Version2.0 2019-11-17T04:15:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 10-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)C1(CC[NH+](CC1)CC[C@@]2(Cc3ccccc3Sc4c2cccc4)C#N)c5ccccc5 C08386177 RHF 6-31G(d) (6D,7F) CCOC(=O)C1(CC[NH+](CC1)CC[C@@]2(Cc3ccccc3Sc4c2cccc4)C#N)c5ccccc5 C01[X(C31H33N2O2S1)] 201 C1 610 CCOC(=O)C1(CC[NH+](CC1)CC[C@]1(C#N)Cc2ccccc2Sc2c1cccc2)c1ccccc1 CCOC(=O)[C@@]1(CC[NH](CC1)CC[C@]1(C#N)Cc2ccccc2Sc2c1cccc2)c1ccccc1 CCOC(=O)[C@@]1(CC[NH](CC[C@@]2(Cc3ccccc3Sc4ccccc24)C#N)CC1)c5ccccc5 InChIKey=RWIPOFPVQOZPQY-SSEXGKCCSA-N InChI=1S/C31H33N2O2S/c1-2-35-29(34)31(25-11-4-3-5-12-25)17-20-33(21-18-31)19-16-30(23-32)22-24-10-6-8-14-27(24)36-28-15-9-7-13-26(28)30/h3-15,33H,2,16-22H2,1H3/t30-/m1/s1 InChI=1/C31H33N2O2S/c1-2-35-29(34)31(25-11-4-3-5-12-25)17-20-33(21-18-31)19-16-30(23-32)22-24-10-6-8-14-27(24)36-28-15-9-7-13-26(28)30/h3-15,33H,2,16-22H2,1H3/t30-/m1/s1 CCOC(=O)C1(CC[NH+](CC1)CC[C@@]2(Cc3ccccc3Sc4c2cccc4)C#N)c5ccccc5 C01[X(C31H33N2O2S1)] 201 C01 610 CCOC(=O)C1(CC[NH+](CC1)CC[C@]1(C#N)Cc2ccccc2Sc2c1cccc2)c1ccccc1 CCOC(=O)[C@@]1(CC[NH](CC1)CC[C@]1(C#N)Cc2ccccc2Sc2c1cccc2)c1ccccc1 CCOC(=O)[C@@]1(CC[NH](CC[C@@]2(Cc3ccccc3Sc4ccccc24)C#N)CC1)c5ccccc5 InChIKey=RWIPOFPVQOZPQY-SSEXGKCCSA-N InChI=1S/C31H33N2O2S/c1-2-35-29(34)31(25-11-4-3-5-12-25)17-20-33(21-18-31)19-16-30(23-32)22-24-10-6-8-14-27(24)36-28-15-9-7-13-26(28)30/h3-15,33H,2,16-22H2,1H3/t30-/m1/s1 InChI=1/C31H33N2O2S/c1-2-35-29(34)31(25-11-4-3-5-12-25)17-20-33(21-18-31)19-16-30(23-32)22-24-10-6-8-14-27(24)36-28-15-9-7-13-26(28)30/h3-15,33H,2,16-22H2,1H3/t30-/m1/s1 3917.7107102047 -1849.0878391 1-A 25335.9756 132 478 610 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.04141 -20.71586 -20.66178 -15.84624 -15.66258 -11.49050 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2119.34 2128.20 2138.34 2141.69 2178.51 2188.42 2191.45 2223.21 2225.57 2233.54 2266.33 2280.74 2292.37 2298.23 2299.98 2322.48 2322.65 2341.92 2344.12 2352.43 2359.61 2361.70 2362.11 2369.53 2373.01 2373.75 2377.02 2399.18 2400.43 2411.67 2533.76 2555.63 2565.07 2578.85 2584.76 2599.92 2860.02 3756.60 4634.35 4640.86 4651.27 4652.38 4668.62 4709.27 4710.46 4719.52 4723.52 4730.52 4735.45 4744.13 4746.76 4788.61 4796.10 4799.42 4810.22 4818.91 4828.66 4846.37 4848.11 4851.18 4863.59 4864.28 4865.02 4882.06 4882.62 4885.71 4895.87 4897.60 4903.45 4907.66 5303.51 0.625439 0.655548 0.656493 0.559693 -1848.462400 -1848.432291 -1848.431347 -1848.528146 3.246654D-04 MUNgauss RevisionA1.9 retrievium 17-Nov-2019 DUDE CCOC(=O)C1(CC[NH+](CC1)CC[C@@]2(Cc3ccccc3Sc4c2cccc4)C#N)c5ccccc5 C08386177 RHF 6-31G(d) (6D,10F) C1 497.226256 |X|Y|Z| 58.497199 41.621883 142.062206 70.195906 29 6 7 16 27 1 1 |36.858105| |12.597828|36.858105| |8.005110|13.233345|73.516695| |5.272455|8.075555|25.795961|36.858105| |4.597811|7.128770|15.312855|16.006658|73.516695| |4.031346|5.114451|14.250612|12.389504|14.082159|36.858105| |3.155064|3.928400|9.250715|7.628331|12.364687|12.370169|36.858105| |2.984599|3.677719|8.185242|6.200904|10.940662|7.435862|12.513220|36.858105| |2.938287|3.438270|7.693151|5.165161|8.336009|6.348938|7.609738|12.658789|53.358707| |2.661682|3.038827|6.750733|4.441369|7.120405|5.818045|7.127373|9.325530|25.693359|0.500000| |3.606192|4.159944|9.959070|6.142715|8.866364|7.428026|6.550287|7.723066|17.278408|0.259150|36.858105| |3.921280|4.530645|12.090764|7.503118|9.545364|12.336446|7.666317|6.556494|10.381030|0.198515|12.496691|36.858105| |2.606155|2.977142|6.201678|3.942775|6.756865|4.311610|4.964194|7.678993|17.249809|0.259255|7.573252|4.936828|36.858105| |2.381393|2.602959|5.339623|3.213750|5.377326|3.538316|3.801634|4.954630|10.298058|0.200344|6.205147|4.293380|12.450535|36.858105| |2.034920|2.200057|4.353868|2.601931|4.484010|2.782806|3.021323|3.807006|6.677571|0.133507|4.141712|3.183224|7.386012|12.194750|36.858105| |2.057673|2.221322|4.272802|2.521402|4.428113|2.577424|2.749302|3.458705|5.679369|0.107020|3.716674|2.874691|6.126545|7.533612|12.228288|36.858105| |1.791198|1.917650|3.620861|2.129658|3.788337|2.161556|2.311131|2.811152|4.355163|0.084215|2.880209|2.349363|4.269267|4.857716|7.325385|12.641571|36.858105| |1.675019|1.762158|3.292509|1.904217|3.366772|1.923653|2.015586|2.377119|3.659954|0.071516|2.515216|2.098360|3.383786|3.909744|5.346026|7.535653|13.745154|36.858105| |1.505870|1.579682|2.924795|1.692052|3.013011|1.703786|1.788926|2.074913|3.109954|0.061277|2.138692|1.829608|2.778506|3.087494|3.990983|5.012873|7.912910|13.733547|36.858105| |1.441152|1.525106|2.819830|1.648429|2.965625|1.659677|1.766899|2.051917|3.009803|0.059438|2.032463|1.754331|2.677224|2.867870|3.667035|4.439275|6.839287|7.934068|13.774266|36.858105| |1.511313|1.620600|3.014617|1.786425|3.238285|1.803898|1.954767|2.310355|3.359847|0.066122|2.208893|1.891729|3.053946|3.183683|4.152238|5.032535|7.887010|6.872125|7.944384|13.735835|36.858105| |1.682182|1.819018|3.421307|2.041151|3.688866|2.070702|2.261416|2.750600|4.086161|0.079549|2.630922|2.193051|3.919896|4.110477|5.755409|7.608747|13.674469|7.960690|6.895273|7.949588|13.760149|36.858105| |1.771628|1.959364|3.726159|2.285855|4.196994|2.336060|2.653736|3.341197|4.785222|0.092627|2.905083|2.417487|4.686605|4.398680|5.657401|6.337661|6.943045|4.724671|4.190305|4.710605|6.918409|10.681367|388.023441| |1.753159|1.929717|3.760581|2.319124|4.159977|2.470789|2.850458|3.570955|5.362974|0.109835|3.132144|2.611255|5.252237|5.289225|7.227983|6.018224|5.840113|4.235560|3.680458|3.906500|5.071884|6.931