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{
"id": "jvasp-112045",
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"structure_string": "Ti1 H22 C12 O4\n1.0\n4.739351 -0.053845 1.072321\n0.348524 7.181407 1.554908\n-0.115067 -0.376335 9.645480\nTi H C O\n1 22 12 4\ndirect\n0.223274 0.286258 0.837093 Ti\n0.909471 0.358577 0.182126 H\n0.667930 0.183535 0.249230 H\n0.011826 0.074166 0.468140 H\n0.506259 0.441210 0.386507 H\n0.565870 0.989907 0.927343 H\n0.525155 0.676399 0.088682 H\n0.348268 0.749096 0.248009 H\n0.064910 0.628913 0.913304 H\n0.807887 0.884063 0.162265 H\n0.984039 0.666233 0.167837 H\n0.266237 0.425764 0.275875 H\n0.010597 0.820765 0.374215 H\n0.117250 0.623013 0.723793 H\n0.679009 0.192369 0.458812 H\n0.260567 0.009651 0.066124 H\n0.764571 0.823803 0.651587 H\n0.443522 -0.042597 0.661159 H\n0.403489 0.737976 0.512314 H\n0.470203 0.948609 0.395827 H\n0.414826 0.636879 0.806511 H\n0.860909 0.605236 0.433719 H\n0.228493 0.926032 0.906638 H\n0.688141 0.327101 0.192797 C\n0.822105 0.745917 0.377193 C\n0.483185 0.460585 0.273692 C\n0.527844 0.662323 0.203836 C\n0.798140 0.741500 0.221315 C\n0.566963 0.838571 0.466464 C\n0.636480 0.319024 0.044970 C\n0.800343 0.102571 0.529646 C\n0.824502 0.211846 0.644588 C\n0.207212 0.580251 0.821450 C\n0.337653 0.022719 0.949891 C\n0.639148 0.923929 0.588254 C\n0.068318 0.223641 0.672194 O\n0.854619 0.275816 0.950939 O\n0.394086 0.342742 0.018584 O\n0.602449 0.291879 0.707312 O\n",
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{
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"created_at": "2022-09-04T14:36:39.340718Z",
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"structure_string": "Ti1 H22 C12 O4\n1.0\n4.773832 0.146807 0.485565\n1.781593 7.101250 2.843916\n-0.108657 -0.275290 9.796747\nTi H C O\n1 22 12 4\ndirect\n0.292340 0.331282 0.132733 Ti\n0.501047 0.668903 0.622107 H\n0.392133 0.964612 0.152150 H\n0.398052 0.000207 0.324515 H\n0.571184 0.617593 -0.004672 H\n0.218144 0.696188 0.069893 H\n0.304957 0.510329 0.720856 H\n0.719111 0.986153 0.214364 H\n0.357977 0.366966 0.528148 H\n0.701691 0.370732 0.576974 H\n0.662167 0.668377 0.356435 H\n0.247276 0.638910 0.905820 H\n0.264038 0.889807 0.719952 H\n0.339795 0.633250 0.306960 H\n0.850721 0.935464 0.890968 H\n0.654010 0.134852 0.755394 H\n0.244833 0.090196 0.884459 H\n0.064068 0.288014 0.743494 H\n0.105336 0.838025 0.438461 H\n0.834856 0.747205 0.741262 H\n0.679362 0.937556 0.586841 H\n0.068123 0.086230 0.580209 H\n0.925743 0.662357 0.514943 H\n0.027124 0.172213 0.838295 C\n0.042854 0.971353 0.678951 C\n0.875547 0.051975 0.794161 C\n0.061974 0.738036 0.541955 C\n0.888772 0.847645 0.640003 C\n0.548200 0.562903 0.365468 C\n0.859061 0.260167 0.947148 C\n0.346752 0.595125 0.610173 C\n0.725903 0.423161 0.295953 C\n0.480474 0.033322 0.212446 C\n0.349664 0.602208 0.011383 C\n0.492309 0.460751 0.525188 C\n-0.000934 0.410163 0.275482 O\n0.000111 0.325443 0.016661 O\n0.595818 0.268051 0.968012 O\n0.607681 0.315883 0.264818 O\n",
