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{
"id": "jvasp-103867",
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"structure_string": "Sn1 H24 C13 O4\n1.0\n4.901474 -0.021617 -0.528824\n-0.650597 6.813488 -2.101729\n-0.021207 -0.200466 11.070327\nSn H C O\n1 24 13 4\ndirect\n0.417155 0.594667 0.888376 Sn\n0.968391 0.806127 0.539257 H\n0.309699 0.539322 0.635295 H\n0.173618 0.763429 0.724450 H\n0.475477 0.685977 0.144143 H\n0.121630 0.602999 0.079237 H\n0.884413 0.866861 0.398214 H\n0.999245 0.525169 0.705517 H\n0.524252 0.079229 0.515982 H\n0.874183 0.166936 0.574524 H\n0.875544 0.037167 0.750678 H\n0.538103 0.910204 0.693064 H\n0.367469 0.425476 0.071372 H\n0.006656 0.181766 0.366616 H\n0.705045 0.095811 0.255569 H\n0.419750 0.710681 0.511901 H\n0.439122 0.690946 0.351379 H\n0.014073 0.510577 0.330296 H\n0.147383 0.992034 0.163694 H\n0.711472 0.428721 0.220663 H\n0.086382 0.116550 0.972431 H\n0.826200 0.259332 0.042080 H\n0.764246 0.468211 0.506036 H\n0.464867 0.367793 0.396206 H\n0.258259 0.242292 0.193923 H\n0.560436 0.683184 0.439208 C\n0.648440 0.474773 0.416642 C\n0.822780 0.410623 0.307428 C\n0.930856 0.127066 0.037199 C\n0.073837 0.136387 0.170695 C\n0.895321 0.197606 0.278852 C\n0.725339 0.948423 0.982487 C\n0.715140 0.046132 0.563987 C\n0.799792 0.848429 0.482384 C\n0.547997 0.220890 0.772038 C\n0.197882 0.609066 0.715050 C\n0.334874 0.574125 0.069345 C\n0.673702 0.040921 0.699356 C\n0.709878 0.385333 0.822979 O\n0.814412 0.775604 0.938932 O\n0.469803 0.957884 0.979684 O\n0.295643 0.221102 0.780586 O\n",
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{
"id": "jvasp-104010",
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"structure_string": "Sn2 H24 C12 F4\n1.0\n4.639074 -0.126526 0.019742\n0.765175 6.263458 1.044732\n-0.352551 0.086430 13.710184\nSn H C F\n2 24 12 4\ndirect\n0.260777 0.258116 0.470932 Sn\n0.778902 0.332947 0.976214 Sn\n0.627616 0.372666 0.160161 H\n0.534086 0.613586 0.075866 H\n0.068814 0.680105 0.072760 H\n0.142198 0.459487 0.169428 H\n0.957860 0.169595 0.690500 H\n0.424116 0.333896 0.643024 H\n0.584319 0.079504 0.627605 H\n0.315999 0.749158 0.678535 H\n-0.004561 0.853337 0.609698 H\n0.044310 0.737608 0.837398 H\n0.723750 0.841757 0.768554 H\n0.249362 0.063352 0.773315 H\n0.820502 0.641991 0.279634 H\n0.711709 0.848656 0.178696 H\n0.970969 0.911067 0.374278 H\n0.897659 0.131720 0.277625 H\n0.505715 0.977602 0.371228 H\n0.081921 0.421312 0.756632 H\n0.412183 0.218588 0.286980 H\n0.790429 0.527508 0.673805 H\n0.615732 0.256991 0.804139 H\n0.455422 0.511402 0.819487 H\n0.328195 0.742573 0.268357 H\n0.219411 0.949248 0.167422 H\n0.109663 0.848051 0.681860 C\n0.974814 0.586184 0.136621 C\n0.377865 0.178218 0.626181 C\n0.165878 0.071630 0.696331 C\n0.710514 0.489418 0.102338 C\n0.930093 0.742869 0.765237 C\n0.873897 0.519272 0.750788 C\n0.065027 0.005015 0.310438 C\n0.145727 0.856625 0.236103 C\n0.661908 0.412712 0.820948 C\n0.329273 0.101770 0.344771 C\n0.894176 0.734602 0.210948 C\n0.229720 0.324510 0.974751 F\n0.253515 0.571880 0.444656 F\n0.809973 0.266598 0.472445 F\n0.786138 0.019187 0.002429 F\n",