659|75.624073|36.858105| |1.846530|2.014123|3.984682|2.431938|4.254293|2.642500|2.990840|3.738566|6.120480|0.128953|3.581041|2.909315|6.218140|7.498453|12.282592|7.110996|5.989668|4.448108|3.655520|3.614190|4.314964|5.830522|47.676780|13.607741|36.858105| |1.755564|1.899610|3.793505|2.310828|3.988030|2.581237|2.917587|3.473982|5.681379|0.128525|3.381904|2.864336|5.067792|6.170438|7.621180|4.873699|4.307589|3.558005|3.055816|3.012409|3.433745|4.199071|33.053416|7.961490|13.635372|36.858105| |1.614554|1.750562|3.476616|2.133304|3.718758|2.388809|2.743699|3.165346|4.845036|0.110368|2.901607|2.567465|4.035161|4.398791|5.008725|3.733386|3.505380|2.979937|2.684193|2.733570|3.128624|3.627473|29.634135|6.836612|7.827421|13.797381|36.858105| |1.554949|1.698945|3.335024|2.062861|3.667146|2.268218|2.645226|3.075393|4.462688|0.098146|2.657210|2.364563|3.747313|3.801917|4.375271|3.547434|3.470789|2.909638|2.688380|2.845247|3.372187|3.842407|33.762679|7.864133|6.778211|7.977053|13.770559|36.858105| |1.612194|1.773567|3.450900|2.139947|3.856951|2.301401|2.689809|3.241133|4.647727|0.098006|2.740286|2.381492|4.131126|4.048599|4.901282|4.180231|4.196182|3.344566|3.077590|3.348842|4.218894|4.997577|50.263576|13.660605|7.886638|6.959080|7.991901|13.802068|36.858105| |1.891606|1.995700|3.924278|2.290236|3.895161|2.457792|2.584944|3.071389|5.281156|0.109420|3.549008|2.854483|4.990535|7.871139|12.823001|7.847116|6.141831|5.396321|4.046692|3.533420|3.721334|4.692020|29.690313|5.150852|7.736338|6.725180|4.567923|3.810743|3.973817|36.858105| |1.785562|1.854821|3.624574|2.086106|3.528661|2.236222|2.309853|2.656816|4.467674|0.093555|3.125000|2.601857|3.937676|5.672489|7.273445|5.626013|4.940240|4.862475|3.819140|3.267988|3.292717|3.896192|24.229723|4.056349|5.501216|5.374603|3.976541|3.315311|3.348191|16.791071|53.358707| |3.768009|4.484862|11.275580|7.675093|10.248154|12.342426|7.453612|4.853748|5.902917|0.119191|4.863871|7.496364|3.247464|2.828888|2.318169|2.148510|1.850384|1.674474|1.504258|1.469277|1.582801|1.784389|14.129517|2.108984|2.239659|2.238240|2.119187|2.014448|2.009367|2.109059|2.665387|36.858105| |4.084269|4.462953|10.826632|5.973603|8.090299|7.468550|4.957942|3.751237|4.913866|0.099654|4.267975|6.405474|2.832608|2.575146|2.131113|1.988667|1.723229|1.582592|1.424949|1.381599|1.471206|1.646305|12.753778|1.896711|2.030203|2.037833|1.920729|1.812256|1.801749|1.985095|2.547879|13.660285|36.858105| |3.448921|3.609166|7.820029|4.306973|6.385990|4.972837|3.842796|3.019713|3.947501|0.081307|3.276461|4.426420|2.369132|2.192810|1.863202|1.743860|1.536678|1.423567|1.294651|1.259325|1.334801|1.477148|11.377999|1.691030|1.796274|1.818905|1.738737|1.647564|1.626543|1.757591|2.279001|7.879630|13.774026|36.858105| |