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{
"id": "jvasp-112081",
"created_at": "2022-09-04T14:38:43.911680Z",
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"structure_string": "Ti1 H22 C12 O4\n1.0\n4.918283 -0.125004 0.828402\n-0.471792 6.851110 1.955817\n-0.078281 0.012055 10.151205\nTi H C O\n1 22 12 4\ndirect\n0.587903 0.299680 0.119022 Ti\n0.047185 0.794705 0.508540 H\n0.268889 0.188402 0.373527 H\n0.398257 0.979666 0.323398 H\n0.278394 0.544909 0.977175 H\n0.413979 0.390483 0.874290 H\n0.912460 0.607741 0.662953 H\n0.127706 0.098896 0.247647 H\n0.632938 0.460431 0.515607 H\n-0.010741 0.443734 0.483260 H\n0.062711 0.706421 0.270570 H\n0.630083 0.589116 0.890443 H\n0.632188 0.165855 0.749030 H\n0.730050 0.786475 0.306624 H\n0.104041 0.109946 0.736358 H\n0.044317 0.860452 0.746181 H\n0.817527 0.775770 0.987769 H\n0.141388 0.908486 0.972142 H\n0.514656 0.813378 0.488381 H\n0.484922 0.089360 0.560914 H\n0.839878 0.088202 0.516984 H\n0.521164 0.915457 0.814392 H\n0.464385 0.712452 0.669167 H\n0.937776 0.917860 0.943784 C\n0.680545 0.020193 0.739620 C\n0.957930 -0.020586 0.783506 C\n0.613554 0.801616 0.579230 C\n0.659089 0.009800 0.592644 C\n0.848078 0.658603 0.318389 C\n0.795223 0.061020 0.006241 C\n0.867989 0.690270 0.561026 C\n0.737136 0.529613 0.242613 C\n0.313796 0.120642 0.288634 C\n0.460070 0.476787 0.943694 C\n0.831962 0.547647 0.474603 C\n0.879488 0.395280 0.210985 O\n0.928701 0.215293 0.015259 O\n0.538260 0.041377 0.052043 O\n0.502218 0.540394 0.207204 O\n",
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{
"id": "jvasp-112062",
"created_at": "2022-09-04T14:38:43.130181Z",
"updated_at": "2022-09-04T14:38:43.130208Z",
"structure_string": "Ti1 H24 C13 O4\n1.0\n4.892578 0.018107 0.447287\n0.107315 6.342959 1.737824\n0.310317 0.350223 11.456363\nTi H C O\n1 24 13 4\ndirect\n0.943160 0.943092 0.843950 Ti\n0.542461 0.493762 0.170733 H\n0.482956 0.360270 0.064602 H\n0.708789 0.248836 0.503259 H\n0.972553 0.420013 0.106060 H\n0.407679 0.409381 0.509004 H\n0.294183 0.215673 0.326096 H\n0.934638 0.219820 0.345018 H\n0.838552 0.333970 0.864894 H\n0.183621 0.059392 0.135114 H\n0.235961 0.895300 0.281355 H\n0.066033 0.603706 0.769513 H\n0.036887 0.561459 0.208525 H\n0.669371 0.064076 0.211474 H\n0.806114 0.822441 0.194113 H\n0.843076 0.136722 0.010975 H\n0.926684 0.428224 0.632473 H\n0.642818 0.604715 0.628137 H\n0.069103 0.741424 0.476046 H\n0.159545 0.257637 0.927577 H\n0.116650 0.835371 0.637902 H\n0.642994 0.935523 0.434831 H\n0.512024 0.737539 0.383171 H\n0.378848 0.751354 0.739248 H\n0.997639 0.559039 0.397952 H\n0.398577 0.485519 0.105427 C\n0.811130 0.933410 0.249455 C\n0.112368 0.430281 0.172045 C\n0.112701 0.220596 0.276877 C\n0.102138 0.021315 0.232531 C\n0.702432 0.819192 0.383560 C\n0.427445 0.691797 0.002263 C\n0.766665 0.509785 0.576331 C\n0.584349 0.339643 0.557694 C\n0.480953 0.181348 0.677900 C\n0.157597 0.762590 0.733593 C\n0.957252 0.202206 0.919697 C\n0.901205 0.656905 0.455260 C\n0.676507 0.744312 0.958430 O\n0.667114 0.067289 0.741096 O\n0.221198 0.801067 0.964555 O\n0.230395 0.161849 0.712535 O\n",