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{
"id": "jvasp-103871",
"created_at": "2022-09-04T14:36:41.586714Z",
"updated_at": "2022-09-04T14:36:41.586740Z",
"structure_string": "Sn1 H24 C13 O4\n1.0\n5.013811 -0.016018 0.503180\n-0.137122 6.910833 2.115181\n-0.027080 -0.100183 10.061020\nSn H C O\n1 24 13 4\ndirect\n0.972214 0.632058 0.996524 Sn\n0.520759 0.877902 0.396873 H\n0.617558 0.401756 0.181924 H\n0.936723 0.384916 0.250951 H\n0.975444 0.883337 0.744081 H\n0.081907 0.007127 0.862364 H\n0.241795 0.816559 0.522394 H\n0.876425 0.256295 0.127459 H\n0.956095 0.972929 0.313508 H\n0.084783 0.743466 0.323721 H\n0.421283 0.096091 0.152271 H\n0.142881 0.020830 0.083730 H\n0.310356 0.853686 0.795905 H\n0.462490 0.486501 0.409661 H\n0.722492 0.171994 0.444992 H\n0.916779 0.214766 0.679689 H\n-0.007304 0.420351 0.730295 H\n0.707204 0.189136 0.913365 H\n0.316426 0.397529 0.581980 H\n0.455850 0.196720 0.801889 H\n0.904917 0.499786 0.482992 H\n0.536601 0.082619 0.608405 H\n0.112787 0.146124 0.486368 H\n0.310249 0.226392 0.326433 H\n0.683911 0.617270 0.577641 H\n0.616491 0.282755 0.823049 C\n0.306004 0.125258 0.431810 C\n0.831056 0.345810 0.699284 C\n0.735302 0.474557 0.564347 C\n0.498057 0.391866 0.513368 C\n0.530576 0.184442 0.503838 C\n0.492497 0.448269 0.870060 C\n0.143107 0.894887 0.307573 C\n0.313447 0.917708 0.420893 C\n0.448527 0.815384 0.117881 C\n0.831818 0.385859 0.160574 C\n0.101834 0.876809 0.827857 C\n0.289921 0.972487 0.159669 C\n0.701809 0.835042 0.092047 O\n0.638561 0.592473 0.868648 O\n0.242007 0.433616 0.908959 O\n0.320316 0.665285 0.113014 O\n",
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],
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"formula_full": "Sn1 H24 C13 O4",
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{
"id": "jvasp-104128",
"created_at": "2022-09-04T14:36:55.986086Z",
"updated_at": "2022-09-04T14:36:55.986105Z",
"structure_string": "H16 C22 S2 O2\n1.0\n3.763735 -0.207386 0.321278\n0.610152 8.320106 1.999896\n-0.153482 -0.594092 12.786773\nH C S O\n16 22 2 2\ndirect\n0.243291 0.427803 0.860466 H\n0.430872 0.669867 0.236462 H\n0.431039 0.669832 0.736497 H\n0.815516 0.709397 0.087488 H\n0.026889 0.953722 0.464950 H\n0.027091 0.953722 0.964963 H\n0.386522 0.944658 0.124742 H\n0.386686 0.944622 0.624753 H\n0.815389 0.709372 0.587470 H\n0.909510 0.490140 0.210962 H\n0.671946 0.212346 0.808289 H\n0.671363 0.212414 0.308285 H\n0.773479 0.891633 0.696888 H\n0.773308 0.891658 0.196872 H\n0.243212 0.427822 0.360434 H\n0.909907 0.490095 