W 261 L0W H138 H138 H 0 0 N N N 104.184 90.915 88.408 -1.110 6.694 7.736 H138 L0W 262 L0W H139 H139 H 0 0 N N N 101.906 91.898 88.678 -0.434 4.893 9.251 H139 L0W 263 L0W H140 H140 H 0 0 N N N 102.408 91.869 86.953 1.180 5.620 9.443 H140 L0W 264 L0W H141 H141 H 0 0 N N N 101.099 89.786 86.607 0.149 7.644 10.438 H141 L0W 265 L0W H142 H142 H 0 0 N N N 100.597 89.815 88.331 -1.464 6.918 10.246 H142 L0W 266 L0W H143 H143 H 0 0 N N N 99.995 91.988 86.252 -0.793 5.039 11.719 H143 L0W 267 L0W H144 H144 H 0 0 N N N 98.833 90.754 86.847 0.820 5.766 11.911 H144 L0W 268 L0W H145 H145 H 0 0 N N N 98.525 92.920 88.026 -0.645 6.333 13.830 H145 L0W 269 L0W H146 H146 H 0 0 N N N 99.076 91.639 89.158 -0.210 7.791 12.906 H146 L0W 270 L0W H147 H147 H 0 0 N N N 100.238 92.873 88.563 -1.823 7.064 12.714 H147 L0W 271 L0W H148 H148 H 0 0 N N N 111.434 84.922 90.060 7.646 -2.892 2.481 H148 L0W 272 L0W H149 H149 H 0 0 N N N 111.182 84.841 91.836 6.448 -3.438 1.283 H149 L0W 273 L0W H150 H150 H 0 0 N N N 109.353 86.600 91.549 8.266 -3.825 -0.359 H150 L0W 274 L0W H151 H151 H 0 0 N N N 109.515 86.363 89.776 9.464 -3.279 0.840 H151 L0W 275 L0W H152 H152 H 0 0 N N N 109.181 84.140 91.850 8.780 -5.115 2.360 H152 L0W 276 L0W H153 H153 H 0 0 N N N 107.852 84.803 90.839 7.582 -5.661 1.161 H153 L0W 277 L0W H154 H154 H 0 0 N N N 108.747 83.767 88.850 9.400 -6.048 -0.480 H154 L0W 278 L0W H155 H155 H 0 0 N N N 110.264 83.309 89.696 10.598 -5.502 0.718 H155 L0W 279 L0W H156 H156 H 0 0 N N N 108.590 81.439 89.736 9.914 -7.338 2.238 H156 L0W 280 L0W H157 H157 H 0 0 N N N 108.985 82.041 91.382 8.716 -7.884 1.040 H157 L0W 281 L0W H158 H158 H 0 0 N N N 106.792 83.323 91.358 10.534 -8.271 -0.601 H158 L0W 282 L0W H159 H159 H 0 0 N N N 106.395 82.501 89.811 11.732 -7.725 0.597 H159 L0W 283 L0W H160 H160 H 0 0 N N N 106.824 80.297 90.832 11.048 -9.561 2.117 H160 L0W 284 L0W H161 H161 H 0 0 N N N 107.331 81.082 92.366 9.850 -10.106 0.919 H161 L0W 285 L0W H162 H162 H 0 0 N N N 105.162 80.158 92.660 11.668 -10.494 -0.723 H162 L0W 286 L0W H163 H163 H 0 0 N N N 105.038 81.950 92.643 12.866 -9.948 0.476 H163 L0W 287 L0W H164 H164 H 0 0 N N N 103.109 80.939 91.563 12.182 -11.784 1.996 H164 L0W 288 L0W H165 H165 H 0 0 N N N 104.092 81.837 90.356 10.984 -12.330 0.797 H165 L0W 289 L0W H166 H166 H 0 0 N N N 105.174 79.758 89.620 12.802 -12.717 -0.844 H166 L0W 290 L0W H167 H167 H 0 0 N N N 104.347 78.828 90.915 14.000 -12.171 0.354 H167 L0W 291 L0W H168 H168 H 0 0 N N N 102.942 80.325 88.629 13.316 -14.007 1.874 H168 L0W 292 L0W H169 H169 H 0 0 N N N 103.200 78.549 88.710 12.118 -14.552 0.676 H169 L0W 293 L0W H170 H170 H 0 0 N N N 101.972 78.475 90.887 13.936 -14.939 -0.965 H170 L0W 294 L0W H171 H171 H 0 0 N N N 101.704 