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{
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{
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{
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{
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"structure_string": "Co2 H16 C4 O20\n1.0\n6.031327 0.000000 0.000000\n0.000000 6.458808 0.000000\n0.000000 4.965022 10.909655\nCo H C O\n2 16 4 20\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.683747 0.284813 0.930587 H\n0.690272 0.788455 0.982728 H\n0.911178 0.421991 0.884685 H\n0.852613 0.829270 0.860181 H\n0.411178 0.578009 0.615315 H\n0.352613 0.170730 0.639819 H\n0.183747 0.715187 0.569413 H\n0.190272 0.211545 0.517272 H\n0.809728 0.788455 0.482728 H\n0.816253 0.284813 0.430587 H\n0.647387 0.829270 0.360181 H\n0.588822 0.421991 0.384685 H\n0.147387 0.170730 0.139819 H\n0.088822 0.578009 0.115315 H\n0.309728 0.211545 0.017272 H\n0.316253 0.715187 0.069413 H\n0.344148 0.253775 0.825395 C\n0.844148 0.746225 0.674605 C\n0.155852 0.253775 0.325395 C\n0.655852 0.746225 0.174605 C\n0.847472 0.283596 0.953700 O\n0.429372 0.326586 0.900738 O\n0.789549 0.904578 0.913448 O\n0.175402 0.110419 0.857121 O\n0.915963 0.688594 0.783569 O\n0.415963 0.311406 0.716431 O\n0.675402 0.889581 0.642879 O\n0.929372 0.673414 0.599262 O\n0.347472 0.716404 0.546300 O\n0.289549 0.095422 0.586552 O\n0.710451 0.904578 0.413448 O\n0.652528 0.283596 0.453700 O\n0.070628 0.326586 0.400738 O\n0.324598 0.110419 0.357121 O\n0.584037 0.688594 0.283569 O\n0.084037 0.311406 0.216431 O\n0.824598 0.889581 0.142879 O\n0.210451 0.095422 0.086552 O\n0.570628 0.673414 0.099262 O\n0.152528 0.716404 0.046300 O\n",
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{
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{
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"structure_string": "Co2 H16 Br4 O8\n1.0\n7.595818 0.000000 0.000000\n0.000000 6.122387 0.000000\n0.000000 2.998740 8.116146\nCo H Br O\n2 16 4 8\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.701690 0.631179 0.496638 H\n0.201690 0.368821 0.003362 H\n0.298310 0.368821 0.503362 H\n0.798310 0.631179 0.996638 H\n0.682284 0.616527 0.679456 H\n0.182284 0.383473 0.820544 H\n0.317716 0.383473 0.320544 H\n0.817716 0.616527 0.179456 H\n0.571014 0.109312 0.167237 H\n0.071014 0.890688 0.332763 H\n0.428986 0.890688 0.832763 H\n0.928986 0.109312 0.667237 H\n0.431356 0.904000 0.214900 H\n0.931356 0.096000 0.285100 H\n0.068644 0.904000 0.714900 H\n0.568644 0.096000 0.785100 H\n0.230101 0.698714 0.575807 Br\n0.730101 0.301286 0.924193 Br\n0.269899 0.698714 0.075807 Br\n0.769899 0.301286 0.424193 Br\n0.683806 0.728460 0.565430 O\n0.183806 0.271540 0.934570 O\n0.316194 0.271540 0.434570 O\n0.816194 0.728460 0.065430 O\n0.497975 0.008353 0.258598 O\n0.997975 0.991647 0.241402 O\n0.502025 0.991647 0.741402 O\n0.002025 0.008353 0.758598 O\n",
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{
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{
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}