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MUNgauss RevisionA2.1 retrievium 06-Jan-2023 GDB_13 Smiles: CC1NCC2(CC2C=C)C1(C)C RHF 6-31G(d) (6D,10F) C1 165.151750 |X|Y|Z| 38.431018 21.444868 18.123659
24.627314 7 6 7 6 1
|36.858105| |12.506731|36.858105| |7.764698|13.086863|53.358707| |5.124122|8.019618|17.755551|36.858105| |5.026797|8.085941|10.940479|12.423875|36.858105| |3.871443|5.526539|7.188071|7.288546|12.723197|36.858105| |3.674311|4.986599|6.868177|7.190748|12.659034|12.650107|36.858105| |3.045558|3.894814|5.840460|6.176831|7.296393|7.333421|12.833899|36.858105| |2.629791|3.185404|4.682645|4.476547|5.068376|5.042250|7.662805|14.433390|36.858105| |7.257431|12.318244|11.059295|7.770315|12.342301|7.133360|7.124337|4.844889|3.903507|36.858105| |6.250122|7.456215|8.726779|6.053660|7.570306|5.004706|5.967928|4.565010|3.976389|12.389379|36.858105| |5.811646|7.477795|6.971305|4.999117|7.358846|6.326130|5.787454|4.011177|3.395090|12.450296|7.614779|36.858105| |17.530683|8.850857|9.462148|4.605293|4.243369|3.435411|3.197230|2.741945|2.379408|5.381058|4.689093|4.536733|0.500000| |17.544006|8.776150|7.623661|4.218282|4.462811|3.641618|3.423210|2.806792|2.460316|6.559484|5.675107|6.299021|0.302403|0.500000| |17.595963|8.799389|9.652718|4.840621|4.646343|3.519464|3.537337|3.008492|2.650351|6.515983|6.863489|5.062837|0.302222|0.299727|0.500000| |8.941719|17.404899|12.252861|6.848094|7.186968|5.785524|4.669206|3.650744|2.973738|8.931623|5.502157|7.223098|0.216563|0.212928|0.173813|0.500000| |6.867001|9.260261|25.947951|9.236682|5.980413|4.510798|4.155659|3.702200|3.028586|5.871416|4.831605|4.237529|0.199139|0.140604|0.170048|0.222385|0.500000| |4.324126|6.287385|12.185450|17.509049|8.764323|7.127777|6.172063|5.724920|4.157046|5.787888|4.545842|4.270151|0.114098|0.101951|0.110823|0.171454|0.231513|0.500000| |4.372654|5.957154|12.388573|17.553747|8.722803|5.798595|6.695387|6.747607|5.019390|6.159554|5.760339|4.202240|0.110238|0.101444|0.122410|0.139719|0.198751|0.302263|0.500000| |3.734345|5.083949|6.081790|5.417674|8.509074|17.728268|8.583259|5.505639|4.237985|6.570701|4.613463|7.162644|0.091852|0.101919|0.092889|0.154821|0.108612|0.146939|0.123980|0.500000| |3.454413|4.763449|6.651292|6.876906|8.612253|17.680589|8.581812|6.854589|4.739949|5.380440|4.053756|4.776337|0.088477|0.089331|0.087380|0.142687|0.122773|0.220863|0.154783|0.293616|0.500000| |3.502237|4.499852|5.833659|5.400752|8.672047|8.679180|17.675994|8.834161|7.125506|6.747031|6.194716|6.192726|0.083543|0.093588|0.094877|0.116378|0.099156|0.129261|0.143430|0.214465|0.171796|0.500000| |2.967751|3.805224|6.003924|6.638192|6.625496|6.768363|8.704893|17.660659|9.208888|4.381174|4.011404|3.592635|0.075946|0.074935|0.080805|0.100777|0.109107|0.188685|0.205909|0.139001|0.203238|0.171242|0.500000| |2.572282|3.051848|4.324768|3.931263|4.648854|4.592349|6.921030|9.078289|17.691869|3.840282|4.064084|3.463609|0.064012|0.067930|0.072506|0.078796|0.077359|0.099467|0.119044|0.113159|0.114987|0.211985|0.173892|0.500000| |2.356030|2.792324|4.174180|3.894818|4.103970|4.098466|5.497331|9.099013|17.717820|3.266356|3.341221|2.865421|0.060202|0.061117|0.066243|0.072937|0.076879|0.103742|0.123434|0.097566|0.112408|0.141311|0.220201|0.289100|0.500000| |5.924715|6.901345|9.806861|6.681847|6.939041|4.545939|5.505204|4.633180|4.055267|8.729441|17.589622|5.507667|0.129686|0.139041|0.194195|0.139669|0.148120|0.134346|0.194368|0.111743|0.107437|0.148246|0.116549|0.111666|0.096724|0.500000| |6.745798|6.612549|7.299726|4.704744|5.484275|4.050535|4.523355|3.631094|3.277670|8.739077|17.554141|6.999126|0.136441|0.182447|0.220760|0.139827|0.119378|0.104184|0.124233|0.108619|0.094074|0.132982|0.090725|0.094244|0.078682|0.301577|0.500000| |4.649316|5.455458|6.730335|5.175704|6.852457|4.973760|6.552906|4.985125|4.537338|8.787290|17.554855|6.889525|0.103198|0.123255|0.137929|0.123643|0.109130|0.113062|0.142880|0.129047|0.110524|0.213126|0.115090|0.135878|0.102776|0.301496|0.302522|0.500000| |4.448029|5.448926|5.777358|4.433073|6.648524|6.299738|6.270719|4.250952|3.691258|8.750889|6.849895|17.536075|0.100884|0.131284|0.114216|0.145876|0.099177|0.106958|0.108383|0.206966|0.129741|0.211522|0.101687|0.108264|0.084928|0.139627|0.171117|0.203316|0.500000| |6.230723|6.652247|6.198924|4.167439|5.415029|4.659774|4.449948|3.338816|2.933723|8.809883|7.046273|17.552366|0.131941|0.211567|0.152390|0.173622|0.107602|0.099923|0.100765|0.142287|0.104821|0.133133|0.084237|0.084020|0.070253|0.143054|0.214183|0.172562|0.303163|0.500000| |5.323731|6.923302|6.546548|4.731005|6.621054|6.595390|5.236133|3.737347|3.130900|8.729892|5.498898|17.568043|0.122899|0.161412|0.122981|0.221832|0.115835|0.119234|0.107703|0.229335|0.142605|0.147426|0.095910|0.087048|0.074554|0.122483|0.142379|0.139975|0.301259|0.302022|0.500000|
481.719685 -2643.590906 989.918907 -70.655489 -1242.607803 760.611869 -481.995934 2.000573 4040000000000007 417844BA0FFFFFFE 4110E1E59BD37A6E 40BACD0000000000 4013FFFFFFFFFFFF 41100F0400000001