80.248 90.792 15.134 -14.394 0.233 H171 L0W 295 L0W H172 H172 H 0 0 N N N 99.693 78.996 90.076 13.252 -16.775 0.555 H172 L0W 296 L0W H173 H173 H 0 0 N N N 100.388 79.937 88.714 14.990 -16.869 0.182 H173 L0W 297 L0W H174 H174 H 0 0 N N N 100.656 78.164 88.809 14.450 -16.230 1.753 H174 L0W 298 L0W H175 H175 H 0 0 N N N 111.722 94.483 83.064 -5.380 0.017 -0.232 H175 L0W 299 L0W H176 H176 H 0 0 N N N 111.828 98.355 86.048 -1.546 3.605 -4.136 H176 L0W 300 L0W H177 H177 H 0 0 N N N 109.395 90.250 81.774 -8.133 -3.764 -0.820 H177 L0W 301 L0W H178 H178 H 0 0 N N N 108.887 96.916 87.734 -11.985 3.517 -0.367 H178 L0W 302 L0W H179 H179 H 0 0 N N N 117.814 87.332 91.233 4.108 -3.548 3.017 H179 L0W 303 L0W H180 H180 H 0 0 N N N 117.968 90.665 92.634 3.982 -0.499 2.208 H180 L0W 304 L0W H181 H181 H 0 0 N N N 114.422 96.177 79.953 -8.417 1.876 -4.938 H181 L0W 305 L0W H182 H182 H 0 0 N N N 115.202 98.273 82.899 -6.803 3.613 -7.023 H182 L0W 306 # # 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 L0W C4 C5 SING N N 1 L0W C4 C3 SING N N 2 L0W C4 O4 SING N N 3 L0W C5 C6 SING N N 4 L0W C5 O5 SING N N 5 L0W C6 O6 SING N N 6 L0W C7 C8 SING N N 7 L0W C7 N2 SING N N 8 L0W C7 O7 DOUB N N 9 L0W C8 CEW SING N N 10 L0W N2 C2 SING N N 11 L0W C3 C2 SING N N 12 L0W C3 O3 SING N N 13 L0W C1 C2 SING N N 14 L0W C1 O1 SING N N 15 L0W C1 O5 SING N N 16 L0W CAL CAN SING N N 17 L0W CAL OAM SING N N 18 L0W CAL OAU SING N N 19 L0W CAN CAP SING N N 20 L0W CAN NAO SING N N 21 L0W CAP OAQ SING N N 22 L0W CAR OAS SING N N 23 L0W CAT CAV SING N N 24 L0W CAT OAU SING N N 25 L0W CAV O1 SING N N 26 L0W CBA O6 SING N N 27 L0W CDO CDP SING N N 28 L0W CDO NAO SING N N 29 L0W CDO OEC DOUB N N 30 L0W CDP CDQ SING N N 31 L0W CDQ CDR SING N N 32 L0W CDQ OED SING N N 33 L0W CDR CDS SING N N 34 L0W CDS CDT SING N N 35 L0W CDT CDU SING N N 36 L0W CDU CDV SING N N 37 L0W CDV CDW SING N N 38 L0W CDW CDX SING N N 39 L0W CDX CDY SING N N 40 L0W CDY CDZ SING N N 41 L0W CDZ CEA SING N N 42 L0W CEA CEB SING N N 43 L0W CEE CEF SING N N 44 L0W CEE OAQ SING N N 45 L0W CEE OES DOUB N N 46 L0W CEF CEG SING N N 47 L0W CEG CEH SING N N 48 L0W CEG OET SING N N 49 L0W CEH CEI SING N N 50 L0W CEI CEJ SING N N 51 L0W CEJ CEK SING N N 52 L0W CEK CEL SING N N 53 L0W CEL CEM SING N N 54 L0W CEM CEN SING N N 55 L0W CEN CEO SING N N 56 L0W CEO CEP SING N N 57 L0W CEP CEQ SING N N 58 L0W CEQ CER SING N N 59 L0W CEW CEX SING N N 60 L0W CEW OFJ SING N N 61 L0W CEX CEY SING N N 62 L0W CEY CEZ SING N N 63 L0W CEZ CFA SING N N 64 L0W CFA CFB SING N N 65 L0W CFB CFC SING N N 66 L0W CFC CFD SING N N 67 L0W CFD CFE SING N N 68 L0W CFE CFF SING N N 69 L0W CFF CFG SING N N 70 L0W CFG CFH SING N N 71 L0W CFK CFL SING N N 72 L0W CFK O3 SING