HEADER Ideal coordinates for PDB-CCD PLX COMPND PLX AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 C23 PLX A 1 19.603 8.246 -1.691 1.00 20.00 C HETATM 2 C22 PLX A 1 18.895 6.960 -2.108 1.00 20.00 C HETATM 3 C21 PLX A 1 17.537 6.824 -1.409 1.00 20.00 C HETATM 4 C20 PLX A 1 16.828 5.532 -1.831 1.00 20.00 C HETATM 5 C19 PLX A 1 15.470 5.395 -1.132 1.00 20.00 C HETATM 6 C18 PLX A 1 14.761 4.103 -1.554 1.00 20.00 C HETATM 7 C17 PLX A 1 13.403 3.966 -0.856 1.00 20.00 C HETATM 8 C16 PLX A 1 12.695 2.674 -1.277 1.00 20.00 C HETATM 9 C15 PLX A 1 11.337 2.537 -0.579 1.00 20.00 C HETATM 10 C14 PLX A 1 10.628 1.244 -1.000 1.00 20.00 C HETATM 11 C13 PLX A 1 9.270 1.108 -0.302 1.00 20.00 C HETATM 12 C12 PLX A 1 8.561 -0.185 -0.724 1.00 20.00 C HETATM 13 C11 PLX A 1 7.203 -0.321 -0.025 1.00 20.00 C HETATM 14 C10 PLX A 1 6.494 -1.613 -0.447 1.00 20.00 C HETATM 15 C9 PLX A 1 5.136 -1.750 0.252 1.00 20.00 C HETATM 16 C8 PLX A 1 4.427 -3.042 -0.171 1.00 20.00 C HETATM 17 C7 PLX A 1 3.068 -3.177 0.530 1.00 20.00 C HETATM 18 C6 PLX A 1 2.325 -4.449 0.097 1.00 20.00 C HETATM 19 O7 PLX A 1 3.058 -5.593 0.459 1.00 20.00 O HETATM 20 O6 PLX A 1 1.051 -4.466 0.718 1.00 20.00 O HETATM 21 C4 PLX A 1 0.162 -5.355 0.058 1.00 20.00 C HETATM 22 C3 PLX A 1 -0.721 -6.043 1.108 1.00 20.00 C HETATM 23 O4 PLX A 1 -1.379 -5.075 1.893 1.00 20.00 O HETATM 24 P1 PLX A 1 -2.453 -5.869 2.952 1.00 20.00 P HETATM 25 O1 PLX A 1 -3.243 -4.686 3.894 1.00 20.00 O HETATM 26 C2 PLX A 1 -4.216 -5.320 4.691 1.00 20.00 C HETATM 27 C1 PLX A 1 -4.907 -4.252 5.560 1.00 20.00 C HETATM 28 N1 PLX A 1 -5.983 -4.759 6.468 1.00 20.00 N HETATM 29 C1C PLX A 1 -5.448 -5.739 7.444 1.00 20.00 C HETATM 30 C1B PLX A 1 -6.525 -3.601 7.221 1.00 20.00 C HETATM 31 C1A PLX A 1 -7.092 -5.375 5.700 1.00 20.00 C HETATM 32 O2 PLX A 1 -1.682 -6.806 3.855 1.00 20.00 O HETATM 33 C5 PLX A 1 -0.687 -4.583 -0.968 1.00 20.00 C HETATM 34 O8 PLX A 1 -1.311 -3.479 -0.342 1.00 20.00 O HETATM 35 C24 PLX A 1 -2.044 -2.723 -1.289 1.00 20.00 C HETATM 36 O9 PLX A 1 -1.174 -1.938 -2.067 1.00 20.00 O HETATM 37 C25 PLX A 1 -3.041 -1.830 -0.537 1.00 20.00 C HETATM 38 C26 PLX A 1 -3.939 -1.038 -1.497 1.00 20.00 C HETATM 39 C27 PLX A 1 -4.947 -0.180 -0.724 1.00 20.00 C HETATM 40 C28 PLX A 1 -5.845 0.613 -1.681 1.00 20.00 C HETATM 41 C29 PLX A 1 -6.854 1.469 -0.907 1.00 20.00 C HETATM 42 C30 PLX A 1 -7.753 2.262 -1.864 1.00 20.00 C HETATM 43 C31 PLX A 1 -8.761 3.118 -1.090 1.00 20.00 C HETATM 44 C32 PLX A 1 -9.660 3.910 -2.047 1.00 20.00 C HETATM 45 C33 PLX A 1 -10.669 4.767 -1.272 1.00 20.00 C HETATM 46 C34 PLX A 1 -11.568 5.559 -2.229 1.00 20.00 C HETATM 47 C35 PLX A 1 -12.577 6.416 -1.455 1.00 20.00 C HETATM 