2.898795|3.112327|6.504404|3.801648|5.958650|4.384815|3.710616|2.880713|3.657523|0.076078|2.890894|3.734407|2.218508|2.038115|1.758007|1.642935|1.462248|1.351592|1.237667|1.213332|1.290829|1.421366|11.042504|1.643731|1.725901|1.756367|1.705682|1.630915|1.602615|1.651714|2.137957|6.800657|7.932254|13.750084|36.858105| |2.782064|3.123099|6.603958|4.149568|6.683528|4.959671|4.468933|3.293580|4.007722|0.083611|3.052380|3.914611|2.397598|2.153563|1.855718|1.727232|1.535508|1.405745|1.287060|1.269929|1.362538|1.505396|11.882686|1.773318|1.846033|1.876549|1.836892|1.770604|1.740647|1.718475|2.202790|7.880577|6.901707|7.976848|13.783911|36.858105| |3.085552|3.629466|8.140197|5.578341|8.728582|7.435624|6.598508|4.323978|5.035592|0.104076|3.807799|5.095534|2.883441|2.513568|2.120896|1.964931|1.722208|1.558725|1.415269|1.396047|1.509071|1.686285|13.482381|2.015940|2.103826|2.120826|2.056440|1.980816|1.961506|1.930028|2.443589|13.696492|7.978245|6.900259|7.930545|13.737255|36.858105| |17.570938|8.841885|12.814183|4.876694|7.432028|3.924205|3.089974|3.004412|4.184518|0.077034|3.900037|4.097926|2.757049|2.565373|2.174037|2.205824|1.901888|1.786048|1.592888|1.510357|1.576461|1.762688|13.049668|1.819936|1.938368|1.837200|1.671125|1.597446|1.657558|2.034860|2.621307|3.553404|3.853768|3.223261|2.696621|2.588856|2.884075|0.500000| |17.571521|8.923159|10.186443|4.273842|7.082407|3.345090|2.747187|2.639297|3.511750|0.065227|3.056519|3.227884|2.348467|2.157677|1.881593|1.926551|1.699857|1.600477|1.449878|1.390250|1.452078|1.603128|11.935424|1.642272|1.714459|1.624610|1.501153|1.455382|1.514490|1.754921|2.262574|3.165004|3.374080|2.971344|2.573461|2.479738|2.700155|0.301154|0.500000| |17.582409|8.855528|12.830791|4.918837|7.443598|3.993555|3.073177|2.815269|3.775497|0.071264|3.385420|3.867581|2.427459|2.241580|1.917863|1.911045|1.672674|1.568886|1.416431|1.357732|1.421770|1.575848|11.809694|1.663718|1.757006|1.692047|1.566316|1.502954|1.543422|1.799306|2.326927|3.990977|4.615511|3.979052|3.238298|3.003988|3.251754|0.300476|0.301095|0.500000| |8.805147|17.643374|16.505853|7.321467|12.841578|4.764521|3.790715|3.441122|4.228075|0.077542|3.578008|3.971299|2.697012|2.351122|2.018906|2.031646|1.778856|1.635472|1.480189|1.440724|1.534121|1.708629|13.185064|1.823967|1.882158|1.785032|1.666158|1.629756|1.697290|1.832407|2.322517|4.463467|4.378289|3.677383|3.261700|3.302424|3.782845|0.172809|0.211457|0.211329|0.500000| |8.799498|17.629989|16.477353|7.193229|12.813200|4.649170|3.823606|3.804744|4.824922|0.085102|4.198063|4.218987|3.170220|2.730728|2.322666|2.395172|2.060919|1.884653|1.684049|1.626235|1.733087|1.953598|14.976186|2.035082|2.109201|1.956966|1.793325|1.751781|1.852178|2.081251|2.612689|3.876949|3.713803|3.058