HEADER Model coordinates for PDB-CCD PLX COMPND PLX AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C23 PLX A 1 59.950 78.769 151.839 1.00 20.00 C HETATM 2 C22 PLX A 1 59.423 78.217 153.165 1.00 20.00 C HETATM 3 C21 PLX A 1 57.990 78.677 153.447 1.00 20.00 C HETATM 4 C20 PLX A 1 56.957 77.621 153.041 1.00 20.00 C HETATM 5 C19 PLX A 1 55.681 78.275 152.504 1.00 20.00 C HETATM 6 C18 PLX A 1 54.665 77.236 152.023 1.00 20.00 C HETATM 7 C17 PLX A 1 53.217 77.719 152.149 1.00 20.00 C HETATM 8 C16 PLX A 1 52.665 78.287 150.843 1.00 20.00 C HETATM 9 C15 PLX A 1 52.678 79.817 150.830 1.00 20.00 C HETATM 10 C14 PLX A 1 53.641 80.369 149.766 1.00 20.00 C HETATM 11 C13 PLX A 1 53.116 81.663 149.135 1.00 20.00 C HETATM 12 C12 PLX A 1 52.365 81.389 147.833 1.00 20.00 C HETATM 13 C11 PLX A 1 51.344 82.481 147.514 1.00 20.00 C HETATM 14 C10 PLX A 1 50.159 81.927 146.717 1.00 20.00 C HETATM 15 C9 PLX A 1 50.328 82.096 145.205 1.00 20.00 C HETATM 16 C8 PLX A 1 49.358 83.144 144.672 1.00 20.00 C HETATM 17 C7 PLX A 1 50.020 84.022 143.605 1.00 20.00 C HETATM 18 C6 PLX A 1 50.321 85.460 144.099 1.00 20.00 C HETATM 19 O7 PLX A 1 51.713 85.642 144.408 1.00 20.00 O HETATM 20 O6 PLX A 1 49.793 86.472 143.194 1.00 20.00 O HETATM 21 C4 PLX A 1 50.651 86.903 142.123 1.00 20.00 C HETATM 22 C3 PLX A 1 50.062 86.526 140.776 1.00 20.00 C HETATM 23 O4 PLX A 1 48.655 86.698 140.763 1.00 20.00 O HETATM 24 P1 PLX A 1 47.834 85.898 139.651 1.00 20.00 P HETATM 25 O1 PLX A 1 46.804 87.008 139.171 1.00 20.00 O HETATM 26 C2 PLX A 1 47.290 87.907 138.197 1.00 20.00 C HETATM 27 C1 PLX A 1 47.128 89.342 138.677 1.00 20.00 C HETATM 28 N1 PLX A 1 46.050 90.078 137.976 1.00 20.00 N HETATM 29 C1C PLX A 1 45.941 89.746 136.537 1.00 20.00 C HETATM 30 C1B PLX A 1 44.761 89.801 138.622 1.00 20.00 C HETATM 31 C1A PLX A 1 46.333 91.517 138.081 1.00 20.00 C HETATM 32 O2 PLX A 1 47.110 84.758 140.312 1.00 20.00 O HETATM 33 C5 PLX A 1 50.805 88.408 142.165 1.00 20.00 C HETATM 34 O8 PLX A 1 51.138 88.859 143.479 1.00 20.00 O HETATM 35 C24 PLX A 1 50.190 89.781 144.064 1.00 20.00 C HETATM 36 O9 PLX A 1 49.444 90.518 143.086 1.00 20.00 O HETATM 37 C25 PLX A 1 50.920 90.756 144.997 1.00 20.00 C HETATM 38 C26 PLX A 1 49.970 91.293 146.063 1.00 20.00 C HETATM 39 C27 PLX A 1 50.698 91.905 147.254 1.00 20.00 C HETATM 40 C28 PLX A 1 49.891 91.658 148.524 1.00 20.00 C HETATM 41 C29 PLX A 1 50.711 91.875 149.787 1.00 20.00 C HETATM 42 C30 PLX A 1 51.260 90.561 150.361 1.00 20.00 C HETATM 43 C31 PLX A 1 51.614 90.677 151.849 1.00 20.00 C HETATM 44 C32 PLX A 1 53.033 91.218 152.074 1.00 20.00 C HETATM 45 C33 PLX A 1 53.001 92.595 152.751 1.00 20.00 C HETATM 46 C34 PLX A 1 53.824 93.633 151.974 1.00 20.00 C HETATM 47 C35 PLX A 1 54.451 94.671 152.908 1.00 20.00 C HETATM 48 C36 PLX A 1 55.943 94.399 153.129 1.00 20.00 C HETATM 49 C37 PLX A 1 56.263 94.182 154.610 1.00 20.00 C HETATM 50 C38 PLX A 1 56.910 95.427 155.227 1.00 20.00 C HETATM 51 C39 PLX A 1 57.424 95.156 156.637 1.00 20.00 C HETATM 52 O3 PLX A 1 48.732 85.309 138.561 1.00 20.00 O HETATM 53 H231 PLX A 1 