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MUNgauss RevisionA2.1 retrievium 05-Jan-2023 GDB_13 Smiles: CC1N(C)C2CC2C=CC1(C)C RHF 6-31G(d) (6D,10F) C1 165.151750 |X|Y|Z| 25.921304 31.173965 17.660163
24.255740 8 6 7 7 1
|36.858105| |12.387459|36.858105| |7.875392|12.926729|53.358707| |6.272574|7.817634|17.880470|36.858105| |5.100778|7.485334|18.102117|8.140158|36.858105| |4.137204|5.095894|10.421905|5.919579|12.678767|36.858105| |4.384561|5.821802|10.202461|5.105290|12.782786|12.693538|36.858105| |4.849480|5.966366|8.682902|4.336447|7.371108|7.237530|12.817077|36.858105| |6.011968|7.456097|8.681296|4.305249|6.186270|5.269481|7.714003|14.433301|36.858105| |7.448742|12.178880|10.086533|4.975930|6.389603|4.682804|6.278193|7.499287|12.471022|36.858105| |6.649144|7.504204|6.684593|3.832010|4.229967|3.421091|4.212349|5.070046|7.685869|12.338001|36.858105| |4.885757|7.432040|7.983038|4.394178|6.079470|4.359854|5.990370|6.018247|7.476268|12.325298|7.774646|36.858105| |17.624888|8.741261|10.097600|7.145156|4.774060|4.000461|3.943984|4.115924|4.672650|5.435738|4.869244|4.035745|0.500000| |17.591701|8.710426|7.693697|4.887084|4.100935|3.390237|3.654432|4.071247|5.154987|6.612966|7.326008|4.582237|0.304348|0.500000| |17.566596|8.793682|9.363930|5.261892|4.872908|4.254782|4.540585|5.443997|6.798707|6.941533|6.235819|4.487529|0.303600|0.300121|0.500000| |8.876740|17.419199|12.304420|7.467767|6.210105|4.285868|4.753726|4.618625|5.516673|8.917340|6.793494|7.280655|0.205812|0.217930|0.173839|0.500000| |7.082668|7.227509|12.319966|17.633393|5.779138|4.651967|4.159038|3.812687|3.935470|4.557441|3.762790|3.877627|0.265737|0.153628|0.157197|0.196983|0.500000| |4.924236|5.671327|12.479180|17.581640|7.567240|6.552935|4.968615|4.081822|3.832300|4.109647|3.238166|3.727706|0.155361|0.109917|0.124342|0.146809|0.302931|0.500000| |5.175793|6.750760|12.211766|17.413202|7.103574|5.033656|4.580698|3.829285|3.848593|4.637539|3.655455|4.469443|0.156027|0.121202|0.119552|0.209765|0.301522|0.300528|0.500000| |4.291140|6.172552|12.105697|7.347025|17.580083|8.624921|8.692481|5.529849|4.921094|5.442244|3.824508|5.965647|0.113857|0.100776|0.110411|0.162321|0.145308|0.191073|0.213053|0.500000| |3.386266|4.062938|7.656412|4.945166|8.517518|17.699164|8.585692|5.436822|4.164142|3.808650|2.917468|3.753205|0.092565|0.079720|0.095474|0.100233|0.110292|0.158274|0.124374|0.210652|0.500000| |4.356242|4.930920|9.908660|5.835341|8.678031|17.720417|8.593235|6.707777|5.067535|4.375925|3.316952|3.826291|0.119905|0.097332|0.129519|0.112693|0.134749|0.185777|0.129855|0.172246|0.291329|0.500000| |3.610049|4.689772|7.566753|4.219510|8.757932|8.746401|17.643232|8.826863|6.140043|5.296127|3.782479|5.785664|0.091135|0.087153|0.102095|0.113990|0.097172|0.115157|0.111498|0.219209|0.216223|0.172064|0.500000| |4.056328|4.561765|6.639264|3.621655|5.495899|6.160814|8.659025|17.666623|9.179521|5.434047|4.198481|4.586996|0.098653|0.097265|0.130001|0.102636|0.090848|0.097969|0.089313|0.121860|0.137853|0.170006|0.196655|0.500000| |5.417649|5.775118|6.641946|3.590097|4.616152|4.207361|5.549785|9.256428|17.668038|8.571376|7.561093|5.738883|0.117973|0.137422|0.180194|0.126420|0.094810|0.090252|0.089840|0.106959|0.096334|0.117017|0.131700|0.224676|0.500000| |7.253016|6.612732|6.203852|3.628761|3.827570|3.243072|3.848236|4.786450|7.095996|8.652557|17.598352|5.557393|0.144100|0.236809|0.206481|0.158769|0.102248|0.086507|0.093435|0.094240|0.076680|0.090395|0.094448|0.114973|0.221189|0.500000| |6.272559|6.981030|6.210962|3.795314|3.870939|3.096764|3.659392|4.092995|5.536949|8.709310|17.543679|6.945516|0.133903|0.210176|0.149507|0.205898|0.105595|0.087779|0.103984|0.101006|0.074749|0.083128|0.092923|0.095938|0.147320|0.301347|0.500000| |4.859991|5.476065|5.507778|3.237271|3.741341|3.127547|3.919145|4.760936|6.900371|8.806720|17.547484|7.353105|0.106261|0.144693|0.132834|0.142202|0.087137|0.078300|0.087145|0.096033|0.075618|0.083300|0.101927|0.113357|0.202494|0.302937|0.302020|0.500000| |4.053564|5.434303|6.179234|3.546890|4.844467|3.827585|5.283754|5.660898|6.944248|8.774644|7.080880|17.553175|0.094305|0.108598|0.108194|0.145303|0.088888|0.086808|0.099282|0.131852|0.093907|0.094387|0.150795|0.126418|0.160895|0.144733|0.169203|0.223175|0.500000| |4.649314|6.762891|7.039433|4.232373|5.048152|3.694812|4.623457|4.539556|5.477149|8.782523|7.263381|17.528003|0.109198|0.127248|0.113418|0.217465|0.106357|0.098176|0.125408|0.145280|0.090796|0.091857|0.125037|0.101637|0.127010|0.144138|0.214945|0.187356|0.301721|0.500000| |4.406690|6.717781|8.608784|4.748193|7.679822|5.148734|7.339378|6.214218|6.562800|8.607601|5.546857|17.673539|0.106011|0.110618|0.113494|0.181897|0.110586|0.114228|0.136971|0.228420|0.124445|0.118231|0.209033|0.130331|0.137410|0.122107|0.141939|0.145830|0.303060|0.302706|0.500000|
481.689031 -2685.165998 1010.757265 -70.650274 -1263.369976 781.392529 -481.977447 2.000599 4040000000000007 41763B7E8FFFFFFD 410EEE99D37A6F4A 40C9000000000000 4018000000000000 41376AC800000000