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MUNgauss RevisionA2.1 retrievium 02-Jul-2022 GDB_13 Smiles: CC1(C)CC2NC3CC(C)(C3)C12 RHF 6-31G(d) (6D,10F) C1 165.151750 |X|Y|Z| 24.418873 31.844655 17.036377
23.661729 9 6 7 8 1
|36.858105| |12.471166|36.858105| |7.646674|12.429796|36.858105| |7.306560|12.282344|7.478658|36.858105| |5.441506|8.701753|6.172353|12.362370|36.858105| |4.261199|5.551320|4.214246|7.416259|13.055610|53.358707| |4.146474|4.912229|3.701128|5.508013|7.815660|17.834656|36.858105| |5.387172|5.752121|3.995205|5.843922|6.741991|10.550934|12.393553|36.858105| |5.940336|6.977305|4.858370|5.860016|7.443123|9.264561|8.947828|12.247689|36.858105| |5.591954|5.572558|4.348033|4.334891|4.834678|6.001530|5.404544|7.179758|12.519004|36.858105| |4.068090|4.842338|3.822122|4.694736|6.676130|10.369114|12.318857|8.982860|12.252831|7.254881|36.858105| |7.081033|12.132850|7.495797|8.720458|12.201590|10.057387|6.912769|7.469819|12.394013|7.413602|7.749202|36.858105| |17.542435|8.752106|7.031145|5.375062|4.515981|4.952685|3.661831|4.653605|5.500910|5.963837|3.816763|6.180325|0.500000| |17.590221|8.713106|5.507973|6.624797|5.219953|6.047557|4.571532|6.602727|6.451898|6.004188|4.314527|6.512563|0.301529|0.500000| |17.521713|8.861401|6.940221|6.625039|4.641350|5.082116|3.523610|4.342821|4.498040|4.244841|3.364122|5.321701|0.302178|0.302456|0.500000| |7.012919|8.775721|17.528939|6.592183|4.996271|4.974951|3.208225|3.480248|3.952944|3.622052|3.204256|5.460396|0.176424|0.141512|0.209903|0.500000| |5.514703|8.728375|17.537975|6.987988|6.558004|5.953756|3.685782|3.726491|4.514088|3.909685|3.822288|7.039338|0.141689|0.122361|0.141844|0.301811|0.500000| |6.909032|8.767517|17.527249|5.459421|4.982622|4.970415|3.383876|3.699591|4.683870|4.579308|3.671076|6.605326|0.209322|0.141246|0.168398|0.301037|0.301653|0.500000| |5.811987|8.454293|7.142762|17.541346|8.477846|7.942765|4.352121|4.410075|4.435925|3.521675|3.802836|6.186677|0.126252|0.142581|0.163472|0.196296|0.199716|0.141565|0.500000| |7.031260|8.599801|5.529587|17.596032|8.713164|9.745252|5.672946|6.464084|5.559845|4.169830|4.476563|6.798166|0.140667|0.203258|0.183595|0.144697|0.140189|0.122436|0.301364|0.500000| |4.480247|6.857951|6.024144|8.756054|17.583594|12.464751|5.919767|4.951520|5.627509|4.070946|5.546546|8.645057|0.108265|0.115543|0.110907|0.136271|0.203012|0.135393|0.217388|0.175377|0.500000| |3.551545|4.545101|3.752040|5.758623|9.371040|25.926238|9.458919|5.735646|5.435806|3.811478|6.745085|5.908322|0.086925|0.100705|0.088392|0.091279|0.112276|0.091794|0.138853|0.149896|0.244854|0.500000| |3.423883|3.876083|3.073401|4.390163|5.671121|12.493620|17.594136|8.436247|6.117218|4.346706|8.397513|4.965587|0.085339|0.105160|0.083597|0.076078|0.085590|0.078874|0.102063|0.129252|0.130975|0.227603|0.500000| |4.510507|4.478826|3.339521|4.418296|4.892117|7.664638|8.758783|17.554076|8.714476|6.843886|7.502006|5.462170|0.114041|0.154935|0.104110|0.082591|0.086606|0.088569|0.098516|0.135587|0.108206|0.127481|0.210623|0.500000| |6.210487|6.222908|4.150053|6.781932|6.581880|9.669310|8.449428|17.625252|8.289366|5.785322|6.118587|6.730783|0.138441|0.229769|0.142023|0.103604|0.104937|0.103715|0.138730|0.240218|0.133108|0.144745|0.183536|0.300446|0.500000| |6.894360|5.902798|4.564647|4.356584|4.431308|5.358226|4.556870|6.311466|8.747044|17.582815|5.358463|6.570970|0.222802|0.209846|0.139687|0.108057|0.108485|0.135776|0.098955|0.118444|0.103816|0.093980|0.104524|0.167949|0.158838|0.500000| |4.872811|5.116159|4.390626|3.930399|4.467569|5.389011|4.588094|5.345494|8.816992|17.523255|6.423240|6.822489|0.150501|0.134400|0.106390|0.099938|0.112086|0.135188|0.091662|0.101252|0.110407|0.098849|0.105026|0.140057|0.124872|0.301704|0.500000| |4.437904|4.312859|3.490742|3.629803|4.040875|5.391263|5.101494|6.642655|8.832874|17.534494|6.752717|5.441819|0.129390|0.137218|0.098946|0.083730|0.089215|0.100965|0.083966|0.100228|0.096341|0.097124|0.120731|0.205101|0.145808|0.302073|0.301599|0.500000| |3.671193|4.541970|3.838615|4.409920|6.542138|9.459300|8.397897|6.131958|8.365789|5.887348|17.529001|7.235940|0.097094|0.103366|0.086106|0.088470|0.111430|0.103042|0.103033|0.111669|0.168365|0.192924|0.181576|0.146077|0.132049|0.126048|0.163800|0.148746|0.500000| |3.534338|3.932113|3.217301|3.769150|4.856154|7.566028|8.672419|7.430055|8.663624|6.891608|17.545734|5.578598|0.094673|0.105919|0.082568|0.076821|0.088420|0.087937|0.087585|0.102905|0.117210|0.143210|0.208606|0.210441|0.145268|0.140556|0.169840|0.208896|0.298765|0.500000| |5.650016|8.570199|7.430970|6.300760|8.517900|7.897024|5.517046|5.524496|8.966858|6.881551|6.985251|17.515706|0.151646|0.139843|0.124537|0.145478|0.211543|0.202062|0.142147|0.139172|0.219133|0.143561|0.117679|0.123664|0.136568|0.164182|0.207502|0.142057|0.209960|0.146362|0.500000|
481.806363 -2710.394424 1023.514098 -70.701766 -1275.775729 793.782161 -481.993568 2.000389 3D13000000000000 41762B48FFFFFFFB 410ED80C8590B20F 40F3D08000000000 C00FFFFFFFFFFFFE 41604AE87FFFFFFF