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MUNgauss RevisionA2.1 retrievium 24-Mar-2022 GDB_13 Smiles: CC1CC(=CC(C=C)C=C)C=C1 RHF 6-31G(d) (6D,10F) C1 160.125201 |X|Y|Z| 21.480345 16.634995 47.343411
25.670904 5 6 5
|36.858105| |12.455950|36.858105| |7.379792|12.299877|36.858105| |5.141903|7.782235|12.503265|36.858105| |3.849540|5.118005|7.527722|14.388784|36.858105| |3.061796|3.840734|4.802072|7.489240|12.569030|36.858105| |2.635286|3.263498|3.929539|5.348557|7.671526|12.574065|36.858105| |2.408882|2.956594|3.346794|4.352560|5.379682|7.570562|14.456886|36.858105| |2.714405|3.198534|3.943308|5.369121|7.669562|12.573916|7.667921|5.399770|36.858105| |2.514582|2.872341|3.359592|4.368998|5.375561|7.570372|5.402692|4.421827|14.456359|36.858105| |5.337392|8.047620|7.963705|12.919200|7.543139|6.020494|4.506784|4.041587|4.525234|4.062337|36.858105| |7.477167|12.600028|7.979756|8.246193|5.313460|4.288076|3.514561|3.254837|3.477992|3.203134|14.391770|36.858105| |17.540083|8.782625|6.682692|4.499446|3.551597|2.819214|2.481312|2.260043|2.533042|2.327659|4.329980|5.468531|0.500000| |17.538041|8.769025|5.408924|4.236906|3.287919|2.731402|2.394837|2.238741|2.428939|2.286533|4.687268|6.718881|0.301696|0.500000| |17.541208|8.783889|6.718931|5.042980|3.842820|3.092850|2.598144|2.352957|2.822604|2.657997|5.258193|6.802481|0.301050|0.301178|0.500000| |8.929427|17.489116|8.761319|6.253383|4.520651|3.507699|3.139491|2.911979|2.892643|2.587379|6.364028|8.954885|0.213117|0.214244|0.173726|0.500000| |5.971712|8.639256|17.576577|8.743040|6.779058|4.438007|3.900874|3.322284|3.654793|3.063257|5.872697|5.866250|0.168490|0.128996|0.145587|0.224145|0.500000| |7.346450|8.771931|17.528227|8.881350|6.473108|4.366732|3.524670|2.983647|3.878248|3.368116|6.331267|6.335486|0.193613|0.144804|0.212444|0.177248|0.302775|0.500000| |3.609136|4.583272|6.986622|9.226818|17.636294|8.656765|6.831141|4.776979|6.788552|4.749524|5.495615|4.369978|0.096431|0.085092|0.099651|0.115558|0.198333|0.177861|0.500000| |3.093608|3.891911|4.529326|7.099354|8.893318|17.590119|8.983513|7.287472|8.979524|7.283660|6.925947|4.685681|0.077361|0.078037|0.087012|0.098332|0.112444|0.113266|0.172008|0.500000| |2.507221|3.049592|3.747680|4.756297|6.808731|8.626791|17.643224|9.197325|6.760560|4.758032|3.857599|3.141152|0.066898|0.062970|0.068536|0.082192|0.107390|0.095063|0.198009|0.172621|0.500000| |2.431184|2.983954|3.255566|4.270185|4.930933|6.854204|9.084326|17.690956|4.963483|4.362722|4.281084|3.421107|0.062459|0.063520|0.066090|0.081383|0.087503|0.080443|0.116605|0.217831|0.173765|0.500000| |2.180300|2.629545|2.938825|3.613864|4.319969|5.448121|9.104361|17.711447|4.327581|3.655969|3.357475|2.823667|0.057552|0.056706|0.058816|0.073197|0.082889|0.073377|0.112798|0.143517|0.219759|0.289174|0.500000| |2.583396|2.992936|3.763451|4.775651|6.812840|8.626661|6.754746|4.752361|17.643659|9.197409|3.872278|3.113930|0.068379|0.063881|0.074435|0.075905|0.100199|0.105075|0.196719|0.172582|0.193869|0.116483|0.112073|0.500000| |2.291713|2.547466|2.951685|3.627898|4.317766|5.447986|4.328812|3.655075|9.103963|17.711561|3.374883|2.777050|0.059609|0.058136|0.067726|0.064066|0.075708|0.083992|0.112160|0.143465|0.112186|0.099226|0.087680|0.219754|0.500000| |2.534369|2.898649|3.264904|4.282208|4.925320|6.853821|4.968107|4.365637|9.083820|17.690331|4.301727|3.361116|0.064204|0.064849|0.074466|0.072457|0.081457|0.089630|0.116059|0.217694|0.116632|0.127400|0.099310|0.173762|0.289185|0.500000| |4.212959|5.604591|5.561640|8.438146|6.542117|6.324555|4.668301|4.343472|4.763501|4.476304|17.749273|8.954776|0.097737|0.107813|0.118132|0.133416|0.124719|0.133301|0.133322|0.233466|0.106773|0.134867|0.098057|0.108422|0.100840|0.139786|0.500000| |6.564342|8.375429|5.568057|5.690962|4.159610|3.611475|3.056348|2.924118|3.024539|2.874901|8.943280|17.704220|0.134768|0.189916|0.168171|0.197240|0.124498|0.133314|0.097863|0.111759|0.076016|0.087003|0.071481|0.075348|0.070192|0.085337|0.207441|0.500000|
463.389329 -2365.583833 863.283073 -68.041759 -1106.953190 643.299510 -463.653680 2.000570 400FFFFFFFFFFFF4 41884FC09FFFFFFF 4121AE5D8BA2E8B9 4070000000000001 BBD79CA100000000 40BA480000000000