Version2.1 2020-12-27T21:09:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)COC[C@@H](C[NH+](CCN1CCOCC1)Cc2[nH]c(=O)c3c4c(sc3n2)CCCC4)O C36155999 RHF 6-31G(d) (6D,7F) CC(C)COC[C@@H](C[NH+](CCN1CCOCC1)Cc2[nH]c(=O)c3c4c(sc3n2)CCCC4)O C01[X(C24H39N4O4S1)] 210 C1 577 O[C@H](C[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)CCN1CCOCC1)COCC(C)C O[C@H](C[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)CCN1CCOCC1)COCC(C)C CC(C)COC[C@H](O)C[NH+](CCN1CCOCC1)CC2=Nc3sc4CCCCc4c3C(=O)N2 InChIKey=WHHCBMRDDOENMO-GOSISDBHSA-O InChI=1S/C24H38N4O4S/c1-17(2)15-32-16-18(29)13-28(8-7-27-9-11-31-12-10-27)14-21-25-23(30)22-19-5-3-4-6-20(19)33-24(22)26-21/h17-18,29H,3-16H2,1-2H3,(H,25,26,30)/p+1/t18-/m1/s1 InChI=1/C24H38N4O4S/c1-17(2)15-32-16-18(29)13-28(8-7-27-9-11-31-12-10-27)14-21-25-23(30)22-19-5-3-4-6-20(19)33-24(22)26-21/h17-18,29H,3-16H2,1-2H3,(H,25,26,30)/p+1/t18-/m1/s1/fC24H39N4O4S/h25,28H/q+1 CC(C)COC[C@@H](C[NH+](CCN1CCOCC1)Cc2[nH]c(=O)c3c4c(sc3n2)CCCC4)O C01[X(C24H39N4O4S1)] 210 C01 577 O[C@H](C[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)CCN1CCOCC1)COCC(C)C CC(COC[C@@H](C[NH](CC1=N[C]2[C]([C]3=C(S2)CCCC3)C(=O)N1)CCN1CCOCC1)O)C CC(C)COC[C@H](O)C[NH](CCN1CCOCC1)CC2=N[C]3SC4=C(CCCC4)[C]3C(=O)N2 InChIKey=CPEQTKVHQRFDAR-GOSISDBHSA-N InChI=1S/C24H39N4O4S/c1-17(2)15-32-16-18(29)13-28(8-7-27-9-11-31-12-10-27)14-21-25-23(30)22-19-5-3-4-6-20(19)33-24(22)26-21/h17-18,28-29H,3-16H2,1-2H3,(H,25,26,30)/t18-/m1/s1 InChI=1/C24H39N4O4S/c1-17(2)15-32-16-18(29)13-28(8-7-27-9-11-31-12-10-27)14-21-25-23(30)22-19-5-3-4-6-20(19)33-24(22)26-21/h17-18,28-29H,3-16H2,1-2H3,(H,25,26,30)/t18-/m1/s1/f/h25H 3658.2722807556 -1846.1049716 1-A 24932.7177 129 448 577 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4609.47 4611.00 4614.95 4618.92 4623.15 4626.79 4645.82 4655.79 4660.18 4667.37 4684.90 4689.28 4691.66 4693.82 4700.28 4702.99 4704.68 4711.36 4716.70 4717.07 4722.61 4743.32 4749.34 4756.22 4783.29 4797.91 4873.38 5127.18 5506.70 5849.13 0.679673 0.711208 0.712152 0.610809 -1845.425299 -1845.393764 -1845.392820 -1845.494162 3.399027D-04 MUNgauss RevisionA2.0 retrievium 27-Dec-2020 DUDE CC(C)COC[C@@H](C[NH+](CCN1CCOCC1)Cc2[nH]c(=O)c3c4c(sc3n2)CCCC4)O C36155999 RHF 6-31G(d) (6D,10F) C1 479.269203 |X|Y|Z| 96.196248 117.516229 43.230680 78.767915 23 6 7 8 16 17 4 1 1 |36.858105| |12.447774|36.858105| |7.539236|12.437860|36.858105| |7.533931|12.507710|7.632231|36.858105| |6.498650|7.932030|5.093498|13.484423|73.516695| |4.514255|5.171294|3.922176|8.055459|24.414141|36.858105| |3.853229|4.057242|3.146625|5.229973|14.621561|12.520395|36.858105| |3.723903|4.005507|3.098517|4.893894|13.293286|8.984630|17.557425|0.500000| |2.989734|3.126776|2.588295|3.906167|9.171855|7.546228|12.455629|0.244702|36.858105| |2.660683|2.671933|2.242134|3.141542|7.094488|5.000009|7.627853|0.179867|12.694685|53.358707| |2.840205|2.769558|2.304709|3.226886|7.318573|4.983250|7.429249|0.166410|9.486097|25.482834|0.500000| |2.517028|2.526674|2.120639|2.860483|6.418313|4.189814|6.230311|0.178254|7.566011|17.212347|0.255895|36.858105| |