0.710938 H\n0.072770 0.836755 0.444125 C\n0.017568 0.549367 0.984087 C\n0.017489 0.549374 0.484055 C\n0.246331 0.827561 0.844662 C\n0.300505 0.680047 0.813745 C\n0.189576 0.542665 0.884053 C\n0.189470 0.542670 0.384024 C\n0.300349 0.680066 0.313721 C\n0.072938 0.836758 0.944142 C\n0.246171 0.827583 0.344641 C\n0.959003 0.700272 0.511853 C\n0.898645 0.409743 0.060490 C\n0.548916 0.977776 0.685159 C\n0.548751 0.977794 0.185150 C\n0.672937 0.144726 0.654184 C\n0.672787 0.144757 0.154182 C\n0.898652 0.409725 0.560467 C\n0.723401 0.246269 0.722571 C\n0.723039 0.246315 0.222574 C\n0.848596 0.395782 0.669705 C\n0.848326 0.395817 0.169716 C\n0.959137 0.700281 0.011872 C\n0.780237 0.234548 0.023460 S\n0.780091 0.234556 0.523447 S\n0.343984 0.971269 0.785130 O\n0.343817 0.971286 0.285119 O\n",
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{
"id": "jvasp-104008",
"created_at": "2022-09-04T14:36:48.977277Z",
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"structure_string": "Sn2 H24 C12 F4\n1.0\n4.298146 -0.084899 0.184445\n1.841660 4.274635 0.420405\n-0.146680 0.136543 18.727665\nSn H C F\n2 24 12 4\ndirect\n0.064248 0.808992 0.528776 Sn\n0.201100 0.002520 0.024003 Sn\n0.523154 0.121310 0.906698 H\n0.087872 0.348805 0.906793 H\n0.014592 0.822797 0.879524 H\n0.434689 0.705779 0.851147 H\n0.369062 0.268852 0.422814 H\n0.851562 0.782706 0.400139 H\n0.132627 0.980064 0.392689 H\n0.118095 0.400177 0.301513 H\n0.559765 0.225203 0.296343 H\n0.146590 0.926233 0.274500 H\n0.587559 0.753419 0.269095 H\n0.626308 0.477620 0.401930 H\n0.267924 0.203365 0.766889 H\n0.856201 0.312160 0.800570 H\n0.459787 0.554922 0.728833 H\n0.434586 0.864183 0.665329 H\n0.985605 0.493349 0.649036 H\n0.090662 0.639510 0.172349 H\n0.407757 0.355832 0.618471 H\n0.530740 0.473256 0.163846 H\n0.558393 -0.000895 0.137363 H\n0.120581 0.179406 0.153326 H\n0.843523 0.810879 0.754238 H\n0.820245 0.119030 0.690102 H\n0.351608 0.437465 0.310629 C\n0.206195 0.912043 0.858916 C\n0.102240 0.766965 0.415176 C\n0.378583 0.474393 0.390743 C\n0.274263 0.109586 0.912317 C\n0.354889 0.713864 0.260519 C\n0.322765 0.679167 0.180763 C\n0.290052 0.730524 0.689673 C\n0.988366 0.944732 0.729654 C\n0.318758 0.968992 0.135660 C\n0.195673 0.562560 0.632999 C\n0.080226 0.109548 0.787761 C\n0.698578 0.251852 0.026914 F\n0.887517 0.276117 0.532945 F\n0.535030 0.904469 0.530667 F\n0.051485 0.632734 0.022034 F\n",
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},
{
"id": "jvasp-30159",
"created_at": "2022-09-04T14:36:50.405576Z",
