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{
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{
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{
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"structure_string": "C4 S16 N8 O12 F12\n1.0\n10.983381 0.000000 0.000000\n0.000000 8.727298 0.000000\n0.000000 8.668783 8.822710\nC S N O F\n4 16 8 12 12\ndirect\n0.986298 0.790818 0.770628 C\n0.486298 0.209182 0.729372 C\n0.513702 0.790818 0.270628 C\n0.013702 0.209182 0.229372 C\n0.634171 0.068865 0.771010 S\n0.098057 0.613963 0.549212 S\n0.401943 0.613963 0.049212 S\n0.574987 0.435597 0.161150 S\n0.128513 0.214969 0.842614 S\n0.871487 0.785031 0.157386 S\n0.365829 0.931135 0.228990 S\n0.628513 0.785031 0.657386 S\n0.598057 0.386037 0.950788 S\n0.901943 0.386037 0.450788 S\n0.134171 0.931135 0.728990 S\n0.865829 0.068865 0.271010 S\n0.925013 0.435597 0.661150 S\n0.425013 0.564403 0.838850 S\n0.074987 0.564403 0.338850 S\n0.371487 0.214969 0.342614 S\n0.514251 0.231203 0.320055 N\n0.014251 0.768797 0.179945 N\n0.683196 0.565593 0.807788 N\n0.316804 0.434407 0.192212 N\n0.985749 0.231203 0.820055 N\n0.485749 0.768797 0.679945 N\n0.183196 0.434407 0.692212 N\n0.816804 0.565593 0.307788 N\n0.173272 0.843728 0.876092 O\n0.596797 0.841081 0.877489 O\n0.403203 0.158919 0.122511 O\n0.209354 0.876670 0.663177 O\n0.326728 0.843728 0.376092 O\n0.673272 0.156272 0.623908 O\n0.790646 0.123330 0.336823 O\n0.096797 0.158919 0.622511 O\n0.709354 0.123330 0.836823 O\n0.826728 0.156272 0.123908 O\n0.903203 0.841081 0.377489 O\n0.290646 0.876670 0.163177 O\n0.571094 0.878433 0.140391 F\n0.505810 0.419866 0.647401 F\n0.494190 0.580134 0.352599 F\n0.428906 0.121567 0.859609 F\n0.994190 0.419866 0.147401 F\n0.005810 0.580134 0.852599 F\n0.910111 0.805355 0.849404 F\n0.589889 0.805355 0.349404 F\n0.071094 0.121567 0.359609 F\n0.928906 0.878433 0.640391 F\n0.089889 0.194645 0.150596 F\n0.410111 0.194645 0.650596 F\n",
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{
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