2.344421|2.280945|1.934144|2.494796|5.432560|3.350336|4.562964|0.128220|4.993112|10.320620|0.207202|12.452946|36.858105| |2.153976|2.107837|1.805478|2.252521|4.806660|2.872618|3.722729|0.110521|3.883763|6.889523|0.134472|7.873003|13.202567|53.358707| |2.111066|2.023070|1.740275|2.107726|4.425564|2.555714|3.186743|0.093729|3.169946|5.321958|0.110395|5.198734|7.852679|17.742653|36.858105| |1.913197|1.852692|1.615190|1.903901|3.919174|2.235505|2.693076|0.080646|2.660033|4.231481|0.085696|3.998041|5.081888|10.644353|12.531268|36.858105| |1.712864|1.677597|1.480798|1.738798|3.539876|2.051026|2.441397|0.072432|2.490858|3.967696|0.078682|3.700484|4.555369|9.231896|7.932111|13.628333|73.516695| |1.731342|1.720076|1.516453|1.810391|3.709129|2.191386|2.639820|0.078841|2.769892|4.454750|0.085339|4.317316|5.079554|10.633797|6.777469|8.209275|24.276664|36.858105| |1.867310|1.849003|1.614999|1.979379|4.121436|2.489018|3.098028|0.090879|3.370037|5.811110|0.109680|6.007876|7.859005|17.771918|7.931752|6.790084|14.124726|12.523161|36.858105| |2.252973|2.267116|1.964393|2.636992|5.615764|3.879941|5.001510|0.122487|7.729479|17.422994|0.260919|7.661831|5.981324|5.875523|3.405049|2.785021|4.842933|3.091909|4.049140|36.858105| |2.234392|2.209436|1.934769|2.564485|5.322231|3.618289|4.326439|0.102391|5.930733|10.537455|0.220663|5.126592|4.645109|4.742152|2.958501|2.437320|4.210316|2.589142|3.255955|12.601068|36.858105| |1.963127|1.952667|1.747384|2.243435|4.504716|3.002966|3.390417|0.082830|4.408724|7.015282|0.141350|3.913999|3.651346|3.984786|2.538068|2.154467|3.797158|2.332375|2.857986|7.797788|14.113470|53.358707| |1.832156|1.841627|1.658769|2.108592|4.208641|2.799162|3.145733|0.078640|4.110685|6.428341|0.123022|3.768647|3.470541|3.892938|2.453261|2.115010|3.786961|2.358490|2.877645|7.308614|9.267183|25.940748|0.500000| |1.863233|1.835119|1.664319|2.084978|4.088386|2.657647|2.884673|0.070801|3.502991|5.297587|0.111634|3.110368|3.006564|3.383285|2.233400|1.920011|3.374493|2.030991|2.421521|5.033977|7.811016|18.395097|0.259730|36.858105| |1.679810|1.663955|1.528246|1.874709|3.620948|2.326274|2.482847|0.062085|2.961970|4.378082|0.090283|2.682651|2.602177|3.018893|2.007759|1.757915|3.123830|1.879878|2.203655|4.065639|5.450316|11.535846|0.219529|15.997602|73.516695| |2.024974|1.956983|1.766992|2.215029|4.337188|2.779056|2.989259|0.072247|3.475391|5.211658|0.116656|3.041623|2.998805|3.345311|2.257432|1.922315|3.318166|1.962364|2.326090|4.506731|7.012921|10.940293|0.161887|13.101710|14.176529|36.858105| |1.922107|1.838958|1.684825|2.047699|3.916442|2.439775|2.549616|0.062491|2.828847|4.117365|0.092020|2.512693|2.514494|2.890345|1.999526|1.728275|2.977221|1.736191|2.012667|3.370485|4.599859|6.876815|0.114971|7.298542|10.901799|13.184792|36.858105| |2.084168|1.954546|1.784844|2.156170|4.110028|2.509875|2.603279|0.063567|2.783069|4.018414|0.092224|2.474041|2.502510|2.879330|2.025065|1.743767|2.963256|1.707986|1.968153|3.121999|4.097975|5.591550|0.095034|5.130151|7.712429|8.259211|14.149145|36.858105| |2.498156|2.302062|2.043180|2