48 C36 PLX A 1 -13.476 7.208 -2.412 1.00 20.00 C HETATM 49 C37 PLX A 1 -14.484 8.064 -1.638 1.00 20.00 C HETATM 50 C38 PLX A 1 -15.383 8.856 -2.595 1.00 20.00 C HETATM 51 C39 PLX A 1 -16.388 9.710 -1.828 1.00 20.00 C HETATM 52 O3 PLX A 1 -3.591 -6.750 2.057 1.00 20.00 O HETATM 53 H231 PLX A 1 18.990 9.131 -1.965 1.00 20.00 H HETATM 54 H232 PLX A 1 19.784 8.248 -0.595 1.00 20.00 H HETATM 55 H233 PLX A 1 20.581 8.317 -2.212 1.00 20.00 H HETATM 56 H221 PLX A 1 18.750 6.971 -3.211 1.00 20.00 H HETATM 57 H222 PLX A 1 19.540 6.093 -1.847 1.00 20.00 H HETATM 58 H211 PLX A 1 17.690 6.818 -0.307 1.00 20.00 H HETATM 59 H212 PLX A 1 16.899 7.697 -1.673 1.00 20.00 H HETATM 60 H201 PLX A 1 16.676 5.539 -2.933 1.00 20.00 H HETATM 61 H202 PLX A 1 17.467 4.660 -1.568 1.00 20.00 H HETATM 62 H191 PLX A 1 15.623 5.388 -0.030 1.00 20.00 H HETATM 63 H192 PLX A 1 14.832 6.267 -1.396 1.00 20.00 H HETATM 64 H181 PLX A 1 14.609 4.109 -2.656 1.00 20.00 H HETATM 65 H182 PLX A 1 15.400 3.230 -1.291 1.00 20.00 H HETATM 66 H171 PLX A 1 13.556 3.959 0.246 1.00 20.00 H HETATM 67 H172 PLX A 1 12.765 4.838 -1.119 1.00 20.00 H HETATM 68 H161 PLX A 1 12.542 2.680 -2.379 1.00 20.00 H HETATM 69 H162 PLX A 1 13.333 1.801 -1.014 1.00 20.00 H HETATM 70 H151 PLX A 1 11.489 2.530 0.523 1.00 20.00 H HETATM 71 H152 PLX A 1 10.698 3.409 -0.842 1.00 20.00 H HETATM 72 H141 PLX A 1 10.476 1.251 -2.102 1.00 20.00 H HETATM 73 H142 PLX A 1 11.266 0.372 -0.737 1.00 20.00 H HETATM 74 H131 PLX A 1 9.422 1.101 0.800 1.00 20.00 H HETATM 75 H132 PLX A 1 8.632 1.980 -0.565 1.00 20.00 H HETATM 76 H121 PLX A 1 8.409 -0.178 -1.826 1.00 20.00 H HETATM 77 H122 PLX A 1 9.199 -1.057 -0.460 1.00 20.00 H HETATM 78 H111 PLX A 1 7.355 -0.328 1.077 1.00 20.00 H HETATM 79 H112 PLX A 1 6.565 0.551 -0.288 1.00 20.00 H HETATM 80 H101 PLX A 1 6.342 -1.607 -1.549 1.00 20.00 H HETATM 81 H102 PLX A 1 7.132 -2.486 -0.184 1.00 20.00 H HETATM 82 H91 PLX A 1 5.288 -1.757 1.354 1.00 20.00 H HETATM 83 H92 PLX A 1 4.498 -0.877 -0.011 1.00 20.00 H HETATM 84 H81 PLX A 1 4.274 -3.034 -1.272 1.00 20.00 H HETATM 85 H82 PLX A 1 5.067 -3.913 0.091 1.00 20.00 H HETATM 86 H71 PLX A 1 3.214 -3.191 1.632 1.00 20.00 H HETATM 87 H72 PLX A 1 2.438 -2.296 0.277 1.00 20.00 H HETATM 88 H6 PLX A 1 2.231 -4.419 -1.014 1.00 20.00 H HETATM 89 HO7 PLX A 1 3.031 -5.656 1.450 1.00 20.00 H HETATM 90 H4 PLX A 1 0.696 -6.174 -0.484 1.00 20.00 H HETATM 91 H31 PLX A 1 -1.447 -6.704 0.579 1.00 20.00 H HETATM 92 H32 PLX A 1 -0.064 -6.672 1.749 1.00 20.00 H HETATM 93 H21 PLX A 1 -4.973 -5.808 4.040 1.00 20.00 H HETATM 94 H22 PLX A 1 -3.733 -6.073 5.349 1.00 20.00 H HETATM 95 H11 PLX A 1 -4.115 -3.744 6.158 1.00 20.00 H HETATM 96 H12 