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            "structure_string": "Cd1 H20 C2 S2 N6 O12\n1.0\n7.350891 0.000000 0.000000\n2.964855 6.787971 0.000000\n1.271455 1.146615 11.420085\nCd H C S N O\n1 20 2 2 6 12\ndirect\n0.500000 0.500000 0.500000 Cd\n0.164657 0.657201 0.377945 H\n0.835343 0.342799 0.622055 H\n0.586193 0.779733 0.207113 H\n0.413807 0.220267 0.792887 H\n0.896204 0.743686 0.229990 H\n0.103796 0.256314 0.770010 H\n0.170171 0.126543 0.340442 H\n0.829829 0.873457 0.659558 H\n0.717742 0.721111 0.470303 H\n0.282258 0.278889 0.529697 H\n0.806896 0.600536 0.712772 H\n0.193104 0.399464 0.287228 H\n0.447777 0.153212 0.744964 H\n0.552223 0.846788 0.255036 H\n0.860208 0.575352 0.653520 H\n0.139792 0.424648 0.346480 H\n0.760017 0.505134 0.915665 H\n0.239983 0.494866 0.084335 H\n0.630354 0.152287 0.017101 H\n0.369646 0.847713 0.982899 H\n0.643389 0.632362 0.952974 C\n0.356611 0.367638 0.047026 C\n0.915239 0.077548 0.743517 S\n0.084761 0.922452 0.256483 S\n0.526077 0.257724 0.065039 N\n0.473923 0.742276 0.934961 N\n0.776764 0.267968 0.197895 N\n0.223236 0.732032 0.802105 N\n0.748439 0.571817 0.493661 N\n0.251561 0.428183 0.506339 N\n0.052954 0.938952 0.538830 O\n0.947046 0.061048 0.461170 O\n0.696842 0.382630 0.266227 O\n0.303158 0.617370 0.733773 O\n0.857462 0.120932 0.865819 O\n0.142538 0.879068 0.134181 O\n0.780282 0.933076 0.733886 O\n0.219718 0.066924 0.266114 O\n0.763851 0.257505 0.657946 O\n0.236149 0.742495 0.342054 O\n0.105849 0.181823 0.705757 O\n0.894151 0.818177 0.294243 O\n",
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