.563477|5.037749|3.085630|3.283613|0.078125|3.447520|5.057128|0.123314|3.020108|3.061803|3.407228|2.389782|2.007393|3.348425|1.927804|2.255063|3.728949|4.946597|5.967956|0.099020|4.832808|6.840064|7.434702|7.367444|10.896479|388.023441| |2.328099|2.221259|1.964266|2.532885|5.086057|3.278897|3.625637|0.085285|4.180666|6.431743|0.154899|3.587434|3.540395|3.807792|2.563277|2.133677|3.616640|2.131644|2.560432|5.229475|8.513619|9.866988|0.145880|7.868865|9.523775|13.981870|8.132179|7.711494|78.782181|36.858105| |2.479837|2.394190|2.073925|2.772526|5.796198|3.870690|4.607967|0.105666|5.727706|9.748770|0.251540|4.822913|4.581845|4.632590|2.998554|2.437084|4.109139|2.462843|3.049950|7.964199|15.008710|11.187997|0.164813|6.654476|8.368581|7.819493|5.194939|4.980337|49.851336|13.844843|53.358707| |1.963130|1.825525|1.693677|1.974261|3.683933|2.193736|2.233128|0.055449|2.322828|3.298392|0.074641|2.098076|2.135072|2.520513|1.803311|1.577230|2.678277|1.528416|1.729287|2.509983|3.097870|4.236106|0.075258|3.728488|6.016368|5.062122|7.510166|12.650728|47.599150|4.825264|4.916123|36.858105| |1.698999|1.601150|1.501360|1.724206|3.199817|1.909268|1.945812|0.048972|2.048391|2.916718|0.064577|1.883979|1.920518|2.300652|1.645396|1.456402|2.502608|1.430017|1.606582|2.266668|2.756557|3.927477|0.071466|3.540143|6.057617|4.455794|6.684446|7.659098|32.753950|3.916035|4.158053|12.421886|36.858105| |1.639803|1.571493|1.479079|1.713307|3.173671|1.923668|1.949850|0.048972|2.093787|2.954210|0.064354|1.889003|1.893524|2.265815|1.596814|1.418684|2.457731|1.419699|1.598545|2.349683|2.887536|4.291784|0.078663|4.050866|7.260330|4.899936|7.597876|6.757480|29.741317|3.960071|4.213153|7.539125|12.451602|36.858105| |1.684797|1.625667|1.512867|1.793288|3.375965|2.084080|2.150089|0.053676|2.373594|3.408859|0.074061|2.143411|2.143760|2.528672|1.757880|1.547381|2.694343|1.570343|1.793293|2.804944|3.595612|5.622635|0.100800|5.885765|10.705209|7.234420|12.608408|7.595798|33.485201|5.029282|5.142553|6.275126|7.516818|12.431028|36.858105| |4.120721|3.950953|3.042359|4.728998|12.478842|7.925035|13.628035|0.259084|8.132960|9.973841|0.248813|6.048813|5.041266|5.368963|3.514126|2.861248|4.502268|2.663449|3.156593|4.818241|4.467802|4.650523|0.085584|2.970844|4.477752|3.210956|2.755554|2.898406|27.526030|4.084752|7.101473|2.472862|2.109240|2.068979|2.273074|73.516695| |17.563753|8.800092|6.912425|5.489953|8.662022|3.632913|3.233141|0.088848|2.589377|3.207584|0.069500|2.273361|2.153271|2.740619|2.002518|1.839923|2.924685|1.648302|1.755538|2.022713|2.002677|2.420403|0.046354|1.696790|2.741099|1.836752|1.758652|1.905491|15.978349|2.087366|3.000852|1.817885|1.587259|1.525327|1.557329|6.136899|0.500000| |17.571378|8.750522|5.476562|6.817096|12.840931|4.917683|4.444529|0.119496|3.320471|4.072818|0.090104|2.850153|2.668198|3.309786|2.392003|2.137050|3.356379|1.902510|2.067298|2.471410|2.433382|2.861133|0.054221|1.976554|3.140066|2.156087|2.024748|2.201216|19.219858|2.521532|3.717297|2.048536|1.762160|1.693324|1.755323|8.949360|0.302297|0.500000| |17.525005|8.