006|2.711880|2.774826|3.238022|0.210728|0.211507|0.172884|0.302098|0.500000| |2.774769|3.298701|7.533647|5.545004|8.942434|8.844250|17.541175|8.880435|9.298530|0.208103|5.713772|6.860766|4.596170|3.710229|2.976768|2.631519|2.233626|1.956328|1.743589|1.724710|1.905055|2.192367|18.243784|2.851389|3.022912|3.057323|2.927754|2.783377|2.748703|2.586829|3.167042|6.998947|4.800549|3.861071|3.826436|4.689178|6.784087|0.076094|0.067731|0.076510|0.088972|0.088337|0.500000| |3.036076|3.847213|8.546439|7.122188|13.497899|8.771448|17.650863|9.084109|7.619776|0.145428|4.922502|5.541036|4.164626|3.240286|2.692590|2.508180|2.156151|1.887757|1.695800|1.690802|1.874416|2.143268|18.019875|2.658412|2.707029|2.624179|2.519656|2.490012|2.551703|2.313537|2.829954|6.675124|4.509732|3.665930|3.691121|4.626306|6.831590|0.080628|0.074771|0.082138|0.107762|0.104501|0.302806|0.500000| |2.565408|3.085611|6.536871|4.702050|8.681143|5.451108|8.832189|17.628336|12.387857|0.225346|5.633245|4.921558|7.218924|4.747526|3.875424|3.472730|2.884806|2.406962|2.119185|2.129142|2.437652|2.906615|26.299036|4.036785|4.062684|3.770858|3.533161|3.532904|3.755099|3.074916|3.593690|4.049671|3.206049|2.685665|2.629543|3.033151|3.856619|0.071490|0.064291|0.067688|0.081939|0.088965|0.216440|0.216031|0.500000| |3.239929|4.137659|8.906186|6.837406|13.345602|6.668270|8.789253|17.651235|12.397904|0.181945|7.029966|5.760172|7.099975|4.597852|3.646425|3.514825|2.859923|2.417882|2.110334|2.086967|2.349403|2.797096|24.049079|3.399396|3.477858|3.127954|2.837161|2.805039|3.036174|2.933686|3.460201|4.428375|3.533390|2.859096|2.707961|3.049460|3.916380|0.090183|0.080047|0.082641|0.106561|0.124412|0.173378|0.217149|0.301448|0.500000| |3.302385|3.595752|8.129469|4.668415|6.969742|5.450420|4.910693|5.621270|12.347780|0.223888|17.654264|8.844913|7.039366|7.130844|4.524829|3.945184|3.010135|2.662998|2.235981|2.090710|2.244502|2.677000|20.329305|3.137568|3.728931|3.566808|2.977287|2.658861|2.714813|4.042656|4.888555|4.062489|3.784764|3.007607|2.643988|2.729606|3.272907|0.101830|0.078761|0.086914|0.086228|0.100595|0.128204|0.108271|0.126794|0.143869|0.500000| |4.102448|4.879997|11.405433|6.769605|9.998837|6.669304|5.773069|7.054145|12.445920|0.182142|17.603612|8.752364|7.027964|5.563194|3.943176|3.792716|2.935024|2.566449|2.179023|2.066912|2.242605|2.671382|20.829201|3.011988|3.349868|3.060100|2.640934|2.474287|2.609916|3.347846|4.014134|4.437298|3.961071|3.076765|2.716427|2.853101|3.517243|0.125173|0.096189|0.102420|0.112057|0.143891|0.132746|0.129821|0.144343|0.212233|0.301733|0.500000| |4.572737|4.981188|13.574000|6.899893|8.678818|8.723683|5.532999|4.911875|7.621445|0.145839|9.048210|17.661004|4.128808|3.791136|2.894424|2.673817|2.207787|2.006929|1.755