60.076 79.859 151.919 1.00 20.00 H HETATM 54 H232 PLX A 1 60.919 78.304 151.608 1.00 20.00 H HETATM 55 H233 PLX A 1 59.233 78.542 151.037 1.00 20.00 H HETATM 56 H221 PLX A 1 59.437 77.118 153.119 1.00 20.00 H HETATM 57 H222 PLX A 1 60.068 78.594 153.972 1.00 20.00 H HETATM 58 H211 PLX A 1 57.889 78.871 154.525 1.00 20.00 H HETATM 59 H212 PLX A 1 57.801 79.584 152.855 1.00 20.00 H HETATM 60 H201 PLX A 1 57.389 76.983 152.256 1.00 20.00 H HETATM 61 H202 PLX A 1 56.698 77.025 153.929 1.00 20.00 H HETATM 62 H191 PLX A 1 55.223 78.868 153.310 1.00 20.00 H HETATM 63 H192 PLX A 1 55.956 78.907 151.647 1.00 20.00 H HETATM 64 H181 PLX A 1 54.867 77.018 150.964 1.00 20.00 H HETATM 65 H182 PLX A 1 54.775 76.344 152.658 1.00 20.00 H HETATM 66 H171 PLX A 1 52.592 76.865 152.447 1.00 20.00 H HETATM 67 H172 PLX A 1 53.200 78.526 152.896 1.00 20.00 H HETATM 68 H161 PLX A 1 53.287 77.924 150.012 1.00 20.00 H HETATM 69 H162 PLX A 1 51.621 77.955 150.742 1.00 20.00 H HETATM 70 H151 PLX A 1 51.663 80.177 150.608 1.00 20.00 H HETATM 71 H152 PLX A 1 53.018 80.166 151.816 1.00 20.00 H HETATM 72 H141 PLX A 1 54.610 80.578 150.243 1.00 20.00 H HETATM 73 H142 PLX A 1 53.739 79.616 148.970 1.00 20.00 H HETATM 74 H131 PLX A 1 52.430 82.149 149.844 1.00 20.00 H HETATM 75 H132 PLX A 1 53.976 82.310 148.908 1.00 20.00 H HETATM 76 H121 PLX A 1 53.095 81.341 147.011 1.00 20.00 H HETATM 77 H122 PLX A 1 51.821 80.440 147.949 1.00 20.00 H HETATM 78 H111 PLX A 1 50.970 82.903 148.458 1.00 20.00 H HETATM 79 H112 PLX A 1 51.840 83.251 146.906 1.00 20.00 H HETATM 80 H101 PLX A 1 50.065 80.853 146.937 1.00 20.00 H HETATM 81 H102 PLX A 1 49.264 82.492 147.017 1.00 20.00 H HETATM 82 H91 PLX A 1 51.358 82.417 144.991 1.00 20.00 H HETATM 83 H92 PLX A 1 50.118 81.134 144.714 1.00 20.00 H HETATM 84 H81 PLX A 1 48.492 82.633 144.226 1.00 20.00 H HETATM 85 H82 PLX A 1 49.046 83.787 145.508 1.00 20.00 H HETATM 86 H71 PLX A 1 50.971 83.552 143.313 1.00 20.00 H HETATM 87 H72 PLX A 1 49.317 84.104 142.763 1.00 20.00 H HETATM 88 H6 PLX A 1 49.782 85.599 145.048 1.00 20.00 H HETATM 89 HO7 PLX A 1 52.214 85.682 143.602 1.00 20.00 H HETATM 90 H4 PLX A 1 51.626 86.410 142.250 1.00 20.00 H HETATM 91 H31 PLX A 1 50.506 87.168 140.001 1.00 20.00 H HETATM 92 H32 PLX A 1 50.285 85.466 140.583 1.00 20.00 H HETATM 93 H21 PLX A 1 48.356 87.704 138.017 1.00 20.00 H HETATM 94 H22 PLX A 1 46.717 87.773 137.267 1.00 20.00 H HETATM 95 H11 PLX A 1 46.887 89.320 139.750 1.00 20.00 H HETATM 96 H12 PLX A 1 48.072 89.866 138.467 1.00 20.00 H HETATM 97 H1C1 PLX A 1 45.914 90.674 135.947 1.00 20.00 H HETATM 98 H1C2 PLX A 1 46.810 89.144 136.233 1.00 20.00 H HETATM 99 H1C3 PLX A 1 45.018 89.174 136.362 1.00 20.00 H HETATM 100 H1B1 PLX A 1 44.903 89.732 139.711 1.00 20.00 H HETATM 101 H1B2 PLX A 1 44.055 90.614 138.396 1.00 20.00 H HETATM 102 H1B3 PLX A 1 44.359 88.850 138.244 1.00 20.00 H HETATM 103 H1A1 PLX A 1 46.404 91.801 139.141 1.00 20.00 H HETATM 104 H1A2 PLX A 1 47.285 91.741 137.577 1.00 20.00 H HETATM 105 H1A3 PLX A 1 45.522 92.086 137.603 1.00 20.00 H HETATM 106 H51 PLX A 