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{
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{
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{
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"structure_string": "H28 C12 N24 Cl4\n1.0\n8.659497 6.238414 0.000000\n-8.659497 6.238414 0.000000\n0.000000 5.743762 6.487965\nH C N Cl\n28 12 24 4\ndirect\n0.159534 0.982122 0.693174 H\n0.982122 0.159534 0.693174 H\n0.657141 0.466168 0.198032 H\n0.466168 0.657141 0.198032 H\n0.994673 0.822457 0.744111 H\n0.822457 0.994673 0.744111 H\n0.445926 0.264519 0.249714 H\n0.264519 0.445926 0.249714 H\n0.176699 0.371736 0.759867 H\n0.371736 0.176699 0.759867 H\n0.445685 0.095481 0.262452 H\n0.095481 0.445685 0.262452 H\n0.614586 0.984135 0.234509 H\n0.984135 0.614586 0.234509 H\n0.015865 0.385414 0.765491 H\n0.385414 0.015865 0.765491 H\n0.904519 0.554315 0.737548 H\n0.554315 0.904519 0.737548 H\n0.823301 0.628264 0.240133 H\n0.628264 0.823301 0.240133 H\n0.735481 0.554074 0.750286 H\n0.554074 0.735481 0.750286 H\n0.005327 0.177543 0.255889 H\n0.177543 0.005327 0.255889 H\n0.533832 0.342859 0.801968 H\n0.342859 0.533832 0.801968 H\n0.017878 0.840466 0.306826 H\n0.840466 0.017878 0.306826 H\n0.172785 0.784990 0.731003 C\n0.784990 0.172785 0.731003 C\n0.627970 0.244959 0.255908 C\n0.244959 0.627970 0.255908 C\n0.170111 0.561053 0.762495 C\n0.561053 0.170111 0.762495 C\n0.438947 0.829889 0.237505 C\n0.829889 0.438947 0.237505 C\n0.755041 0.372030 0.744092 C\n0.372030 0.755041 0.744092 C\n0.827215 0.215010 0.268997 C\n0.215010 0.827215 0.268997 C\n0.692920 0.386243 0.240718 N\n0.386243 0.692920 0.240718 N\n0.107786 0.873274 0.712212 N\n0.873274 0.107786 0.712212 N\n0.692592 0.156472 0.272082 N\n0.156472 0.692592 0.272082 N\n0.099923 0.644675 0.749371 N\n0.644675 0.099923 0.749371 N\n0.498986 0.200643 0.251431 N\n0.200643 0.498986 0.251431 N\n0.111145 0.423742 0.777780 N\n0.423742 0.111145 0.777780 N\n0.576258 0.888855 0.222220 N\n0.888855 0.576258 0.222220 N\n0.799358 0.501014 0.748569 N\n0.501014 0.799357 0.748569 N\n0.355325 0.900077 0.250629 N\n0.900077 0.355325 0.250629 N\n0.843528 0.307408 0.727918 N\n0.307408 0.843528 0.727918 N\n0.126726 0.892214 0.287788 N\n0.892214 0.126726 0.287788 N\n0.613757 0.307080 0.759282 N\n0.307080 0.613757 0.759282 N\n0.254576 0.254576 0.584434 Cl\n0.690348 0.690348 0.967792 Cl\n0.309652 0.309652 0.032208 Cl\n0.745424 0.745424 0.415566 Cl\n",
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{
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{
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