123|1.670366|1.779330|2.042928|15.649928|2.341284|2.603466|2.558842|2.294850|2.116413|2.134484|2.668667|3.373728|6.736324|6.916881|4.694093|3.739410|3.708626|4.557044|0.136934|0.101035|0.127640|0.117076|0.124000|0.139923|0.123201|0.108241|0.128958|0.217139|0.214303|0.500000| |3.286265|3.652495|8.940799|5.497509|7.634193|8.851337|6.888281|5.742897|9.348540|0.209658|8.868261|17.537627|4.582245|4.199550|3.144062|2.749731|2.271737|2.037364|1.784290|1.713365|1.844747|2.128298|16.655522|2.603467|2.938017|2.996754|2.709278|2.449830|2.409985|2.877015|3.604246|7.039761|6.174813|4.492100|3.852547|4.032749|5.124119|0.094901|0.077111|0.092206|0.092096|0.094731|0.202314|0.140208|0.129105|0.132958|0.215531|0.172846|0.304276|0.500000| |2.341690|2.682077|5.485345|3.547838|6.291412|3.886243|4.766114|7.391236|12.470874|0.222948|5.596394|4.163078|17.656358|8.807778|7.073950|5.790960|4.329518|3.347089|2.805176|2.782047|3.272874|4.240758|40.016603|6.674582|7.287758|5.690781|4.660413|4.507417|5.169154|4.679674|5.027789|3.026134|2.610144|2.224068|2.125701|2.328898|2.785989|0.067668|0.059335|0.061047|0.069069|0.079091|0.125975|0.115468|0.232679|0.184189|0.143384|0.145506|0.097178|0.110829|0.500000| |2.795659|3.233110|6.564689|4.126155|7.257664|4.178772|4.617614|7.013243|12.450291|0.182352|7.044304|4.625124|17.644132|8.713576|6.294537|6.347480|4.386922|3.476939|2.844244|2.731644|3.107821|3.993631|33.351541|4.652979|5.114016|4.102516|3.382538|3.249556|3.672735|4.437788|4.880598|3.130545|2.755702|2.303349|2.146838|2.307076|2.763701|0.082518|0.070378|0.070810|0.080392|0.098839|0.113291|0.111676|0.175346|0.214259|0.176052|0.216015|0.111573|0.113614|0.302248|0.500000| |2.551486|2.737997|5.585807|3.244510|5.341296|3.482982|3.533867|4.411280|8.843131|0.164964|6.467006|4.370434|8.804179|17.586347|8.808004|7.102670|4.600861|3.906240|3.050318|2.758773|2.970566|3.742957|26.868629|4.202708|5.490763|4.730758|3.576259|3.145668|3.332604|7.300385|7.770644|2.794845|2.606272|2.210045|2.022387|2.103596|2.437634|0.077994|0.064000|0.066231|0.067530|0.080040|0.094159|0.084046|0.112480|0.118453|0.228901|0.168610|0.111965|0.115695|0.173917|0.217821|0.500000| |2.289826|2.482362|5.168039|3.114151|5.123610|3.583757|3.855684|4.756448|9.950980|0.228669|6.038044|4.461046|8.864306|17.564299|8.810054|5.507586|4.023415|3.386351|2.765960|2.590226|2.843614|3.531723|26.972875|4.826092|6.968722|6.932975|4.860470|3.946800|3.946030|7.324262|7.750767|2.925664|2.670606|2.282439|2.124029|2.241768|2.607515|0.068174|0.057358|0.060868|0.062771|0.070818|0.109245|0.089903|0.127693|0.116396|0.200032|0.138974|0.108078|0.128774|0.201768|0.173993|0.303530|0.500000| |2.197668|2.418442|4.636112|2.774242|4.955603|2.783988|3.008484|3.921726|6.260395|0.112890|3.995153