770819|6.808280|6.813781|10.161579|4.301228|3.628570|0.094093|2.906350|3.534486|0.077781|2.402577|2.251553|2.784218|2.003294|1.805368|2.895462|1.646846|1.787044|2.234642|2.266315|2.725807|0.051570|1.925760|3.083082|2.120480|2.036581|2.235560|19.054772|2.438199|3.464182|2.123253|1.818543|1.747831|1.780023|7.001957|0.301824|0.300970|0.500000| |8.900768|17.523901|8.897629|9.007424|13.063884|4.880431|4.036767|0.116836|3.086753|3.614505|0.075485|2.583178|2.324509|2.972527|2.097672|1.941294|3.110134|1.793904|1.909949|2.235873|2.136463|2.567473|0.049784|1.757112|2.840780|1.853663|1.731321|1.825295|15.231132|2.096989|3.112565|1.700376|1.503944|1.478022|1.536858|6.849245|0.212566|0.213310|0.173365|0.500000| |6.808963|8.756437|17.530249|6.871888|8.268629|3.756890|2.998631|0.079941|2.518741|2.979749|0.062941|2.038137|1.868443|2.354185|1.667639|1.539933|2.521155|1.451743|1.554024|1.941333|1.943769|2.403822|0.046370|1.699896|2.777071|1.818693|1.750278|1.864952|15.089305|2.015012|2.853902|1.782103|1.573491|1.549625|1.573053|5.223566|0.169591|0.139100|0.201152|0.173233|0.500000| |5.474022|8.739577|17.546838|6.951183|8.421639|3.820418|3.041326|0.084200|2.543755|2.968674|0.061361|2.069755|1.868268|2.386665|1.676300|1.566530|2.571977|1.491427|1.582553|1.925060|1.879762|2.326072|0.045406|1.621237|2.660941|1.701229|1.615435|1.692106|13.626180|1.873855|2.703776|1.600345|1.431554|1.422637|1.460351|5.058964|0.141048|0.122351|0.139150|0.212856|0.301161|0.500000| |6.902725|8.797495|17.572073|5.528639|7.442830|3.301123|2.779239|0.077073|2.314281|2.789835|0.058636|1.967561|1.821202|2.340054|1.676668|1.569373|2.552212|1.459084|1.540255|1.805130|1.777220|2.194434|0.042607|1.541494|2.526910|1.636424|1.570115|1.667025|13.486063|1.811412|2.590355|1.596032|1.421258|1.392323|1.417475|4.868190|0.207949|0.141084|0.169087|0.212794|0.302116|0.302143|0.500000| |5.487492|8.831963|7.079063|17.522288|16.577162|7.279948|4.771719|0.128269|3.751846|4.048214|0.082618|2.731008|2.351707|2.922753|1.991062|1.820019|2.985972|1.763133|1.915253|2.541169|2.439917|2.945680|0.057210|2.003462|3.233491|2.091506|1.929214|2.001213|16.554712|2.349284|3.502929|1.833681|1.623187|1.629927|1.709950|7.232719|0.123124|0.139371|0.139959|0.214529|0.173199|0.213145|0.143401|0.500000| |6.871930|8.815153|6.854510|17.500581|16.530241|7.256044|4.787016|0.118105|3.780733|4.175979|0.088824|2.716122|2.396295|2.910265|2.005840|1.801402|2.942287|1.720145|1.892305|2.631405|2.636007|3.159620|0.060076|2.189071|3.491405|2.357379|2.199492|2.335642|19.733923|2.695832|3.932335|2.143869|1.854881|1.844658|1.918435|8.020543|0.140435|0.169152|0.203727|0.174615|0.202507|0.168871|0.140181|0.300740|0.500000| |3.887447|4.697320|3.778997|7.130196|16.493558|17.494445|8.816141|0.215875|6.806532|6.107319|0.117944|3.880032|3.064016|3.665408|2.375403|2.118824|3.504237|2.128629|2.390490|3.653581|3.333852|3.880355|0.075486|2.514645|3.978530|2.562576|2.255929|2.281262|19.259295|2.927931|4.647139|2.008620|1.777949|1.811928|1.963569|10.130380|0.089956|0.112883|0.102398|0.127138|0.099565|0.107288|0.088