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MUNgauss RevisionA2.1 retrievium 05-Jan-2023 GDB_13 Smiles: CC12CC1CC1CC1CC2(C)N RHF 6-31G(d) (6D,10F) C1 165.151750 |X|Y|Z| 31.999031 24.952158 17.597288
24.130346 9 6 9
|36.858105| |12.479424|36.858105| |7.513037|12.665818|36.858105| |7.518862|12.582261|12.692841|36.858105| |4.839711|7.020411|7.261703|12.490489|36.858105| |4.372521|5.880899|5.094475|7.496112|12.585510|36.858105| |3.431208|4.438836|4.032145|5.001148|7.296818|12.688847|36.858105| |4.383274|5.979180|4.769757|5.995941|7.422178|12.767691|12.685751|36.858105| |4.863441|7.312593|5.767386|6.161508|6.515464|7.345672|7.239853|12.567885|36.858105| |7.385018|12.243767|7.164545|6.967372|5.715568|5.719459|4.877870|7.421471|12.351638|36.858105| |5.800815|7.555562|6.128002|4.996032|4.225323|4.030210|3.732780|4.905385|7.618608|12.358087|36.858105| |6.869206|7.758617|4.919953|5.258816|4.515067|5.028650|4.363970|6.648005|7.920638|12.960135|7.692040|53.358707| |17.571012|8.823787|7.321858|7.245571|4.612643|3.967746|3.113185|3.752969|4.023980|5.426065|4.600595|6.758529|0.500000| |17.585296|8.783553|5.579374|6.375153|4.536735|4.441727|3.457651|4.475813|4.612874|6.554189|4.925776|10.081407|0.302120|0.500000| |17.518555|8.738842|6.239362|5.528602|3.942284|3.638225|3.024855|3.812579|4.418390|6.793346|6.324038|8.893859|0.303587|0.300499|0.500000| |7.125343|8.540203|17.686277|8.482069|5.445562|4.054504|3.305042|3.782997|4.387852|5.424538|5.110534|5.629144|0.223597|0.144296|0.173812|0.500000| |5.481939|8.548656|17.682628|8.667799|6.885364|4.893304|4.164792|4.747861|6.107495|6.694696|6.319679|6.094990|0.144800|0.122097|0.137455|0.294009|0.500000| |7.453795|8.777903|8.685090|17.669350|8.741051|6.161515|4.217323|4.833028|4.685164|5.345455|4.088095|6.189074|0.230961|0.185017|0.147810|0.210699|0.172340|0.500000| |4.147626|5.345428|5.835238|8.931753|17.526561|8.888208|5.949045|5.480515|4.764716|4.351432|3.439934|4.988278|0.115889|0.109796|0.095158|0.134643|0.152834|0.226633|0.500000| |4.235559|6.168291|7.146138|8.852021|17.577650|8.919306|7.181502|6.785934|6.790593|5.500984|4.365898|5.648337|0.111782|0.107483|0.100797|0.147662|0.223235|0.176529|0.306736|0.500000| |4.188654|5.101746|4.350784|6.380324|8.661852|17.676642|8.627173|8.678676|5.495575|4.790211|3.482251|6.293107|0.107622|0.124303|0.096078|0.101179|0.112012|0.165912|0.214756|0.173372|0.500000| |2.993843|3.654082|3.314925|4.031318|5.417819|8.551493|17.699323|8.574006|5.413499|3.989733|3.169691|5.192008|0.076216|0.085650|0.074234|0.078133|0.093762|0.099547|0.134525|0.144627|0.211320|0.500000| |3.164259|4.126291|4.007827|4.667480|6.840103|8.581226|17.678523|8.551226|6.737321|4.509353|3.670328|5.232783|0.080889|0.086046|0.078862|0.091439|0.121064|0.108047|0.158801|0.220483|0.171314|0.293315|0.500000| |4.192259|5.192085|4.018110|4.932175|5.528708|8.712674|8.680149|17.726416|8.711678|6.532869|4.473676|9.807516|0.098692|0.125525|0.102859|0.092341|0.108172|0.118268|0.123626|0.137804|0.216828|0.213594|0.171410|0.500000| |4.059172|5.423493|4.492295|4.571468|4.797681|5.484202|6.076629|8.923922|17.488852|8.899701|7.250971|9.732511|0.094482|0.109014|0.107795|0.101003|0.133941|0.103087|0.105240|0.141033|0.123173|0.137649|0.162505|0.212999|0.500000| |4.404117|6.692815|6.322377|6.259079|7.063852|6.798984|6.962179|8.841862|17.575940|8.808895|6.956008|7.726419|0.106161|0.111603|0.111898|0.130500|0.210696|0.128833|0.142363|0.241219|0.138198|0.141221|0.209185|0.172417|0.306526|0.500000| |4.999308|6.736813|6.654906|4.957900|4.301217|3.888244|3.664070|4.522382|6.925506|8.689525|17.566588|7.567765|0.118123|0.116008|0.146329|0.153490|0.217198|0.111034|0.097886|0.130484|0.091790|0.085560|0.104358|0.110157|0.179548|0.208043|0.500000| |6.396190|6.993484|5.738157|4.582139|3.710252|3.494327|3.168393|4.032470|5.501498|8.723095|17.544400|9.319079|0.140031|0.145660|0.222692|0.144795|0.153345|0.109579|0.086750|0.103641|0.086967|0.076562|0.085813|0.105770|0.145127|0.141610|0.302102|0.500000| |4.553512|5.484904|4.590139|4.023866|3.632843|3.646622|3.563790|4.618474|6.950440|8.770577|17.526196|9.633549|0.103394|0.114966|0.137601|0.110028|0.133763|0.094350|0.083828|0.104882|0.088581|0.085991|0.097543|0.121572|0.219413|0.170609|0.301514|0.301727|0.500000| |5.072837|5.712576|4.092155|4.278858|3.939920|4.519104|4.263083|6.331493|7.582641|9.361619|7.034525|25.846127|0.109641|0.149361|0.139971|0.097185|0.108676|0.103727|0.090423|0.104040|0.115165|0.106009|0.105189|0.201539|0.225620|0.150013|0.144141|0.167953|0.210955|0.500000| |7.554388|6.995678|4.610534|4.688565|3.871338|4.100548|3.569226|4.956380|5.779715|9.274969|7.255677|25.892411|0.147318|0.230361|0.224397|0.113333|0.114246|0.117900|0.090396|0.099358|0.107972|0.088610|0.089469|0.146951|0.150334|0.127407|0.144698|0.209722|0.184085|0.330446|0.500000|
481.711206 -2686.673228 1011.679013 -70.699089 -1263.982098 781.998161 -481.983937 2.000566 406F80000000000A 4179BCFDDFFFFFFA 4111E7A57A6F4DE6 40FF82A000000000 4010000000000000 415C63A7FFFFFFFD