|3.041060|7.109579|7.125075|8.792651|17.622090|9.011546|5.817437|4.303926|4.038207|4.753930|7.103731|50.348876|5.928433|6.285381|4.388873|3.511600|3.450270|4.165415|5.676970|5.923716|2.278993|2.082744|1.813200|1.710988|1.812377|2.082410|0.065057|0.057158|0.056155|0.061392|0.073556|0.078279|0.076721|0.109413|0.114496|0.112794|0.117012|0.077788|0.079139|0.188303|0.230569|0.183322|0.142690|0.500000| |2.149592|2.283710|4.368875|2.519559|4.367009|2.550404|2.635632|3.236615|5.382894|0.100854|3.765830|2.900782|5.442060|6.989725|8.920796|17.577903|8.949141|7.271196|4.771530|3.995143|4.210090|5.646407|33.384734|4.523216|5.375312|4.128796|3.226909|3.014095|3.404429|7.567103|7.998095|2.133112|2.004639|1.755021|1.636718|1.702177|1.927722|0.064955|0.055904|0.055224|0.057384|0.068474|0.069748|0.066503|0.087514|0.092164|0.114565|0.108524|0.076592|0.076480|0.133581|0.161592|0.217620|0.144954|0.304044|0.500000| |1.723269|1.792722|3.350120|1.913636|3.348111|1.932720|1.992280|2.326793|3.637633|0.071100|2.568156|2.138753|3.309985|3.949023|5.157352|6.960785|8.921555|17.717273|8.923758|5.649059|4.951568|5.651978|27.765918|3.680718|4.054034|3.365811|2.792839|2.659667|2.964177|5.666810|7.340559|1.685324|1.607768|1.444679|1.362130|1.406637|1.556326|0.051507|0.045681|0.044832|0.045915|0.053119|0.053699|0.051501|0.064403|0.065675|0.076919|0.072867|0.057439|0.057649|0.088142|0.094557|0.114751|0.095463|0.147642|0.220448|0.500000| |1.434054|1.490234|2.745331|1.575259|2.795335|1.583244|1.645861|1.881622|2.813125|0.055647|1.966258|1.702012|2.455555|2.732826|3.396123|4.087750|5.640721|8.925016|17.729600|8.922239|5.648024|4.964531|24.101624|3.075269|3.104606|2.693010|2.394395|2.376343|2.650303|3.572390|4.788843|1.410268|1.346391|1.229540|1.174217|1.214513|1.327102|0.042193|0.038498|0.037563|0.038822|0.043969|0.044645|0.043406|0.053019|0.053122|0.057338|0.055641|0.045739|0.046199|0.068148|0.069755|0.076248|0.069112|0.099088|0.113324|0.215809|0.500000| |1.338310|1.411088|2.595441|1.513970|2.729013|1.521607|1.615746|1.851510|2.684188|0.053249|1.824610|1.597631|2.333869|2.472481|3.052651|3.550448|4.935462|5.642497|8.915623|17.730040|8.922191|5.653838|27.710614|3.316204|3.060109|2.640785|2.457808|2.576649|2.973484|2.984867|3.843006|1.360015|1.283031|1.177009|1.137921|1.189257|1.299296|0.038814|0.036018|0.035131|0.037219|0.041664|0.043923|0.043217|0.053386|0.052274|0.051952|0.051495|0.042413|0.043449|0.067395|0.066013|0.066346|0.063038|0.091763|0.090877|0.124198|0.214766|0.500000| |1.442517|1.552840|2.881389|1.717525|3.136506|1.733797|1.894196|2.222657|3.163085|0.062522|2.066436|1.794032|2.816630|2.855396|3.578950|4.108905|5.627235|4.953404|5.646916|8.897280|17.740163|8.929267|47.000321|4.796121|3.891549|3.193346|3.028263|3.386