REMARK 1 CREATED WITH OPENMM 8.2, 2024-12-31 CRYST1 10.000 10.000 10.000 90.00 90.00 90.00 P 1 1 HETATM 1 O HOH A 1 0.000 0.000 0.000 1.00 0.00 O HETATM 2 H1 HOH A 1 0.757 0.586 0.000 1.00 0.00 H HETATM 3 H2 HOH A 1 -0.757 0.586 0.000 1.00 0.00 H TER 4 HOH A 1 HETATM 5 O HOH B 1 0.883 2.266 3.701 1.00 0.00 O HETATM 6 H1 HOH B 1 0.418 1.469 3.448 1.00 0.00 H HETATM 7 H2 HOH B 1 0.907 2.793 2.902 1.00 0.00 H HETATM 8 O HOH B 2 -3.407 3.165 0.138 1.00 0.00 O HETATM 9 H1 HOH B 2 -3.083 2.377 -0.297 1.00 0.00 H HETATM 10 H2 HOH B 2 -2.621 3.591 0.481 1.00 0.00 H HETATM 11 O HOH B 3 3.358 1.681 -1.498 1.00 0.00 O HETATM 12 H1 HOH B 3 4.022 2.203 -1.948 1.00 0.00 H HETATM 13 H2 HOH B 3 2.992 2.274 -0.841 1.00 0.00 H HETATM 14 O HOH B 4 1.011 -3.823 -0.537 1.00 0.00 O HETATM 15 H1 HOH B 4 1.860 -4.232 -0.706 1.00 0.00 H HETATM 16 H2 HOH B 4 1.165 -2.888 -0.669 1.00 0.00 H HETATM 17 O HOH B 5 -0.506 -0.388 3.611 1.00 0.00 O HETATM 18 H1 HOH B 5 -1.177 -1.026 3.851 1.00 0.00 H HETATM 19 H2 HOH B 5 -0.244 -0.636 2.725 1.00 0.00 H HETATM 20 O HOH B 6 4.977 -3.082 4.166 1.00 0.00 O HETATM 21 H1 HOH B 6 5.890 -2.919 3.929 1.00 0.00 H HETATM 22 H2 HOH B 6 5.020 -3.448 5.049 1.00 0.00 H HETATM 23 O HOH B 7 3.506 -0.565 3.612 1.00 0.00 O HETATM 24 H1 HOH B 7 3.867 -0.249 2.784 1.00 0.00 H HETATM 25 H2 HOH B 7 3.985 -1.375 3.789 1.00 0.00 H HETATM 26 O HOH B 8 -0.824 3.337 1.558 1.00 0.00 O HETATM 27 H1 HOH B 8 -1.396 3.628 2.268 1.00 0.00 H HETATM 28 H2 HOH B 8 -0.673 4.123 1.033 1.00 0.00 H HETATM 29 O HOH B 9 -2.526 -2.434 4.486 1.00 0.00 O HETATM 30 H1 HOH B 9 -3.075 -1.696 4.219 1.00 0.00 H HETATM 31 H2 HOH B 9 -3.114 -3.189 4.467 1.00 0.00 H HETATM 32 O HOH B 10 -0.564 -4.733 4.152 1.00 0.00 O HETATM 33 H1 HOH B 10 -0.042 -4.374 4.869 1.00 0.00 H HETATM 34 H2 HOH B 10 -1.288 -4.115 4.049 1.00 0.00 H HETATM 35 O HOH B 11 1.436 4.538 4.668 1.00 0.00 O HETATM 36 H1 HOH B 11 0.658 5.093 4.611 1.00 0.00 H HETATM 37 H2 HOH B 11 1.197 3.740 4.196 1.00 0.00 H HETATM 38 O HOH B 12 2.828 5.002 -3.098 1.00 0.00 O HETATM 39 H1 HOH B 12 3.703 4.692 -2.866 1.00 0.00 H HETATM 40 H2 HOH B 12 2.374 5.091 -2.260 1.00 0.00 H HETATM 41 O HOH B 13 2.215 3.303 0.386 1.00 0.00 O HETATM 42 H1 HOH B 13 1.646 4.055 0.551 1.00 0.00 H HETATM 43 H2 HOH B 13 2.973 3.446 0.952 