213|0.215415|0.174257|0.500000| |4.309804|4.715502|3.761517|7.203696|16.550430|17.500670|8.854594|0.174758|6.946865|6.539207|0.137754|3.817365|3.149790|3.625481|2.391372|2.082406|3.423070|2.047302|2.337573|3.923627|3.885392|4.406992|0.082344|2.913058|4.489769|3.105313|2.727105|2.820856|24.879220|3.696234|5.810347|2.441250|2.097940|2.123750|2.300708|12.647318|0.096254|0.127190|0.121404|0.117359|0.104914|0.100520|0.087740|0.176828|0.217328|0.299620|0.500000| |2.715886|2.914829|2.461330|3.603490|8.114553|6.403928|8.748020|0.220361|17.614273|12.316689|0.182554|6.996812|4.532352|5.092696|3.007007|2.597346|4.403521|2.813873|3.374872|6.891016|5.027175|5.494612|0.109929|3.206914|4.966998|3.071405|2.535984|2.459420|20.782658|3.515728|6.204262|2.085604|1.873950|1.932953|2.185236|10.362691|0.066302|0.082222|0.072689|0.081349|0.066010|0.068497|0.061337|0.100284|0.095237|0.185584|0.157785|0.500000| |2.930683|3.054162|2.577545|3.882895|8.652142|7.252025|8.833703|0.174439|17.633009|12.493138|0.226862|5.591153|4.179115|4.490195|2.783135|2.358174|3.962548|2.448092|2.941429|7.480846|6.764809|6.850869|0.126525|4.010109|5.915670|4.003224|3.196447|3.113248|27.406787|4.838954|8.972835|2.551072|2.233690|2.312480|2.644717|12.228321|0.070170|0.088691|0.081274|0.081529|0.071103|0.070277|0.063562|0.103509|0.109352|0.181602|0.219877|0.299844|0.500000| |2.787899|2.821538|2.320029|3.183137|7.382030|4.700049|7.402436|0.243426|7.429603|12.323493|0.210088|17.716956|8.942779|9.700764|5.093228|4.048643|6.406406|4.101261|5.208279|5.646110|4.208426|4.515242|0.088533|2.735215|4.243057|2.726524|2.308373|2.309884|20.101043|3.213301|5.651772|1.990834|1.780047|1.774800|1.981181|12.231573|0.069686|0.088904|0.072427|0.081585|0.061077|0.062850|0.059733|0.084108|0.081787|0.119944|0.112848|0.193127|0.147310|0.500000| |2.264761|2.312505|1.976844|2.614749|5.699198|3.736070|5.138603|0.150664|6.541603|12.368432|0.181462|17.630067|8.700651|9.662436|4.638187|3.820066|6.634438|4.624288|6.469876|7.391769|4.731395|5.206203|0.106868|3.007168|4.709123|2.841237|2.354506|2.278383|19.107666|3.221763|5.696733|1.945410|1.774737|1.799898|2.047863|8.298077|0.057300|0.069870|0.060135|0.065969|0.052763|0.054245|0.051041|0.070902|0.068967|0.100707|0.094944|0.194536|0.140037|0.302376|0.500000| |2.147027|2.084697|1.794957|2.284783|4.863049|3.027346|3.945212|0.106857|4.532626|9.493576|0.194015|8.726411|17.447007|12.261523|6.431732|4.441900|7.545613|4.719743|7.429229|6.601754|5.263389|5.668307|0.109767|3.379098|5.164332|3.316950|2.733937|2.675326|22.964216|3.869509|6.822048|2.253181|2.042609|2.020587|2.324601|7.702411|0.054928|0.066973|0.058113|0.058355|0.048643|0.048221|0.046973|0.060058|0.061954|0.077518|0.081385|0.114780|0.111217|0.173662|0.202811|0.500000| |2.575152|2.446051|2.048673|2.649441|5.828455|3.503030|4.783751|0.131595|4.839604|9.406800|0.219796|8.963508|17.580720|12.512685|7.719507|4.849942|7.280179|4.240301|5.746993|5.208207|4.449227|4.714623|0.089038|2.942799|4.490885|3.051653|2.593654|2.647944|23.823163|3.715275|6.470829|2.265022|2.004262|1.946452|2.