N N 73 L0W CFK OFY DOUB N N 74 L0W CFL CFM SING N N 75 L0W CFM CFN SING N N 76 L0W CFM OFZ SING N N 77 L0W CFN CFO SING N N 78 L0W CFO CFP SING N N 79 L0W CFP CFQ SING N N 80 L0W CFQ CFR SING N N 81 L0W CFR CFS SING N N 82 L0W CFS CFT SING N N 83 L0W CFT CFU SING N N 84 L0W CFU CFV SING N N 85 L0W CFV CFW SING N N 86 L0W CFW CFX SING N N 87 L0W CGB CGC SING N N 88 L0W CGB OFJ SING N N 89 L0W CGB OGA DOUB N N 90 L0W CGC CGD SING N N 91 L0W CGD CGE SING N N 92 L0W CGE CGF SING N N 93 L0W CGF CGG SING N N 94 L0W CGG CGH SING N N 95 L0W CGH CGI SING N N 96 L0W CGI CGJ SING N N 97 L0W CGJ CGK SING N N 98 L0W CGK CGL SING N N 99 L0W CGL CGM SING N N 100 L0W CGN CGP SING N N 101 L0W CGN OFZ SING N N 102 L0W CGN OGO DOUB N N 103 L0W CGP CGQ SING N N 104 L0W CGQ CGR SING N N 105 L0W CGR CGS SING N N 106 L0W CGS CGT SING N N 107 L0W CGT CGU SING N N 108 L0W CGU CGV SING N N 109 L0W CGV CGW SING N N 110 L0W CGW CGX SING N N 111 L0W CGX CGY SING N N 112 L0W CGY CGZ SING N N 113 L0W CGZ CHA SING N N 114 L0W CHA CHB SING N N 115 L0W O4 PHC SING N N 116 L0W OAM PHG SING N N 117 L0W OHD PHC DOUB N N 118 L0W OHE PHC SING N N 119 L0W OHF PHC SING N N 120 L0W OHH PHG DOUB N N 121 L0W OHI PHG SING N N 122 L0W OHJ PHG SING N N 123 L0W CAT CAR SING N N 124 L0W C4 H1 SING N N 125 L0W C5 H2 SING N N 126 L0W C6 H3 SING N N 127 L0W C6 H4 SING N N 128 L0W C8 H5 SING N N 129 L0W C8 H6 SING N N 130 L0W N2 H7 SING N N 131 L0W C3 H8 SING N N 132 L0W C1 H9 SING N N 133 L0W C2 H10 SING N N 134 L0W CAL H11 SING N N 135 L0W CAN H12 SING N N 136 L0W CAP H13 SING N N 137 L0W CAP H14 SING N N 138 L0W CAR H15 SING N N 139 L0W CAR H16 SING N N 140 L0W CAT H17 SING N N 141 L0W CAV H18 SING N N 142 L0W CAV H19 SING N N 143 L0W CBA H20 SING N N 144 L0W CBA H21 SING N N 145 L0W CBA H22 SING N N 146 L0W CDP H23 SING N N 147 L0W CDP H24 SING N N 148 L0W CDQ H25 SING N N 149 L0W CDR H26 SING N N 150 L0W CDR H27 SING N N 151 L0W CDS H28 SING N N 152 L0W CDS H29 SING N N 153 L0W CDT H30 SING N N 154 L0W CDT H31 SING N N 155 L0W CDU H32 SING N N 156 L0W CDU H33 SING N N 157 L0W CDV H34 SING N N 158 L0W CDV H35 SING N N 159 L0W CDW H36 SING N N 160 L0W CDW H37 SING N N 161 L0W CDX H38 SING N N 162 L0W CDX H39 SING N N 163 L0W CDY H40 SING N N 164 L0W CDY H41 SING N N 165 L0W CDZ H42 SING N N 166 L0W CDZ H43 SING N N 167 L0W CEA H44 SING N N 168 L0W CEA H45 SING N N 169 L0W CEB H46 SING N N 170 L0W CEB H47 SING N N 171 L0W CEB H48 SING N N 172 L0W CEF H49 SING N N 173 L0W CEF H50 SING N N 174 L0W CEG H51 SING N N 175 L0W CEH H52 SING N N 176 L0W CEH H53 SING N N 177 L0W CEI H54 SING N N 178 L0W CEI H55 SING N N 179 L0W CEJ H56 SING N N 180 L0W CEJ H57 SING N N 181 L0W CEK H58 SING N N 182 L0W CEK H59 SING N