1.00 0.00 H HETATM 44 O HOH B 14 4.171 0.735 0.748 1.00 0.00 O HETATM 45 H1 HOH B 14 3.855 0.968 -0.125 1.00 0.00 H HETATM 46 H2 HOH B 14 4.423 -0.185 0.675 1.00 0.00 H HETATM 47 O HOH B 15 -1.822 -4.120 -0.426 1.00 0.00 O HETATM 48 H1 HOH B 15 -0.867 -4.053 -0.432 1.00 0.00 H HETATM 49 H2 HOH B 15 -2.118 -3.295 -0.042 1.00 0.00 H HETATM 50 O HOH B 16 3.362 -0.525 -3.140 1.00 0.00 O HETATM 51 H1 HOH B 16 3.453 0.118 -2.437 1.00 0.00 H HETATM 52 H2 HOH B 16 2.541 -0.979 -2.946 1.00 0.00 H HETATM 53 O HOH B 17 -1.555 1.478 -3.095 1.00 0.00 O HETATM 54 H1 HOH B 17 -0.993 2.145 -3.490 1.00 0.00 H HETATM 55 H2 HOH B 17 -1.020 1.096 -2.399 1.00 0.00 H HETATM 56 O HOH B 18 -4.859 -1.144 0.837 1.00 0.00 O HETATM 57 H1 HOH B 18 -5.004 -2.058 0.595 1.00 0.00 H HETATM 58 H2 HOH B 18 -4.923 -1.136 1.792 1.00 0.00 H HETATM 59 O HOH B 19 4.090 -3.527 -3.825 1.00 0.00 O HETATM 60 H1 HOH B 19 3.406 -4.197 -3.849 1.00 0.00 H HETATM 61 H2 HOH B 19 3.677 -2.749 -4.198 1.00 0.00 H HETATM 62 O HOH B 20 -4.437 -1.266 -2.894 1.00 0.00 O HETATM 63 H1 HOH B 20 -4.092 -0.761 -3.630 1.00 0.00 H HETATM 64 H2 HOH B 20 -5.376 -1.333 -3.068 1.00 0.00 H HETATM 65 O HOH B 21 -4.965 1.632 2.289 1.00 0.00 O HETATM 66 H1 HOH B 21 -5.543 1.191 1.665 1.00 0.00 H HETATM 67 H2 HOH B 21 -4.287 2.034 1.745 1.00 0.00 H HETATM 68 O HOH B 22 -2.359 4.224 3.634 1.00 0.00 O HETATM 69 H1 HOH B 22 -1.936 4.426 4.469 1.00 0.00 H HETATM 70 H2 HOH B 22 -3.225 4.625 3.701 1.00 0.00 H HETATM 71 O HOH B 23 2.927 -3.774 2.061 1.00 0.00 O HETATM 72 H1 HOH B 23 3.390 -3.299 2.751 1.00 0.00 H HETATM 73 H2 HOH B 23 2.616 -3.091 1.467 1.00 0.00 H HETATM 74 O HOH B 24 -0.357 3.503 -4.639 1.00 0.00 O HETATM 75 H1 HOH B 24 -0.446 4.439 -4.460 1.00 0.00 H HETATM 76 H2 HOH B 24 0.584 3.337 -4.584 1.00 0.00 H HETATM 77 O HOH B 25 -4.867 -4.424 1.144 1.00 0.00 O HETATM 78 H1 HOH B 25 -4.862 -4.496 0.189 1.00 0.00 H HETATM 79 H2 HOH B 25 -4.322 -5.152 1.442 1.00 0.00 H HETATM 80 O HOH B 26 -1.200 -2.063 -3.464 1.00 0.00 O HETATM 81 H1 HOH B 26 -1.837 -1.605 -4.013 1.00 0.00 H HETATM 82 H2 HOH B 26 -1.727 -2.649 -2.922 1.00 0.00 H HETATM 83 O HOH B 27 -4.127 1.514 -4.095 1.00 0.00 O HETATM 84 H1 HOH B 27 -3.798 1.968 -4.871 1.00 0.00 H HETATM 85 H2 HOH B 27 -3.383 1.495 -3.494 1.00 0.00 H TER 86 HOH B 27 END