PLX A 1 -5.325 -3.479 4.873 1.00 20.00 H HETATM 97 H1C1 PLX A 1 -4.552 -5.335 7.967 1.00 20.00 H HETATM 98 H1C2 PLX A 1 -6.210 -5.992 8.215 1.00 20.00 H HETATM 99 H1C3 PLX A 1 -5.167 -6.695 6.953 1.00 20.00 H HETATM 100 H1B1 PLX A 1 -6.952 -2.839 6.531 1.00 20.00 H HETATM 101 H1B2 PLX A 1 -7.335 -3.914 7.919 1.00 20.00 H HETATM 102 H1B3 PLX A 1 -5.731 -3.109 7.827 1.00 20.00 H HETATM 103 H1A1 PLX A 1 -6.786 -6.337 5.238 1.00 20.00 H HETATM 104 H1A2 PLX A 1 -7.957 -5.604 6.362 1.00 20.00 H HETATM 105 H1A3 PLX A 1 -7.447 -4.694 4.895 1.00 20.00 H HETATM 106 H51 PLX A 1 -0.020 -4.241 -1.791 1.00 20.00 H HETATM 107 H52 PLX A 1 -1.447 -5.274 -1.398 1.00 20.00 H HETATM 108 H24 PLX A 1 -2.634 -3.385 -1.966 1.00 20.00 H HETATM 109 HO9 PLX A 1 -0.585 -1.443 -1.439 1.00 20.00 H HETATM 110 H251 PLX A 1 -3.677 -2.474 0.109 1.00 20.00 H HETATM 111 H252 PLX A 1 -2.484 -1.127 0.121 1.00 20.00 H HETATM 112 H261 PLX A 1 -3.310 -0.378 -2.134 1.00 20.00 H HETATM 113 H262 PLX A 1 -4.488 -1.746 -2.156 1.00 20.00 H HETATM 114 H271 PLX A 1 -5.579 -0.838 -0.088 1.00 20.00 H HETATM 115 H272 PLX A 1 -4.398 0.528 -0.064 1.00 20.00 H HETATM 116 H281 PLX A 1 -5.214 1.272 -2.317 1.00 20.00 H HETATM 117 H282 PLX A 1 -6.394 -0.095 -2.341 1.00 20.00 H HETATM 118 H291 PLX A 1 -7.485 0.810 -0.271 1.00 20.00 H HETATM 119 H292 PLX A 1 -6.305 2.177 -0.247 1.00 20.00 H HETATM 120 H301 PLX A 1 -7.122 2.921 -2.500 1.00 20.00 H HETATM 121 H302 PLX A 1 -8.301 1.554 -2.524 1.00 20.00 H HETATM 122 H311 PLX A 1 -9.392 2.459 -0.454 1.00 20.00 H HETATM 123 H312 PLX A 1 -8.213 3.826 -0.430 1.00 20.00 H HETATM 124 H321 PLX A 1 -9.029 4.570 -2.683 1.00 20.00 H HETATM 125 H322 PLX A 1 -10.209 3.202 -2.707 1.00 20.00 H HETATM 126 H331 PLX A 1 -11.300 4.107 -0.636 1.00 20.00 H HETATM 127 H332 PLX A 1 -10.120 5.475 -0.612 1.00 20.00 H HETATM 128 H341 PLX A 1 -10.937 6.219 -2.865 1.00 20.00 H HETATM 129 H342 PLX A 1 -12.116 4.851 -2.889 1.00 20.00 H HETATM 130 H351 PLX A 1 -13.208 5.756 -0.819 1.00 20.00 H HETATM 131 H352 PLX A 1 -12.028 7.123 -0.795 1.00 20.00 H HETATM 132 H361 PLX A 1 -12.845 7.867 -3.048 1.00 20.00 H HETATM 133 H362 PLX A 1 -14.024 6.500 -3.072 1.00 20.00 H HETATM 134 H371 PLX A 1 -15.116 7.405 -1.002 1.00 20.00 H HETATM 135 H372 PLX A 1 -13.936 8.772 -0.978 1.00 20.00 H HETATM 136 H381 PLX A 1 -14.759 9.520 -3.232 1.00 20.00 H HETATM 137 H382 PLX A 1 -15.937 8.154 -3.256 1.00 20.00 H HETATM 138 H391 PLX A 1 -15.859 10.438 -1.178 1.00 20.00 H HETATM 139 H392 PLX A 1 -17.024 10.270 -2.546 1.00 20.00 H HETATM 140 H393 PLX A 1 -17.043 9.066 -1.202 1.00 20.00 H HETATM 141 HO3 PLX A 1 -4.020 -6.080 1.469 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