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MUNgauss RevisionA2.1 retrievium 08-Feb-2023 GDB_13 Smiles: CC1CN(C)C2C(CC12)C1CC1 RHF 6-31G(d) (6D,10F) C1 165.151750 |X|Y|Z| 25.520711 38.680181 14.290811
24.162733 10 6 7 9 1
|36.858105| |12.489082|36.858105| |7.382239|12.438106|36.858105| |5.100817|8.162024|13.153492|53.358707| |3.829675|5.157706|7.761100|18.018592|36.858105| |5.014979|7.786927|8.141379|17.899740|7.735990|36.858105| |4.531583|5.838774|6.132522|10.002787|6.037423|12.206241|36.858105| |5.981217|7.164575|6.009874|8.054975|4.518201|8.704111|12.289978|36.858105| |7.303193|12.372912|7.939242|10.859523|5.128840|12.309334|8.656638|12.293953|36.858105| |3.379705|4.074122|4.190462|6.902147|4.748569|7.311202|12.582509|7.198845|5.599323|36.858105| |2.982059|3.347846|3.320645|5.040001|3.502315|4.836726|7.215935|5.923396|4.372490|12.726088|36.858105| |3.047063|3.563028|3.419571|5.430333|3.636545|5.586059|7.182548|5.984515|4.932324|12.704956|12.698015|36.858105| |17.535640|8.808129|6.652657|6.204031|3.585199|4.181704|3.746598|4.523985|5.392774|2.903412|2.579555|2.623868|0.500000| |17.540267|8.793580|5.422444|5.782715|3.273778|4.434512|4.056811|5.532740|6.644081|3.171999|2.876876|2.987662|0.301979|0.500000| |17.561776|8.739386|6.680884|6.437382|3.726915|4.758780|4.758970|6.467461|6.522137|3.514373|3.168890|3.108954|0.302251|0.301725|0.500000| |8.935792|17.532300|8.997839|9.783719|4.736063|6.569981|4.708694|5.395959|8.972482|3.562564|2.957640|3.237098|0.215780|0.212439|0.173346|0.500000| |6.353561|8.686824|17.549487|12.391205|6.864808|5.812223|4.581964|4.495011|5.677493|3.425603|2.804143|2.884780|0.183753|0.133651|0.155661|0.221328|0.500000| |6.947247|8.755078|17.379109|12.186285|6.962056|6.838627|6.387742|6.217617|6.703784|4.287265|3.472995|3.395047|0.173213|0.140839|0.205118|0.174770|0.301496|0.500000| |3.668330|4.642664|6.793461|12.172528|17.429739|6.690892|6.414287|4.590968|4.709550|5.060488|3.764426|3.690857|0.094888|0.086895|0.103779|0.113530|0.163295|0.200340|0.500000| |3.288294|4.327968|5.649913|12.505694|17.557018|7.086203|5.560603|4.088277|4.596260|4.877028|3.543122|3.804503|0.085270|0.080909|0.088458|0.114787|0.142175|0.141435|0.300278|0.500000| |3.608863|4.664963|7.037132|12.508146|17.558483|5.646260|4.567340|3.741655|4.284463|3.739718|2.925956|3.017057|0.097951|0.085513|0.096390|0.124048|0.204808|0.173632|0.300858|0.301906|0.500000| |4.059881|5.811161|5.852836|12.412762|6.718980|17.562190|8.562505|6.432628|8.423726|7.118793|4.709030|6.004363|0.097321|0.104545|0.105844|0.153084|0.130408|0.138622|0.156661|0.200668|0.141556|0.500000| |4.369296|5.357627|6.354057|9.668363|6.593709|8.617911|17.544922|8.691777|6.561018|8.997963|6.158655|5.450992|0.103442|0.105069|0.132678|0.119128|0.133387|0.207705|0.223952|0.157813|0.138249|0.176385|0.500000| |4.932729|5.463896|4.531717|6.232134|3.693931|6.477688|8.516584|17.585543|8.609144|6.859055|6.525703|6.809035|0.107134|0.137775|0.145642|0.125072|0.100616|0.127812|0.103747|0.096777|0.087047|0.153674|0.175483|0.500000| |6.678816|6.800632|5.903020|7.057212|4.145137|6.389205|8.557415|17.585187|8.481297|5.613547|5.055595|4.683844|0.138346|0.164877|0.233007|0.138503|0.125229|0.187649|0.121070|0.101360|0.098664|0.135664|0.221186|0.303052|0.500000| |6.177901|8.723610|5.749527|8.130981|4.197922|8.471569|6.375565|8.589782|17.581357|4.907955|4.043983|4.832798|0.132463|0.177838|0.148192|0.226582|0.127645|0.136382|0.106116|0.110033|0.100806|0.209431|0.137332|0.219579|0.176354|0.500000| |3.003338|3.627284|3.924801|6.722213|5.096879|6.417124|8.787914|5.341030|4.633791|17.649816|8.725903|8.742436|0.073647|0.077651|0.085898|0.090365|0.091691|0.110934|0.153615|0.154598|0.110260|0.184887|0.215791|0.138202|0.124073|0.114174|0.500000| |2.576713|2.852022|2.890305|4.375132|3.169373|3.959055|5.424329|4.484518|3.539997|8.570325|17.703614|8.565372|0.063248|0.069007|0.075935|0.071168|0.069455|0.084273|0.095675|0.090386|0.074837|0.109251|0.140226|0.132860|0.112068|0.091922|0.214475|0.500000| |3.169168|3.424830|3.309460|4.779050|3.241902|4.498985|6.714386|6.507563|4.427559|8.593895|17.697978|8.598866|0.075280|0.085693|0.095898|0.082707|0.077459|0.097982|0.097002|0.088354|0.076551|0.116483|0.164260|0.213173|0.162699|0.113411|0.171956|0.293315|0.500000| |3.292594|3.824929|3.465608|5.349512|3.414103|5.598416|6.628323|6.600947|5.529830|8.540276|8.584780|17.706303|0.077501|0.092106|0.092110|0.097091|0.081003|0.093969|0.094052|0.097222|0.079960|0.165442|0.137013|0.234796|0.138393|0.161101|0.171787|0.171128|0.211242|0.500000| |2.648367|3.082267|3.004195|4.825549|3.346302|4.679563|5.409642|4.530564|4.052021|8.590325|8.577143|17.703787|0.064700|0.072385|0.074165|0.080029|0.072228|0.081945|0.093243|0.100529|0.078343|0.147811|0.122606|0.137974|0.103334|0.112945|0.216059|0.209915|0.171093|0.293801|0.500000|
481.760402 -2640.226518 988.326405 -70.698004 -1240.837716 758.849647 -481.988068 2.000473 406B7FFFFFFFFFF6 4177FD695FFFFFFC 4110B0494DE9BD35 4113B15BFFFFFFFF C008000000000000 4188094558000000