N 183 L0W CEL H60 SING N N 184 L0W CEL H61 SING N N 185 L0W CEM H62 SING N N 186 L0W CEM H63 SING N N 187 L0W CEN H64 SING N N 188 L0W CEN H65 SING N N 189 L0W CEO H66 SING N N 190 L0W CEO H67 SING N N 191 L0W CEP H68 SING N N 192 L0W CEP H69 SING N N 193 L0W CEQ H70 SING N N 194 L0W CEQ H71 SING N N 195 L0W CER H72 SING N N 196 L0W CER H73 SING N N 197 L0W CER H74 SING N N 198 L0W CEW H75 SING N N 199 L0W CEX H76 SING N N 200 L0W CEX H77 SING N N 201 L0W CEY H78 SING N N 202 L0W CEY H79 SING N N 203 L0W CEZ H80 SING N N 204 L0W CEZ H81 SING N N 205 L0W CFA H82 SING N N 206 L0W CFA H83 SING N N 207 L0W CFB H84 SING N N 208 L0W CFB H85 SING N N 209 L0W CFC H86 SING N N 210 L0W CFC H87 SING N N 211 L0W CFD H88 SING N N 212 L0W CFD H89 SING N N 213 L0W CFE H90 SING N N 214 L0W CFE H91 SING N N 215 L0W CFF H92 SING N N 216 L0W CFF H93 SING N N 217 L0W CFG H94 SING N N 218 L0W CFG H95 SING N N 219 L0W CFH H96 SING N N 220 L0W CFH H97 SING N N 221 L0W CFH H98 SING N N 222 L0W CFL H99 SING N N 223 L0W CFL H100 SING N N 224 L0W CFM H101 SING N N 225 L0W CFN H102 SING N N 226 L0W CFN H103 SING N N 227 L0W CFO H104 SING N N 228 L0W CFO H105 SING N N 229 L0W CFP H106 SING N N 230 L0W CFP H107 SING N N 231 L0W CFQ H108 SING N N 232 L0W CFQ H109 SING N N 233 L0W CFR H110 SING N N 234 L0W CFR H111 SING N N 235 L0W CFS H112 SING N N 236 L0W CFS H113 SING N N 237 L0W CFT H114 SING N N 238 L0W CFT H115 SING N N 239 L0W CFU H116 SING N N 240 L0W CFU H117 SING N N 241 L0W CFV H118 SING N N 242 L0W CFV H119 SING N N 243 L0W CFW H120 SING N N 244 L0W CFW H121 SING N N 245 L0W CFX H122 SING N N 246 L0W CFX H123 SING N N 247 L0W CFX H124 SING N N 248 L0W CGC H125 SING N N 249 L0W CGC H126 SING N N 250 L0W CGD H127 SING N N 251 L0W CGD H128 SING N N 252 L0W CGE H129 SING N N 253 L0W CGE H130 SING N N 254 L0W CGF H131 SING N N 255 L0W CGF H132 SING N N 256 L0W CGG H133 SING N N 257 L0W CGG H134 SING N N 258 L0W CGH H135 SING N N 259 L0W CGH H136 SING N N 260 L0W CGI H137 SING N N 261 L0W CGI H138 SING N N 262 L0W CGJ H139 SING N N 263 L0W CGJ H140 SING N N 264 L0W CGK H141 SING N N 265 L0W CGK H142 SING N N 266 L0W CGL H143 SING N N 267 L0W CGL H144 SING N N 268 L0W CGM H145 SING N N 269 L0W CGM H146 SING N N 270 L0W CGM H147 SING N N 271 L0W CGP H148 SING N N 272 L0W CGP H149 SING N N 273 L0W CGQ H150 SING N N 274 L0W CGQ H151 SING N N 275 L0W CGR H152 SING N N 276 L0W CGR H153 SING N N 277 L0W CGS H154 SING N N 278 L0W CGS H155 SING N N 279 L0W CGT H156 SING N N 280 L0W CGT H157 SING N N 281 L0W CGU H158 SING N N 282 L0W CGU H159 SING N N 283 L0W CGV H160 SING N N 284 L0W CGV H161 SING N N 285 L0W CGW H162 SING N N 286 L0W CGW H163 SING N N 287 L0W CGX H164 SING N N 288 L0W CGX