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"structure_string": "C1 N1 O2\n1.0\n3.358235 0.000000 0.000000\n0.000000 3.358235 0.000000\n0.000000 0.000000 5.828083\nC N O\n1 1 2\ndirect\n0.500000 0.500000 0.663616 C\n0.000000 0.000000 0.137936 N\n0.000000 0.000000 0.344114 O\n0.500000 0.500000 0.864334 O\n",
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