181777|10.412397|0.065523|0.082986|0.068701|0.068894|0.055031|0.054302|0.053689|0.068028|0.070851|0.086355|0.091920|0.116487|0.114721|0.221290|0.173574|0.303057|0.500000| |1.984709|1.887213|1.638747|1.966638|4.076970|2.364690|2.896089|0.082777|2.935170|4.979128|0.105439|4.549381|6.972823|12.237602|17.450242|8.881894|12.528847|5.851570|7.010317|3.325465|2.981857|3.522227|0.069181|2.302682|3.684322|2.336139|2.077715|2.103420|17.532672|2.637422|4.132632|1.873656|1.716476|1.656083|1.827879|5.748630|0.052391|0.062063|0.052963|0.053753|0.043992|0.043750|0.043906|0.051514|0.052647|0.060942|0.062616|0.076714|0.073345|0.118440|0.113922|0.183585|0.195132|0.500000| |2.348608|2.216848|1.882321|2.286238|4.849805|2.742202|3.437133|0.101503|3.269096|5.367186|0.114963|5.082439|7.208026|12.444961|17.569760|8.895271|10.180175|5.052026|5.711102|3.299968|2.922923|3.371723|0.065643|2.199832|3.493394|2.265839|2.020519|2.077879|17.754366|2.614521|4.153839|1.857478|1.675345|1.613689|1.762691|6.990510|0.061917|0.075157|0.061447|0.064028|0.049919|0.049938|0.050485|0.059246|0.060130|0.069660|0.070828|0.084433|0.079522|0.146967|0.120054|0.157521|0.234195|0.300330|0.500000| |1.842528|1.766344|1.549946|1.793186|3.646329|2.054360|2.425626|0.071826|2.371048|3.713325|0.076501|3.347837|4.176424|7.680854|8.857722|17.625274|16.911984|5.894737|5.052779|2.470731|2.221219|2.699117|0.053852|1.795802|2.936267|1.813670|1.651772|1.677963|13.654062|2.004666|3.059301|1.533654|1.418984|1.372698|1.485671|4.636039|0.049682|0.057001|0.048416|0.051293|0.041132|0.041599|0.042121|0.047460|0.047320|0.053946|0.053570|0.063880|0.059310|0.094364|0.088205|0.105092|0.115975|0.217460|0.210519|0.500000| |1.995410|1.949408|1.692313|1.993225|4.116489|2.326103|2.799011|0.085994|2.709085|4.190073|0.083859|4.001185|4.713441|9.523581|8.872622|17.509902|16.549427|7.311581|5.908186|2.702092|2.343471|2.813363|0.056478|1.838784|2.995767|1.840510|1.656472|1.673898|13.723765|2.045549|3.188872|1.517627|1.398268|1.366434|1.484605|5.192447|0.053423|0.061962|0.051733|0.057443|0.044447|0.045738|0.045741|0.053142|0.051794|0.061612|0.059333|0.074286|0.065998|0.118079|0.106913|0.110715|0.125578|0.173932|0.217414|0.300312|0.500000| |1.584029|1.579546|1.407252|1.663785|3.366333|1.996618|2.360025|0.069673|2.509231|3.982261|0.076099|3.681246|4.176641|7.678032|5.046421|5.891904|16.922133|17.621107|8.854150|2.865696|2.428942|3.046295|0.063650|1.960483|3.265791|1.873355|1.664309|1.624538|12.832778|2.002559|3.108412|1.458912|1.378034|1.374688|1.521659|4.197676|0.041985|0.047911|0.042082|0.045579|0.037561|0.038585|0.037642|0.045267|0.044153|0.054321|0.052264|0.071440|0.062606|0.095893|0.111913|0.113590|0.098286|0.131284|0.110560|0.132317|0.148058|0.500000| |1.784233|1.790905|1.575432|1.882469|3.865594|2.274352|2.736677|0.083719|2.830331|4.415761|0.083501|4.335497|4.710299|9.510789|5.895411|7.304584|16.552602|17.506599|8.869309|2.992837|2.483384|3.034797|0.062693|1.939851|3.193717|1.876983|1.663658|1.640807|13.197892|2.043554|3.221055|1.472188|1.373866|1.367333|1.505658|4.805605|0.047216