H165 SING N N 289 L0W CGY H166 SING N N 290 L0W CGY H167 SING N N 291 L0W CGZ H168 SING N N 292 L0W CGZ H169 SING N N 293 L0W CHA H170 SING N N 294 L0W CHA H171 SING N N 295 L0W CHB H172 SING N N 296 L0W CHB H173 SING N N 297 L0W CHB H174 SING N N 298 L0W NAO H175 SING N N 299 L0W OAS H176 SING N N 300 L0W OED H177 SING N N 301 L0W OET H178 SING N N 302 L0W OHE H179 SING N N 303 L0W OHF H180 SING N N 304 L0W OHI H181 SING N N 305 L0W OHJ H182 SING N N 306 # # 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 L0W InChI InChI 1.03 "InChI=1S/C95H182N2O25P2/c1-8-14-20-26-32-38-39-45-51-57-63-69-88(104)117-81(67-61-55-49-43-36-30-24-18-12-5)73-90(106)120-93-91(97-86(102)72-80(66-60-54-48-42-35-29-23-17-11-4)116-87(103)68-62-56-50-44-37-31-25-19-13-6)95(119-84(77-113-7)92(93)121-123(107,108)109)115-75-82(74-98)118-94(122-124(110,111)112)83(96-85(101)70-78(99)64-58-52-46-40-33-27-21-15-9-2)76-114-89(105)71-79(100)65-59-53-47-41-34-28-22-16-10-3/h78-84,91-95,98-100H,8-77H2,1-7H3,(H,96,101)(H,97,102)(H2,107,108,109)(H2,110,111,112)/t78-,79-,80-,81-,82+,83-,84-,91-,92-,93-,94-,95-/m1/s1" L0W InChIKey InChI 1.03 WFPYFXOOZWPZCO-PICFCIIGSA-N L0W SMILES_CANONICAL CACTVS 3.385 "CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H](CO)O[C@H](O[P](O)(O)=O)[C@@H](COC(=O)C[C@H](O)CCCCCCCCCCC)NC(=O)C[C@H](O)CCCCCCCCCCC)O[C@H](COC)[C@H]1O[P](O)(O)=O" L0W SMILES CACTVS 3.385 "CCCCCCCCCCCCCC(=O)O[CH](CCCCCCCCCCC)CC(=O)O[CH]1[CH](NC(=O)C[CH](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[CH](OC[CH](CO)O[CH](O[P](O)(O)=O)[CH](COC(=O)C[CH](O)CCCCCCCCCCC)NC(=O)C[CH](O)CCCCCCCCCCC)O[CH](COC)[CH]1O[P](O)(O)=O" L0W SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)(O)O)COC)OC[C@H](CO)O[C@@H]([C@@H](COC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OP(=O)(O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC" L0W SMILES "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)(O)O)COC)OCC(CO)OC(C(COC(=O)CC(CCCCCCCCCCC)O)NC(=O)CC(CCCCCCCCCCC)O)OP(=O)(O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC" # _pdbx_chem_comp_identifier.comp_id L0W _pdbx_chem_comp_identifier.type "SYSTEMATIC NAME" _pdbx_chem_comp_identifier.program "OpenEye OEToolkits" _pdbx_chem_comp_identifier.program_version 2.0.7 _pdbx_chem_comp_identifier.identifier "[(2~{R},3~{R})-3-[(2~{S})-1-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-(methoxymethyl)-5-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]oxy-3-oxidanyl-propan-2-yl]oxy-2-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-3-phosphonooxy-propyl] (3~{R})-3-oxidanyltetradecanoate" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site L0W "Create component" 2019-07-11 PDBE L0W "Initial release" 2019-09-25 RCSB ##