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{
"id": "jvasp-103890",
"created_at": "2022-09-04T14:36:56.672224Z",
"updated_at": "2022-09-04T14:36:56.672242Z",
"structure_string": "Ti1 H24 C13 O4\n1.0\n4.899813 -0.017654 -0.655557\n-0.682333 6.788775 -2.233653\n-0.121746 -0.207251 10.969320\nTi H C O\n1 24 13 4\ndirect\n0.478775 0.587605 0.883875 Ti\n0.962537 0.813497 0.540670 H\n0.310015 0.527589 0.633115 H\n0.202561 0.762161 0.727608 H\n0.488061 0.673376 0.137283 H\n0.137031 0.613612 0.052039 H\n0.861368 0.864953 0.395308 H\n0.023706 0.532134 0.718339 H\n0.511907 0.082737 0.514981 H\n0.865290 0.172020 0.574357 H\n0.877730 0.034492 0.751893 H\n0.524752 0.930410 0.696290 H\n0.346646 0.417383 0.054171 H\n0.004600 0.187318 0.373110 H\n0.698671 0.091082 0.258071 H\n0.415024 0.713032 0.514892 H\n0.419928 0.682878 0.349732 H\n-0.004274 0.510446 0.329872 H\n0.140777 0.992106 0.167859 H\n0.684127 0.418617 0.219913 H\n0.062884 0.119474 0.973633 H\n0.789093 0.244280 0.042467 H\n0.770848 0.479370 0.513026 H\n0.463240 0.367913 0.402920 H\n0.241050 0.244470 0.197974 H\n0.549220 0.682918 0.440529 C\n0.643853 0.476897 0.421119 C\n0.806966 0.407867 0.308867 C\n0.909153 0.118722 0.036400 C\n0.060593 0.134167 0.173953 C\n0.886033 0.196626 0.282443 C\n0.726135 0.928326 0.974475 C\n0.706608 0.051603 0.563883 C\n0.786996 0.850957 0.482206 C\n0.586405 0.243102 0.781058 C\n0.224167 0.607845 0.720604 C\n0.346165 0.569440 0.052315 C\n0.676241 0.052143 0.702554 C\n0.767581 0.393758 0.846741 O\n0.831130 0.768719 0.914003 O\n0.470497 0.906664 0.979853 O\n0.334702 0.273133 0.783342 O\n",
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{
"id": "jvasp-112027",
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"updated_at": "2022-09-04T14:38:43.589149Z",
"structure_string": "Ti1 H26 C14 O4\n1.0\n4.853996 0.061355 0.212739\n1.765758 7.159087 2.207886\n0.171611 0.213997 10.562369\nTi H C O\n1 26 14 4\ndirect\n0.618159 0.363711 0.181904 Ti\n0.385449 0.601297 0.607585 H\n0.477865 0.514436 0.380746 H\n0.531415 0.264009 0.439260 H\n0.706647 0.261909 0.968304 H\n0.338065 0.390807 0.949753 H\n0.530079 0.714364 0.698627 H\n0.192060 0.410509 0.368669 H\n0.520870 0.988724 0.495593 H\n0.177671 0.953405 0.539371 H\n0.197087 0.793089 0.363003 H\n0.542810 0.831409 0.319555 H\n0.819567 0.240050 0.588948 H\n0.616648 0.514655 0.914380 H\n0.199204 0.389917 0.627262 H\n0.254157 0.052364 0.721395 H\n0.560057 0.039472 0.901002 H\n0.586688 0.798825 0.926702 H\n0.671393 0.879640 0.130331 H\n0.105895 0.104964 0.864818 H\n0.983962 0.948169 0.060200 H\n0.827875 0.900633 0.721209 H\n0.642614 0.285353 0.730953 H\n0.946079 0.718687 0.544694 H\n0.815884 0.586257 0.463770 H\n0.999935 0.455093 0.758058 H\n0.103977 0.774771 