|0.054401|0.046763|0.052386|0.041612|0.043239|0.042107|0.051240|0.049204|0.061934|0.058235|0.081212|0.068663|0.119822|0.131162|0.116413|0.111017|0.134349|0.132423|0.148042|0.218847|0.300288|0.500000| |1.857052|1.864668|1.632556|2.023522|4.216663|2.599401|3.243447|0.095226|3.671140|6.318177|0.113268|6.603603|7.180548|12.384370|5.695308|5.050673|10.195660|8.907693|17.543611|4.543973|3.473775|4.171543|0.087497|2.539255|4.118962|2.388465|2.043093|1.973997|15.981204|2.606780|4.277773|1.723572|1.605949|1.616265|1.825214|5.659945|0.048214|0.056740|0.049437|0.053450|0.043656|0.044741|0.042990|0.054914|0.053725|0.070367|0.067665|0.105529|0.088234|0.152533|0.228784|0.192797|0.143208|0.142315|0.127348|0.110555|0.132372|0.211426|0.217298|0.500000| |1.765991|1.734675|1.526176|1.854377|3.820208|2.308037|2.824707|0.080666|3.104181|5.405510|0.104802|5.107525|6.985431|12.270700|7.028604|5.869956|12.563061|8.879551|17.437961|3.972870|3.313132|4.028260|0.082784|2.527811|4.103761|2.418538|2.093813|2.035875|16.422152|2.634603|4.211525|1.785827|1.669771|1.658316|1.870922|5.211844|0.046202|0.054095|0.047395|0.049320|0.041089|0.041427|0.040488|0.049685|0.049790|0.061295|0.061277|0.085039|0.077358|0.120463|0.147970|0.217170|0.149203|0.205897|0.142780|0.131622|0.134699|0.217270|0.173873|0.300632|0.500000| |2.066515|2.064759|1.801477|2.345616|4.934244|3.272435|4.155711|0.107166|5.691084|12.324049|0.204593|7.657088|6.816441|6.688063|3.761969|3.046718|5.420025|3.524308|4.855629|17.628666|8.953467|9.239809|0.189069|4.619023|6.877833|4.079895|3.133629|2.897542|24.032173|4.561993|8.624254|2.365584|2.169169|2.233702|2.662798|7.334339|0.052211|0.062988|0.056675|0.057060|0.049286|0.049039|0.046463|0.062897|0.064571|0.086299|0.090452|0.149573|0.147289|0.149725|0.219908|0.236172|0.152273|0.103811|0.097568|0.074320|0.080485|0.091247|0.092195|0.154300|0.136644|0.500000| |2.160882|2.220212|1.944168|2.608601|5.472811|3.851952|4.740484|0.118354|7.583191|12.331219|0.184635|6.364306|4.786995|5.132654|2.999369|2.546618|4.490775|2.903523|3.669913|17.611829|8.820723|9.654388|0.208694|4.686448|7.056257|4.024326|3.089557|2.828635|23.111789|4.398344|8.140075|2.314693|2.120046|2.233463|2.650370|7.531080|0.053947|0.064929|0.059430|0.060974|0.053323|0.053553|0.049432|0.071308|0.072131|0.105310|0.107691|0.218589|0.210093|0.140429|0.191729|0.140288|0.116172|0.080467|0.080545|0.062872|0.069646|0.075951|0.079517|0.117985|0.098436|0.302573|0.500000| |2.045521|1.901431|1.779014|2.058470|3.783562|2.241159|2.231393|0.055253|2.292442|3.177346|0.071531|2.017565|2.023022|2.399942|1.713843|1.508061|2.553754|1.459573|1.641606|2.385155|2.897511|3.929382|0.070442|3.383142|5.496196|4.437214|6.065416|8.940546|42.352966|4.338876|4.578290|17.519914|8.804100|6.580388|5.283475|4.360750|0.052494|0.058652|0.062244|0.048740|0.052539|0.046578|0.046441|0.053019|0.062907|0.057020|0.070019|0.057254|0.070398|0.053749|0.052018|0.058516|0.059642|0.048985|0.049283|0.040713|0.040606|0.038655|0.039325|0.045604|0.046669|0.061778|0.061836|0.500000| |1.986559|1.821493|1.684089|1.943238