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            "structure_string": "H2 C1\n1.0\n3.021120 0.000000 0.165962\n0.000000 1.786514 0.000000\n0.044851 0.000000 2.611618\nH C\n2 1\ndirect\n-0.257330 0.000000 -0.045690 H\n0.275832 0.000000 0.440816 H\n0.381497 0.000000 0.004875 C\n",
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