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"structure_string": "Mn2 P4 H16 O20\n1.0\n5.273410 0.000000 -0.341566\n0.000000 10.255596 0.000000\n0.132836 0.000000 7.174987\nMn P H O\n2 4 16 20\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.255999 0.716237 0.161253 P\n0.755999 0.783763 0.661253 P\n0.744002 0.283763 0.838746 P\n0.244002 0.216237 0.338747 P\n0.152562 0.106234 0.599202 H\n0.847439 0.893766 0.400798 H\n0.347439 0.606235 0.900799 H\n0.173836 0.450529 0.779606 H\n0.673836 0.049471 0.279606 H\n0.826164 0.549471 0.220394 H\n0.326165 0.950529 0.720394 H\n0.652561 0.393766 0.099201 H\n0.116518 0.274090 0.989663 H\n0.383483 0.774090 0.510338 H\n0.883483 0.725910 0.010337 H\n0.059113 0.576314 0.677099 H\n0.559113 0.923687 0.177099 H\n0.940887 0.423687 0.322900 H\n0.440888 0.076313 0.822901 H\n0.616517 0.225910 0.489662 H\n0.529976 0.172962 0.382964 O\n0.426914 0.643022 0.021672 O\n0.926914 0.856979 0.521672 O\n0.274389 0.034113 0.780458 O\n0.073086 0.143022 0.478327 O\n0.029977 0.327038 0.882964 O\n0.774388 0.465887 0.280457 O\n0.573087 0.356979 0.978327 O\n0.470024 0.827039 0.617036 O\n0.834568 0.831362 0.856730 O\n0.165432 0.168638 0.143270 O\n0.665433 0.331362 0.643270 O\n0.334568 0.668639 0.356730 O\n0.226197 0.363863 0.363335 O\n0.726197 0.136138 0.863335 O\n0.773804 0.636138 0.636665 O\n0.273804 0.863863 0.136665 O\n0.725612 0.965887 0.219541 O\n0.970024 0.672962 0.117036 O\n0.225612 0.534114 0.719542 O\n",
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},
{
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"structure_string": "H14 C22 S2 N2 O2\n1.0\n3.816128 -0.006858 0.305261\n0.562246 9.661233 3.580738\n0.009086 0.033981 11.075707\nH C S N O\n14 22 2 2 2\ndirect\n0.178533 0.227534 0.666049 H\n0.103380 0.832839 0.432324 H\n0.624469 0.082110 0.723569 H\n0.625694 0.582376 0.723478 H\n0.542484 0.186216 0.492372 H\n0.543803 0.686479 0.492279 H\n0.930090 0.644470 0.891256 H\n0.102098 0.332549 0.432397 H\n0.507321 0.370559 0.057361 H\n0.507096 0.870467 0.057354 H\n0.458518 0.274413 0.306746 H\n0.458068 0.774265 0.306733 H\n0.179644 0.727760 0.665980 H\n0.929822 0.144497 0.891260 H\n0.914094 0.899584 0.711494 C\n0.825103 0.519883 0.441816 C\n0.825132 0.019916 0.441822 C\n0.962118 0.358144 0.852213 C\n0.040177 0.828684 0.628344 C\n0.039611 0.328568 0.628377 C\n0.998068 0.388613 0.495745 C\n0.998700 0.888763 0.495711 C\n0.914167 0.399601 0.711487 C\n0.962021 0.858133 0.852220 C\n0.683446 0.085984 0.528402 C\n0.792441 0.593645 0.304189 C\n0.730308 0.028311 0.658759 C\n0.730985 0.528452 0.658708 C\n0.792533 0.093705 0.304196 C\n0.842637 0.189029 0.062627 C\n0.842656 0.688990 0.062624 C\n0.611186 0.220364 0.250321 C\n0.610975 0.720275 0.250311 C\n0.636455 0.273788 0.115201 C\n0.636317 0.773717 0.115192 C\n0.684112 0.586113 0.528352 C\n0.999054 0.539949 0.181802 S\n0.998980 0.039972 0.181805 S\n0.929389 0.221569 0.930042 N\n0.929487 0.721547 0.930042 N\n0.003414 0.450188 0.898188 O\n0.003092 0.950197 0.898195 O\n",
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{
"id": "jvasp-112053",
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