|3.636783|2.133306|2.189171|0.054733|2.241126|3.213130|0.073332|2.075880|2.147187|2.547091|1.848253|1.613869|2.723965|1.539872|1.736203|2.404014|2.906895|3.884087|0.069478|3.297879|5.305286|4.343577|5.746877|8.898817|45.456478|4.393349|4.654973|17.550477|8.798159|5.505801|4.846431|4.379352|0.051436|0.057904|0.059634|0.047242|0.049069|0.043945|0.044380|0.049818|0.058247|0.053950|0.065201|0.055788|0.067256|0.054981|0.053121|0.062745|0.064022|0.053643|0.053194|0.043881|0.042998|0.040711|0.041101|0.047611|0.049905|0.063599|0.061061|0.303611|0.500000| |1.631123|1.534685|1.452306|1.638155|3.007821|1.776083|1.792614|0.045412|1.864677|2.628259|0.057875|1.717063|1.747690|2.117077|1.523261|1.359892|2.335070|1.329313|1.479406|2.018964|2.397728|3.386514|0.062562|2.962841|5.130835|3.580373|4.897207|5.578259|27.251820|3.252614|3.588480|8.854433|17.564773|8.808083|5.481999|3.440411|0.042598|0.046659|0.048646|0.039996|0.042428|0.038443|0.038357|0.042899|0.048999|0.046115|0.054005|0.047676|0.056133|0.045448|0.045049|0.051187|0.050704|0.044012|0.043188|0.036960|0.036379|0.035628|0.035586|0.041011|0.042559|0.053783|0.052865|0.219655|0.206933|0.500000| |1.625972|1.530294|1.429288|1.639591|3.065952|1.826062|1.887234|0.047814|1.992957|2.886471|0.063904|1.884944|1.950381|2.343830|1.685881|1.490996|2.570546|1.463066|1.644691|2.256374|2.730438|3.902286|0.071338|3.501662|6.030284|4.318442|6.162808|6.689051|30.890555|3.796548|4.086092|8.848691|17.528303|8.850284|6.912577|3.651322|0.042373|0.047120|0.047946|0.040206|0.041325|0.037889|0.037730|0.042913|0.048526|0.047271|0.055124|0.050773|0.059692|0.049203|0.049381|0.058160|0.056458|0.049308|0.047451|0.040472|0.039508|0.039258|0.038804|0.045441|0.047895|0.060892|0.058211|0.174032|0.219702|0.303191|0.500000| |1.692724|1.628903|1.542769|1.784462|3.271851|1.985282|1.978641|0.049495|2.113913|2.923072|0.063470|1.858237|1.837380|2.200382|1.545467|1.377021|2.378915|1.377582|1.546515|2.302914|2.809587|4.134542|0.076020|3.818128|6.784758|4.574155|6.619025|6.200829|28.882326|3.809167|4.107249|6.942105|8.863536|17.517842|8.845015|3.703845|0.043603|0.048194|0.050460|0.042291|0.045212|0.041251|0.040189|0.047228|0.053869|0.052062|0.061486|0.054248|0.065464|0.048849|0.049196|0.053897|0.052507|0.044160|0.043565|0.036950|0.037068|0.036985|0.037081|0.043600|0.044198|0.060038|0.061431|0.196611|0.140056|0.211195|0.173751|0.500000| |1.500328|1.444042|1.367487|1.564927|2.887191|1.742626|1.766218|0.044789|1.895037|2.673894|0.057644|1.733983|1.742213|2.108782|1.490074|1.335182|2.326349|1.342635|1.501017|2.132100|2.562142|3.840704|0.072059|3.552787|6.628006|4.017970|5.553193|4.938147|24.192713|3.301301|3.656571|5.493451|8.821444|17.564271|8.855530|3.304964|0.039003|0.042901|0.044206|0.037901|0.039703|0.036678|0.035903|0.041604|0.046525|0.045969|0.052926|0.049136|0.057590|0.045310|0.046267|0.051656|0.049435|0.042980|0.041638|0.035973|0.035709|0.036311|0.035900|0.042167|0.043349|0.056913|0.056778|0.138078|0.123260|0.214743|0.210870|0.303492|0.500000| 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