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MUNgauss RevisionA2.1 retrievium 30-Sep-2022 GDB_13 Smiles: CC1C2CC(C)NN=C2C=C1C RHF 6-31G(d) (6D,10F) C1 164.131349 |X|Y|Z| 21.880101 40.917192 12.653838
22.459106 9 6 7 7 2
|36.858105| |12.416230|36.858105| |7.333594|12.293971|36.858105| |6.187215|7.072699|12.506357|36.858105| |4.258549|4.851190|7.763315|12.428963|36.858105| |3.482029|3.660159|4.958752|7.488271|12.508370|36.858105| |4.086474|4.572297|6.748775|7.871379|13.085979|7.874337|53.358707| |4.463082|5.323346|7.666553|6.670535|7.780423|5.118156|18.727996|53.358707| |5.740143|7.941642|12.585670|7.661092|7.003131|4.562369|11.463841|20.655089|36.858105| |5.687041|8.046211|7.969156|5.139461|4.564303|3.382650|7.080343|10.682956|12.976003|36.858105| |7.521154|12.464739|7.971888|5.028704|4.072559|3.125013|5.769565|7.469136|8.311279|14.348199|36.858105| |5.791252|7.210278|4.985759|3.662961|3.088124|2.514814|4.342415|5.312236|5.073933|7.537963|12.705767|36.858105| |17.554600|8.762599|6.567916|6.548534|4.321633|3.680446|5.322157|5.433205|4.856165|4.493393|5.475470|4.463148|0.500000| |17.554883|8.769512|5.396682|4.591959|3.435011|2.906684|4.564354|5.025781|4.589397|4.958583|6.819301|6.304162|0.302556|0.500000| |17.555004|8.752279|6.716748|6.071127|4.397662|3.622045|6.118037|6.737338|6.079201|5.859168|6.831534|5.216836|0.300817|0.301633|0.500000| |8.918304|17.515325|8.739867|5.900299|4.225803|3.320162|5.200853|5.795521|5.820981|6.005733|8.809276|6.664858|0.214235|0.213189|0.173497|0.500000| |5.536701|8.951145|17.504077|8.956582|6.961570|4.609171|7.816635|8.640548|9.092377|6.772556|6.786249|4.639056|0.144282|0.124221|0.137368|0.230712|0.500000| |5.554857|6.162562|8.765993|17.537381|8.801799|6.860311|7.696438|6.666552|5.549082|4.195680|4.323864|3.336373|0.178618|0.119595|0.141541|0.160910|0.218467|0.500000| |6.909723|6.522734|8.779716|17.562819|8.896403|6.866798|9.827736|8.345297|6.670517|4.802335|4.761134|3.562569|0.210252|0.138267|0.207487|0.146428|0.174042|0.301449|0.500000| |3.793739|4.560789|7.212339|8.909995|17.421383|8.897872|12.293002|9.234913|6.431461|4.403040|3.930392|3.022477|0.106032|0.087452|0.104877|0.115579|0.214401|0.212853|0.174659|0.500000| |3.574719|3.553685|4.563183|6.828231|8.830955|17.568233|9.686074|6.542845|4.281963|3.255346|3.036971|2.467951|0.106047|0.082836|0.106505|0.088308|0.112639|0.170222|0.205070|0.173639|0.500000| |2.962974|3.140673|4.124442|5.459581|8.793062|17.532782|9.688039|6.442694|4.045973|3.085661|2.799349|2.294481|0.085196|0.070422|0.085951|0.079889|0.110000|0.139969|0.140665|0.212034|0.301235|0.500000| |3.319999|3.483306|4.560890|6.780924|8.822153|17.549018|7.695099|5.670010|3.950559|3.052984|2.914223|2.388425|0.100322|0.077861|0.092837|0.090946|0.122688|0.203224|0.167666|0.214548|0.299976|0.301836|0.500000| |3.370259|3.733618|5.121828|5.738532|9.257045|7.216068|25.992842|13.389214|6.294279|4.385172|3.586039|2.815006|0.090212|0.079441|0.101753|0.089770|0.130455|0.126763|0.148076|0.217153|0.177241|0.213989|0.145452|0.500000| |4.434407|5.588028|5.580143|4.081578|3.866768|2.993650|6.204759|9.218021|8.479054|17.739763|8.872873|6.613206|0.100984|0.113225|0.129703|0.127083|0.141337|0.095357|0.108115|0.105031|0.080423|0.078039|0.074977|0.112852|0.500000| |4.513625|5.367728|4.225149|3.213612|2.835729|2.333442|4.098057|5.087815|4.636521|7.091339|8.879109|17.579730|0.100864|0.132995|0.120255|0.137306|0.111295|0.080926|0.086990|0.077629|0.063581|0.060145|0.061139|0.075326|0.202742|0.500000| |6.238295|6.479444|4.419951|3.451565|2.875228|2.400602|4.032876|4.782159|4.391589|5.903655|8.865206|17.535129|0.131298|0.213627|0.156699|0.166116|0.110912|0.088187|0.096712|0.076665|0.066610|0.060600|0.063537|0.072661|0.146718|0.301347|0.500000| |5.090176|6.502763|4.605311|3.437068|2.902664|2.388426|3.952671|4.681156|4.388917|5.880353|8.900598|17.518399|0.115833|0.154748|0.121845|0.193909|0.126516|0.090012|0.090834|0.080658|0.064419|0.060646|0.064107|0.071926|0.144839|0.300846|0.302770|0.500000|
496.485570 -2618.022555 965.809662 -70.991921 -1226.719243 729.869933 -496.849310 2.000733 4037FFFFFFFFFFFB 418AE811B8000008 4123222EBBBBBBC1 40C6B18000000003 C01C000000000000 4163DB13BFFFFFFE