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11.94516
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MUNgauss RevisionA2.1 retrievium 06-Apr-2022 GDB_13 Smiles: CC(C)C1CC2=CCCCC2=C1 RHF 6-31G(d) (6D,10F) C1 162.140851 |X|Y|Z| 22.084319 45.735248 10.946750
22.277857 9 6 9
|36.858105| |12.424318|36.858105| |7.601858|12.427543|36.858105| |7.516636|12.359531|7.466231|36.858105| |6.183930|7.340762|4.819265|12.249864|36.858105| |4.218661|5.124965|3.919775|7.826598|12.582817|36.858105| |3.371643|3.817420|3.082574|5.110587|7.400213|14.396326|36.858105| |2.725819|3.103606|2.662205|3.941437|4.831026|7.686291|12.591791|36.858105| |2.666074|3.140374|2.805092|4.035566|4.415051|6.706009|7.527076|12.411228|36.858105| |3.036026|3.804864|3.416134|4.945703|4.993974|7.456301|6.533050|7.488684|12.410092|36.858105| |3.967114|5.278329|4.376172|8.026891|7.934315|12.945043|7.760418|6.534616|7.679439|12.683206|36.858105| |4.857473|7.365297|6.177093|12.543160|7.945741|8.284797|5.379484|4.521180|5.137124|7.403372|14.382802|36.858105| |17.543676|8.773092|6.984432|5.468898|4.688111|3.483469|2.885205|2.403443|2.358789|2.679755|3.354565|4.016604|0.500000| |17.564241|8.711299|5.492618|6.823503|6.950648|4.496429|3.658431|2.870456|2.712523|3.018882|3.936524|4.511703|0.302282|0.500000| |17.518542|8.772436|6.870420|6.803582|5.496655|3.900356|3.175297|2.596966|2.566237|2.864307|3.688573|4.502923|0.301701|0.301652|0.500000| |8.899263|17.489494|8.913189|8.903371|6.836854|5.089184|3.849416|3.153746|3.146701|3.880402|5.245735|6.765712|0.212809|0.211896|0.173394|0.500000| |6.796451|8.762201|17.518281|6.817878|4.459710|3.672208|2.934918|2.551839|2.711035|3.214334|4.057461|5.609262|0.168821|0.138943|0.201199|0.173458|0.500000| |5.496580|8.713629|17.571906|6.691584|4.456248|3.908404|3.080993|2.736123|2.968040|3.751448|4.683765|6.789724|0.142700|0.122267|0.139392|0.214245|0.301385|0.500000| |7.058130|8.784099|17.543848|5.452503|4.005886|3.305069|2.695076|2.355345|2.447453|2.918516|3.578618|4.652069|0.214432|0.142863|0.173516|0.211466|0.301787|0.302709|0.500000| |6.970777|8.927234|6.861128|17.456264|8.755533|6.302270|4.527294|3.598881|3.737440|4.329318|6.365434|8.933086|0.141824|0.170997|0.207361|0.175105|0.205267|0.165185|0.141214|0.500000| |5.928379|5.977188|4.206095|8.603667|17.578662|8.759138|6.613256|4.395519|3.927488|4.128310|5.848190|5.838339|0.124637|0.195714|0.157974|0.148179|0.113589|0.105517|0.099910|0.223489|0.500000| |6.456474|7.287772|4.639051|8.745137|17.527654|8.919862|6.346355|4.354906|3.875145|4.406336|6.332020|6.328705|0.140829|0.219690|0.146229|0.217256|0.114139|0.118536|0.112101|0.176779|0.302792|0.500000| |3.276017|3.513287|2.824969|4.473343|6.663420|9.113503|17.668505|8.549575|5.452100|4.771920|5.542051|4.343619|0.078321|0.101860|0.086118|0.098216|0.075178|0.076842|0.069890|0.113210|0.186263|0.169178|0.500000| |2.466263|2.726110|2.372952|3.392248|4.097947|5.808011|8.904925|17.525317|8.843060|5.489381|4.952127|3.735476|0.060802|0.072352|0.066314|0.075906|0.064144|0.067087|0.058904|0.089154|0.109646|0.102949|0.214651|0.500000| |2.557326|2.900760|2.501707|3.515832|4.253380|6.200544|8.890825|17.476376|8.805775|6.557043|5.523591|4.006849|0.063687|0.075042|0.066772|0.084099|0.065713|0.071820|0.062420|0.087743|0.106321|0.113173|0.196917|0.304720|0.500000| |2.655700|3.089669|2.795897|4.046020|4.309775|6.182077|6.649605|8.864422|17.527301|8.866812|6.918758|5.027712|0.064837|0.074516|0.072575|0.083436|0.076919|0.081404|0.067326|0.109135|0.110556|0.101600|0.141411|0.220050|0.174078|0.500000| |2.331189|2.708350|2.479913|3.319740|3.548365|4.907099|5.507210|8.813675|17.540718|8.805260|5.560712|4.127668|0.058310|0.065630|0.062442|0.076046|0.066651|0.073375|0.061107|0.086317|0.089313|0.089584|0.121777|0.208792|0.218373|0.302912|0.500000| |2.846254|3.575276|3.397340|4.492987|4.193830|5.532444|4.856517|5.461266|8.764382|17.553271|8.870873|6.833664|0.070635|0.076848|0.075663|0.099547|0.090120|0.106594|0.080553|0.113533|0.099173|0.103327|0.105841|0.123142|0.136467|0.213838|0.210810|0.500000| |2.893616|3.603730|3.232403|4.377509|4.520693|6.342247|5.841525|6.773449|8.849029|17.493853|8.971760|6.107041|0.072280|0.080509|0.074418|0.106659|0.082536|0.099169|0.078502|0.104115|0.103431|0.118448|0.123846|0.138389|0.192375|0.173968|0.214193|0.302706|0.500000| |4.328576|6.445272|6.571567|8.336481|5.548382|5.712587|4.215558|3.813707|4.512685|6.508237|8.963419|17.718823|0.103983|0.107868|0.113643|0.165279|0.167322|0.229899|0.136027|0.196717|0.124042|0.132967|0.097685|0.089909|0.096234|0.124111|0.106120|0.192893|0.154211|0.500000|
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