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{
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"structure_string": "Na4 H48 C16 S8 Br4 O8\n1.0\n10.135163 0.000000 0.000000\n0.000000 6.574106 0.000000\n0.000000 1.128915 16.730311\nNa H C S Br O\n4 48 16 8 4 8\ndirect\n0.429716 0.744870 0.028880 Na\n0.570284 0.255130 0.971120 Na\n0.929716 0.255130 0.471120 Na\n0.070284 0.744870 0.528880 Na\n0.613010 0.755163 0.230993 H\n0.061005 0.279362 0.757737 H\n0.437394 0.804591 0.224291 H\n0.083231 0.364736 0.654646 H\n0.364283 0.662289 0.459644 H\n0.839423 0.660380 0.955261 H\n0.164491 0.134135 0.693240 H\n0.135717 0.662289 0.959644 H\n0.937394 0.195409 0.275709 H\n0.425436 0.190732 0.473255 H\n0.822526 0.307218 0.145822 H\n0.938995 0.720638 0.242263 H\n0.074564 0.190732 0.973255 H\n0.386990 0.244837 0.769007 H\n0.886990 0.755163 0.730993 H\n0.864283 0.337711 0.040356 H\n0.583231 0.635264 0.845354 H\n0.113010 0.244837 0.269007 H\n0.231082 0.105063 0.013387 H\n0.335509 0.134135 0.193240 H\n0.660577 0.660380 0.455261 H\n0.925436 0.809268 0.026745 H\n0.438995 0.279362 0.257737 H\n0.038511 0.081225 0.200417 H\n0.957558 0.472160 0.113138 H\n0.339423 0.339620 0.544739 H\n0.664491 0.865865 0.806760 H\n0.574564 0.809268 0.526745 H\n0.542442 0.472160 0.613138 H\n0.677474 0.307218 0.645822 H\n0.538511 0.918775 0.299583 H\n0.961489 0.918775 0.799583 H\n0.461489 0.081225 0.700417 H\n0.731082 0.894937 0.486613 H\n0.916769 0.635264 0.345354 H\n0.416769 0.364736 0.154646 H\n0.835509 0.865865 0.306760 H\n0.042442 0.527840 0.886862 H\n0.177474 0.692782 0.854178 H\n0.561005 0.720638 0.742263 H\n0.768918 0.894937 0.986613 H\n0.635717 0.337711 0.540356 H\n0.268918 0.105063 0.513387 H\n0.160577 0.339620 0.044739 H\n0.062606 0.804591 0.724291 H\n0.562606 0.195409 0.775709 H\n0.322526 0.692782 0.354178 H\n0.457558 0.527840 0.386862 H\n0.328887 0.239117 0.495298 C\n0.076669 0.230817 0.697059 C\n0.923331 0.769183 0.302941 C\n0.671113 0.760883 0.504702 C\n0.465399 0.132952 0.761328 C\n0.828887 0.760883 0.004702 C\n0.034601 0.132952 0.261328 C\n0.576669 0.769183 0.802941 C\n0.534601 0.867048 0.238672 C\n0.360381 0.588637 0.402669 C\n0.639619 0.411363 0.597331 C\n0.860381 0.411363 0.097331 C\n0.139619 0.588637 0.902669 C\n0.423331 0.230817 0.197059 C\n0.965399 0.867048 0.738672 C\n0.171113 0.239117 0.995298 C\n0.252872 0.378153 0.913492 S\n0.066588 0.913056 0.328784 S\n0.433412 0.913056 0.828784 S\n0.247128 0.378153 0.413492 S\n0.566588 0.086944 0.171216 S\n0.933412 0.086944 0.671216 S\n0.752872 0.621847 0.586508 S\n0.747128 0.621847 0.086508 S\n0.194150 0.719653 0.128898 Br\n0.305850 0.719653 0.628898 Br\n0.805850 0.280347 0.871102 Br\n0.694150 0.280347 0.371102 Br\n0.457556 0.979146 0.913253 O\n0.380255 0.463682 0.946493 O\n0.119745 0.463682 0.446493 O\n0.542444 0.020854 0.086747 O\n0.619745 0.536318 0.053507 O\n0.957556 0.020854 0.586747 O\n0.042444 0.979146 0.413253 O\n0.880255 0.536318 0.553507 O\n",
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"formula_full": "Na4 H48 C16 S8 Br4 O8",
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{
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"formula_full": "Na4 H16 C4 S8 N12 O8",
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{
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{
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