0.839892 H\n0.844410 0.855730 0.061285 C\n0.980684 0.429414 0.662106 C\n0.712048 0.901001 0.922029 C\n0.930241 0.904368 0.810446 C\n0.051723 0.079310 0.773378 C\n0.821842 0.612691 0.560232 C\n0.853109 0.259491 0.685541 C\n0.014837 0.654166 0.112887 C\n0.383910 0.892418 0.501676 C\n0.521182 0.698316 0.598911 C\n0.205413 0.080074 0.268921 C\n0.422736 0.393996 0.363345 C\n0.552239 0.389446 0.978095 C\n0.337237 0.885832 0.359914 C\n0.931311 0.132372 0.259441 O\n0.874167 0.523778 0.150752 O\n0.281181 0.617514 0.116778 O\n0.363573 0.184395 0.206992 O\n",
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"formula_full": "Ti1 H26 C14 O4",
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},
{
"id": "jvasp-112046",
"created_at": "2022-09-04T14:38:43.441912Z",
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"structure_string": "Ti1 H2 C2 O6\n1.0\n4.411506 0.047577 1.967591\n1.334529 4.668161 2.811450\n0.137724 0.131865 5.606368\nTi H C O\n1 2 2 6\ndirect\n0.476893 0.238163 0.013433 Ti\n0.002412 0.672661 0.039018 H\n0.948981 0.212086 0.577420 H\n0.565502 0.791207 0.554846 C\n0.388020 0.696898 0.460514 C\n0.093047 0.465755 0.153744 O\n0.859813 0.097956 0.785066 O\n0.627687 0.036163 0.372395 O\n0.631193 0.624095 0.793618 O\n0.325995 0.879238 0.215494 O\n0.322265 0.458171 0.627628 O\n",
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{
"id": "jvasp-103886",
"created_at": "2022-09-04T14:36:56.410173Z",
"updated_at": "2022-09-04T14:36:56.410193Z",
"structure_string": "Ti1 H6 C4 O4\n1.0\n4.932412 0.094216 -1.962445\n-1.130246 4.716674 -2.607193\n0.127970 0.210108 6.133743\nTi H C O\n1 6 4 4\ndirect\n0.522916 0.007834 0.251904 Ti\n0.873149 0.175562 0.728960 H\n-0.011366 0.874432 0.540331 H\n0.043751 0.187881 0.524713 H\n0.057335 0.585720 0.963244 H\n0.002120 0.914733 0.978942 H\n0.172805 0.698670 0.774700 H\n0.905878 0.056930 0.544820 C\n0.140047 0.763866 0.958812 C\n0.464551 0.548865 0.358202 C\n0.581284 0.442715 0.145589 C\n0.419538 0.370620 0.430948 O\n0.421443 0.790669 0.440573 O\n0.626311 0.191843 0.072866 O\n0.624380 0.602253 0.063202 O\n",
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{
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"structure_string": "Ti1 H8 C5 O4\n1.0\n4.503296 0.150732 0.421744\n0.240391 5.762707 2.347312\n0.208634 0.195833 6.411518\nTi H C O\n1 8 5 4\ndirect\n0.606594 0.104352 0.080555 Ti\n0.080180 0.001746 0.803152 H\n0.885512 0.745483 0.991592 H\n0.565592 0.472396 0.195793 H\n0.711083 0.965222 0.752243 H\n0.872406 0.285580 0.343269 H\n0.453816 0.530926 0.550557 H\n0.336084 0.731692 0.668738 H\n0.495200 0.198371 0.434897 H\n0.653225 0.290570 0.285265 C\n0.862514 0.934583 0.885121 C\n0.083477 0.432003 0.796423 C\n0.119721 0.781562 0.379060 C\n0.249674 0.618085 0.598502 C\n0.324839 0.856682 0.209918 O\n0.811425 0.398653 0.806046 O\n0.242991 0.302353 0.959931 O\n0.849406 0.846647 0.361134 O\n",
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