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            "structure_string": "Ca2 H32 C8 N16 Cl4 O8\n1.0\n13.621809 0.000000 0.000000\n0.000000 9.142596 0.000000\n0.000000 3.668126 8.416073\nCa H C N Cl O\n2 32 8 16 4 8\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.498446 0.471403 0.480206 H\n0.998446 0.528597 0.019794 H\n0.501554 0.528597 0.519794 H\n0.001554 0.471403 0.980206 H\n0.277611 0.927415 0.497396 H\n0.777611 0.072585 0.002604 H\n0.722389 0.072585 0.502604 H\n0.222389 0.927415 0.997396 H\n0.384233 0.232001 0.624446 H\n0.884233 0.767999 0.875554 H\n0.615767 0.767999 0.375554 H\n0.115767 0.232001 0.124446 H\n0.431260 0.642230 0.040819 H\n0.931260 0.357770 0.459181 H\n0.568740 0.357770 0.959181 H\n0.068740 0.642230 0.540819 H\n0.286945 0.479779 0.140880 H\n0.786945 0.520221 0.359120 H\n0.713055 0.520221 0.859120 H\n0.213055 0.479779 0.640880 H\n0.149280 0.013005 0.752221 H\n0.649280 0.986995 0.747779 H\n0.850720 0.986995 0.247779 H\n0.350720 0.013005 0.252221 H\n0.216893 0.457330 0.989653 H\n0.716893 0.542670 0.510347 H\n0.783107 0.542670 0.010347 H\n0.283107 0.457330 0.489653 H\n0.344443 0.130777 0.065566 H\n0.844443 0.869223 0.434434 H\n0.655557 0.869223 0.934434 H\n0.155557 0.130777 0.565566 H\n0.343979 0.109869 0.497881 C\n0.843979 0.890131 0.002119 C\n0.656021 0.890131 0.502119 C\n0.156021 0.109869 0.997881 C\n0.378542 0.721932 0.952076 C\n0.878542 0.278068 0.547924 C\n0.621458 0.278068 0.047924 C\n0.121458 0.721932 0.452076 C\n0.663546 0.998878 0.548730 N\n0.163546 0.001122 0.951270 N\n0.336454 0.001122 0.451270 N\n0.836454 0.998878 0.048730 N\n0.352251 0.231793 0.521730 N\n0.852251 0.768207 0.978270 N\n0.647749 0.768207 0.478270 N\n0.147749 0.231793 0.021730 N\n0.268805 0.519277 0.022544 N\n0.768805 0.480723 0.477456 N\n0.731195 0.480723 0.977456 N\n0.231195 0.519277 0.522544 N\n0.297204 0.657724 0.914500 N\n0.797204 0.342276 0.585500 N\n0.702796 0.342276 0.085500 N\n0.202796 0.657724 0.414500 N\n0.411605 0.289481 0.828941 Cl\n0.911605 0.710519 0.671059 Cl\n0.588395 0.710519 0.171059 Cl\n0.088395 0.289481 0.328941 Cl\n0.358127 0.020312 0.141366 O\n0.858127 0.979688 0.358634 O\n0.641873 0.979688 0.858634 O\n0.141873 0.020312 0.641366 O\n0.398778 0.867510 0.884473 O\n0.898778 0.132490 0.615527 O\n0.601222 0.132490 0.115527 O\n0.101222 0.867510 0.384473 O\n",
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