1 51.608 88.703 141.474 1.00 20.00 H HETATM 107 H52 PLX A 1 49.848 88.864 141.872 1.00 20.00 H HETATM 108 H24 PLX A 1 49.467 89.175 144.630 1.00 20.00 H HETATM 109 HO9 PLX A 1 48.567 90.681 143.413 1.00 20.00 H HETATM 110 H251 PLX A 1 51.751 90.229 145.488 1.00 20.00 H HETATM 111 H252 PLX A 1 51.299 91.600 144.402 1.00 20.00 H HETATM 112 H261 PLX A 1 49.341 92.071 145.605 1.00 20.00 H HETATM 113 H262 PLX A 1 49.378 90.445 146.437 1.00 20.00 H HETATM 114 H271 PLX A 1 51.691 91.442 147.354 1.00 20.00 H HETATM 115 H272 PLX A 1 50.813 92.988 147.097 1.00 20.00 H HETATM 116 H281 PLX A 1 49.040 92.355 148.537 1.00 20.00 H HETATM 117 H282 PLX A 1 49.561 90.609 148.514 1.00 20.00 H HETATM 118 H291 PLX A 1 51.560 92.531 149.544 1.00 20.00 H HETATM 119 H292 PLX A 1 50.051 92.324 150.544 1.00 20.00 H HETATM 120 H301 PLX A 1 50.493 89.781 150.244 1.00 20.00 H HETATM 121 H302 PLX A 1 52.181 90.312 149.813 1.00 20.00 H HETATM 122 H311 PLX A 1 50.899 91.364 152.325 1.00 20.00 H HETATM 123 H312 PLX A 1 51.565 89.669 152.286 1.00 20.00 H HETATM 124 H321 PLX A 1 53.584 90.517 152.718 1.00 20.00 H HETATM 125 H322 PLX A 1 53.527 91.321 151.096 1.00 20.00 H HETATM 126 H331 PLX A 1 51.957 92.939 152.801 1.00 20.00 H HETATM 127 H332 PLX A 1 53.438 92.493 153.755 1.00 20.00 H HETATM 128 H341 PLX A 1 54.628 93.113 151.433 1.00 20.00 H HETATM 129 H342 PLX A 1 53.151 94.157 151.279 1.00 20.00 H HETATM 130 H351 PLX A 1 54.335 95.668 152.458 1.00 20.00 H HETATM 131 H352 PLX A 1 53.941 94.614 153.881 1.00 20.00 H HETATM 132 H361 PLX A 1 56.224 93.494 152.570 1.00 20.00 H HETATM 133 H362 PLX A 1 56.509 95.275 152.778 1.00 20.00 H HETATM 134 H371 PLX A 1 55.329 93.963 155.148 1.00 20.00 H HETATM 135 H372 PLX A 1 56.970 93.343 154.695 1.00 20.00 H HETATM 136 H381 PLX A 1 57.757 95.735 154.596 1.00 20.00 H HETATM 137 H382 PLX A 1 56.148 96.218 155.285 1.00 20.00 H HETATM 138 H391 PLX A 1 58.522 95.091 156.621 1.00 20.00 H HETATM 139 H392 PLX A 1 57.115 95.975 157.303 1.00 20.00 H HETATM 140 H393 PLX A 1 57.006 94.207 157.003 1.00 20.00 H HETATM 141 HO3 PLX A 1 48.227 85.187 137.766 1.00 20.00 H CONECT 1 2 53 54 55 CONECT 2 3 56 57 CONECT 3 4 58 59 CONECT 4 5 60 61 CONECT 5 6 62 63 CONECT 6 7 64 65 CONECT 7 8 66 67 CONECT 8 9 68 69 CONECT 9 10 70 71 CONECT 10 11 72 73 CONECT 11 12 74 75 CONECT 12 13 76 77 CONECT 13 14 78 79 CONECT 14 15 80 81 CONECT 15 16 82 83 CONECT 16 17 84 85 CONECT 17 18 86 87 CONECT 18 19 20 88 CONECT 19 89 CONECT 20 21 CONECT 21 22 33 90 CONECT 22 23 91 92 CONECT 23 24 CONECT 24 25 32 32 52 CONECT 25 26 CONECT 26 27 93 94 CONECT 27 28 95 96 CONECT 28 29 30 31 CONECT 29 97 98 99 CONECT 30 100 101 102 CONECT 31 103 104 105 CONECT 33 34 106 107 CONECT 34 35 CONECT 35 36 37 108 CONECT 36 109 CONECT 37 38 110 111 CONECT 38 39 112 113 CONECT 39 40 114 115 CONECT 40 41 116 117 CONECT 41 42 118 119 CONECT 42 43 120 121 CONECT 43 44 122 123 CONECT 44 45 124 125 CONECT 45 46 126 127 CONECT 46 47 128 129 CONECT 47 48 130 131 CONECT 48 49 132 133 CONECT 49 50 134 135 CONECT 50 51 136 137 CONECT 51 138 139 140 CONECT 52 141 END