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14.71335
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|XX|YY|ZZ|XY|XZ|YZ| 4.0170 0.2579 -4.2749 -0.5286 -4.6026 1.3399
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MUNgauss RevisionA2.1 retrievium 13-Jun-2022 GDB_13 Smiles: CC1(CCC2C(CCN)C12)C=C RHF 6-31G(d) (6D,10F) C1 165.151750 |X|Y|Z| 20.349528 43.922819 16.600299
24.572734 6 6 6
|36.858105| |12.448912|36.858105| |7.429893|12.232027|36.858105| |5.029597|7.647733|12.332729|36.858105| |5.094356|7.677952|7.761298|12.503182|36.858105| |5.646576|7.103244|6.373854|7.293973|12.680755|36.858105| |5.339452|5.686976|5.802987|5.971024|7.074891|12.553235|36.858105| |3.744703|4.012894|4.305739|4.854311|5.515906|7.567620|12.470581|36.858105| |3.323557|3.359836|3.656697|3.848312|4.006273|5.016689|7.777555|13.086967|53.358707| |7.439373|12.413945|7.817518|7.776227|12.673368|12.645217|6.967629|4.802281|5.033056|36.858105| |7.522361|12.536828|7.643524|5.913561|5.824440|4.916622|3.972214|3.108525|3.633208|7.799972|36.858105| |6.483783|7.458600|5.289880|4.220728|4.182511|3.805368|3.251846|2.620123|3.158749|5.368681|14.440621|36.858105| |17.545043|8.762808|6.722098|4.447342|4.190045|4.382183|4.321732|3.234781|4.057815|5.438112|6.795888|6.558687|0.500000| |17.553902|8.765327|5.424385|4.159971|4.494631|5.084941|4.632202|3.382682|4.093340|6.729467|6.812694|6.592562|0.301234|0.500000| |17.587926|8.806263|6.809311|4.882897|4.990223|6.123167|6.634859|4.368921|5.366719|6.780544|5.489817|4.749171|0.301878|0.302167|0.500000| |6.177798|8.678030|17.567373|8.690134|5.709620|4.703641|4.386500|3.504497|4.224239|5.718117|7.461679|5.504036|0.176688|0.131528|0.151074|0.500000| |7.340943|8.739575|17.605526|8.743083|6.289766|6.076382|6.565645|4.748708|5.721970|6.376909|5.634017|4.374058|0.190099|0.145088|0.216858|0.305378|0.500000| |4.258080|6.265079|8.753552|17.540602|8.924296|5.443620|4.482301|3.885136|4.350921|6.184058|5.823402|4.216849|0.108841|0.101584|0.110836|0.223504|0.175959|0.500000| |4.252175|5.629402|8.685455|17.540400|8.693406|6.367225|6.044206|5.409309|5.906512|5.785923|4.470800|3.445443|0.107315|0.098899|0.121025|0.191021|0.222942|0.303778|0.500000| |4.051432|5.627111|5.589815|8.535484|17.688359|8.578826|5.433163|4.801966|4.836942|8.433743|4.932726|3.726214|0.095823|0.104116|0.109370|0.127176|0.130384|0.217773|0.190450|0.500000| |4.579269|5.372003|4.725502|5.422362|8.857607|17.632806|8.860151|6.974543|6.349988|8.919314|4.167514|3.381611|0.101769|0.122895|0.135671|0.104336|0.125585|0.123708|0.136999|0.219269|0.500000| |5.820260|6.114161|7.109079|6.621915|6.520556|8.739920|17.647389|8.973204|9.856257|6.356269|4.142166|3.376081|0.135523|0.130609|0.207569|0.144992|0.260408|0.133634|0.193937|0.136409|0.172605|0.500000| |5.481806|5.171297|4.845508|4.623658|5.407520|8.920622|17.489243|8.885351|9.666177|6.060246|3.704208|3.155001|0.121948|0.138256|0.202057|0.106554|0.152387|0.102272|0.126467|0.122256|0.211642|0.304502|0.500000| |3.388337|3.620524|3.683453|4.179604|5.073130|7.018976|8.842971|17.434074|12.138991|4.517043|2.902215|2.477674|0.081044|0.088236|0.107046|0.085063|0.108108|0.096795|0.123674|0.130708|0.213721|0.174725|0.211129|0.500000| |3.478107|3.912274|4.446994|5.473391|5.920660|6.895083|8.881429|17.556922|12.553158|4.631214|3.102768|2.584671|0.085060|0.086420|0.108423|0.101492|0.132953|0.121782|0.183799|0.147064|0.172225|0.215158|0.174213|0.302958|0.500000| |3.304288|3.211178|3.352134|3.402367|3.615171|4.648514|7.032350|9.353206|25.865827|3.517269|2.564102|2.265840|0.082166|0.084688|0.110580|0.079714|0.106494|0.079595|0.102396|0.089511|0.123713|0.176017|0.209767|0.218797|0.181946|0.500000| |2.841580|2.907130|3.171383|3.415758|3.532533|4.192604|5.720871|9.343305|25.884492|3.198055|2.385212|2.092632|0.071887|0.072386|0.090864|0.076607|0.098695|0.081161|0.108004|0.090192|0.112160|0.149523|0.146092|0.215735|0.226501|0.328925|0.500000| |6.258233|8.572379|5.599111|5.632084|8.466266|8.658843|5.380951|4.050079|4.364242|17.684763|7.271188|5.454468|0.132157|0.180662|0.154059|0.126664|0.131815|0.138477|0.123871|0.202763|0.224966|0.133384|0.140676|0.111567|0.107644|0.086573|0.078682|0.500000| |5.449890|8.685669|6.966394|6.394376|6.201534|4.708785|3.714049|3.024854|3.497606|7.094010|17.639854|9.252343|0.139095|0.139216|0.122257|0.195170|0.140073|0.195817|0.130767|0.154917|0.113094|0.106274|0.093723|0.079055|0.086158|0.067692|0.064669|0.187182|0.500000| |4.745953|5.414681|4.300649|3.673008|3.628564|3.247209|2.791774|2.325827|2.823051|4.354108|9.132103|17.706741|0.134850|0.135268|0.104036|0.127656|0.100447|0.106103|0.085026|0.093598|0.082261|0.079867|0.075041|0.061704|0.064375|0.056175|0.052629|0.126048|0.222757|0.500000| |7.200609|6.663343|4.761890|3.715691|3.705693|3.582792|3.184039|2.550088|3.130258|4.820273|9.037371|17.724869|0.217717|0.219857|0.142592|0.135196|0.116627|0.099844|0.087051|0.091037|0.089012|0.092177|0.088414|0.066947|0.068693|0.063223|0.057352|0.135622|0.173951|0.289972|0.500000|
481.724590 -2596.221978 966.367889 -70.660532 -1218.790031 736.797417 -481.992614 2.000556 4038000000000002 417CAFFDFFFFFFFE 4113F4DD37A6F4DD 40A4480000000000 3BD79CA100000000 40E2BF7FFFFFFFFF