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{
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{
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"structure_string": "Al1 H16 C10 Cl1 O4\n1.0\n5.032582 -0.030513 0.212828\n0.800615 6.453481 1.987840\n0.146263 -0.043028 9.148401\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.002348 0.682355 0.914988 Al\n0.771364 0.365385 0.380037 H\n0.486947 0.597098 0.490371 H\n0.649524 0.410852 0.644520 H\n0.226415 0.222171 0.697692 H\n0.075821 0.416045 0.544958 H\n0.731122 0.809320 0.248900 H\n0.448187 0.946493 0.310883 H\n0.440462 0.317646 0.366156 H\n0.866636 0.787577 0.490466 H\n0.810886 0.056488 0.621977 H\n0.497728 0.995354 0.580378 H\n0.361676 0.090729 0.017187 H\n0.579631 0.273539 0.908113 H\n0.612686 0.283573 0.163360 H\n0.914072 0.151747 0.117517 H\n0.013567 0.008431 0.383307 H\n0.569787 0.125321 0.996165 C\n0.699679 0.138678 0.141957 C\n0.675879 0.070418 0.527794 C\n0.819145 0.949415 0.421966 C\n0.663395 0.952086 0.280916 C\n0.502584 0.432647 0.555427 C\n0.598324 0.300635 0.448229 C\n0.135634 0.510006 0.738713 C\n0.728697 0.961171 0.940695 C\n0.230746 0.385546 0.631800 C\n0.145444 0.530825 0.139300 Cl\n0.251673 0.663395 0.752094 O\n0.980462 0.968756 0.901166 O\n0.639517 0.791201 0.940744 O\n0.929669 0.469955 0.828617 O\n",
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{
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"structure_string": "H10 C16 N2 O4\n1.0\n4.012079 0.069107 0.197043\n1.677582 6.920680 1.567909\n0.395676 0.012248 11.201258\nH C N O\n10 16 2 4\ndirect\n0.190618 0.777453 0.043898 H\n0.620755 0.794175 0.308134 H\n0.337263 0.786959 0.688861 H\n0.130190 0.141051 0.643138 H\n0.691001 0.277217 0.544009 H\n0.387350 0.149949 0.259114 H\n0.888095 0.650218 0.759212 H\n0.836120 0.287102 0.188854 H\n0.629151 0.641179 0.143146 H\n0.121395 0.294440 0.808232 H\n0.221516 0.169644 0.445707 C\n0.505787 0.553947 0.539572 C\n0.478915 0.765812 0.501221 C\n0.351259 0.867428 0.594940 C\n0.509199 0.869592 0.381155 C\n0.378576 0.071364 0.353842 C\n0.227219 0.066495 0.568250 C\n0.025664 0.379376 0.416824 C\n0.850529 0.367591 0.094956 C\n0.978646 0.266011 0.001254 C\n0.009464 0.369828 0.881230 C\n0.878897 0.571604 0.853918 C\n0.726542 0.566661 0.068269 C\n0.721341 0.669852 0.945744 C\n0.525515 0.879588 0.916822 C\n0.005506 0.054145 0.039543 C\n0.237058 0.905618 0.995487 N\n0.737330 0.405383 0.495548 N\n0.102311 0.506722 0.335407 O\n0.602283 0.006911 0.835415 O\n0.799404 0.999541 0.119933 O\n0.299722 0.499402 0.619996 O\n",
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{
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"structure_string": "H12 C12 O8\n1.0\n5.448128 0.000000 -0.449828\n0.000000 7.098110 0.000000\n-0.140178 0.000000 7.423890\nH C O\n12 12 8\ndirect\n0.781278 0.515565 0.586514 H\n0.292292 0.695732 0.145216 H\n0.707708 0.195732 0.854783 H\n0.156892 0.688246 0.353416 H\n0.003196 0.807520 0.163280 H\n0.996804 0.307520 0.836720 H\n0.843109 0.188246 0.646583 H\n0.225312 0.005259 0.829051 H\n-0.002024 0.368525 0.330159 H\n0.002024 0.868525 0.669841 H\n0.218722 0.015565 0.413485 H\n0.774689 0.505259 0.170949 H\n0.306917 0.957969 0.298542 C\n0.183154 0.774905 0.235011 C\n0.816846 0.274905 0.764989 C\n0.821520 0.378787 0.248699 C\n0.178480 0.878787 0.751300 C\n0.693083 0.457969 0.701458 C\n0.663299 0.235460 0.242280 C\n0.425488 0.432432 0.633770 C\n0.336701 0.735460 0.757720 C\n0.421049 0.239524 0.133556 C\n0.578952 0.739524 0.866444 C\n0.574512 0.932432 0.366230 C\n0.349824 0.295162 0.546255 O\n0.263284 0.571476 0.662019 O\n0.736716 0.071476 0.337981 O\n0.736576 0.597021 0.847063 O\n0.263424 0.097021 0.152936 O\n0.638129 0.864714 0.976250 O\n0.361871 0.364714 0.023750 O\n0.650176 0.795162 0.453745 O\n",
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{
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"structure_string": "Mg2 H12 C10 O8\n1.0\n5.223604 -0.027812 -0.473199\n-0.852255 6.163752 -0.015809\n0.142907 0.131275 8.399145\nMg H C O\n2 12 10 8\ndirect\n0.215720 0.250278 0.744693 Mg\n0.808943 0.802595 0.770821 Mg\n0.957303 0.745790 0.197960 H\n0.461739 0.239748 0.237600 H\n0.175739 -0.028560 0.272810 H\n0.685094 0.469502 0.297398 H\n0.994649 0.216011 0.413226 H\n0.447449 0.722756 0.422124 H\n0.762845 0.995112 0.362175 H\n0.317082 0.593275 0.078680 H\n0.797413 0.105909 0.077366 H\n0.541145 0.808190 0.154967 H\n0.015845 0.340039 0.129844 H\n0.246942 0.497065 0.345916 H\n0.668366 0.298313 0.261810 C\n0.338076 0.766959 0.108953 C\n0.809534 0.277952 0.110089 C\n0.159483 0.799698 0.239942 C\n0.244104 0.665716 0.383399 C\n0.103084 0.647474 0.535344 C\n0.317064 0.875332 0.947936 C\n0.695145 0.392556 0.967876 C\n0.675451 0.165923 0.557160 C\n0.784869 0.167847 0.395624 C\n0.834323 0.136635 0.678340 O\n0.438767 0.175830 0.568616 O\n0.897722 0.733442 0.547693 O\n0.844967 0.530744 0.893773 O\n0.501535 0.873568 0.861469 O\n0.454324 0.344111 0.931925 O\n0.117148 0.963852 0.897725 O\n0.204005 0.543270 0.648279 O\n",
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{
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