150|4.288083|3.194131|3.885742|1.531168|1.418178|1.292776|1.258541|1.333872|1.473413|0.041499|0.038594|0.037797|0.041142|0.046034|0.051408|0.050957|0.065903|0.062708|0.057691|0.058149|0.046750|0.048705|0.085298|0.079268|0.073460|0.072004|0.112253|0.096860|0.107532|0.124102|0.214727|0.500000| |1.782614|1.907390|3.832906|2.303939|3.910066|2.599798|2.860926|3.321360|5.618925|0.129823|3.489795|2.970148|4.799095|6.380222|7.203871|4.568346|3.945022|3.404982|2.901262|2.778802|3.053454|3.659177|27.226111|5.651623|8.898164|17.719098|9.014985|5.683443|4.997558|7.593727|8.705779|2.270436|2.095197|1.869595|1.789814|1.892068|2.127889|0.052180|0.045632|0.047952|0.049516|0.054179|0.083867|0.070574|0.096675|0.082807|0.106005|0.086191|0.074372|0.087775|0.138219|0.108125|0.140788|0.222320|0.111886|0.113726|0.092777|0.072418|0.068144|0.078144|0.500000| |1.546947|1.665411|3.312434|2.021144|3.497373|2.284237|2.593352|2.887009|4.388590|0.101578|2.703131|2.458920|3.478513|3.803991|4.116781|3.164507|2.982113|2.623456|2.393800|2.418453|2.695685|3.037140|23.996680|4.934452|5.605213|8.945924|17.729470|8.896531|5.662849|3.990546|4.972063|2.067289|1.888235|1.725976|1.700137|1.824116|2.019738|0.044403|0.039939|0.042004|0.044178|0.046978|0.078158|0.066223|0.088143|0.071557|0.077473|0.067822|0.061436|0.073299|0.107511|0.081979|0.088879|0.120217|0.082764|0.078507|0.069484|0.060416|0.061343|0.072824|0.218426|0.500000| |1.456557|1.588360|3.101974|1.917674|3.422878|2.104758|2.450346|2.768853|3.907277|0.085842|2.372299|2.162231|3.160353|3.155417|3.509535|2.965725|2.943674|2.538056|2.398434|2.559852|2.985743|3.268159|28.087524|5.617004|4.903688|5.656243|8.893965|17.730323|8.936816|3.156565|3.853960|1.902326|1.714668|1.575556|1.574373|1.713076|1.897111|0.041330|0.038003|0.039285|0.042648|0.045292|0.072112|0.065026|0.088201|0.070408|0.065512|0.061593|0.054055|0.062438|0.103256|0.077701|0.074605|0.091310|0.080924|0.071635|0.064848|0.059728|0.065761|0.085153|0.124694|0.213301|0.500000| |1.541694|1.699365|3.269335|2.028872|3.705077|2.149895|2.510525|2.986963|4.127492|0.085563|2.476864|2.183106|3.582722|3.409276|4.004615|3.671297|3.814288|3.100178|2.944360|3.309320|4.241794|4.749648|49.254933|8.951276|5.636183|4.999188|5.673338|8.950265|17.744598|3.324517|3.905278|1.892723|1.697388|1.541972|1.528550|1.664012|1.865171|0.043773|0.040486|0.040959|0.045499|0.049443|0.070636|0.067510|0.096319|0.079215|0.067406|0.066522|0.054704|0.060877|0.122289|0.091838|0.080461|0.091226|0.104214|0.084486|0.075777|0.070714|0.083206|0.126921|0.108330|0.124365|0.215856|0.500000| |4.761419|4.929983|12.346476|5.978490|7.854615|6.919609|4.513358|3.647323|4.998501|0.099777|4.627582|7.000895|2.909164|2.687425|2.202783|2.067087|1.778131|1.640936|1.469366|1.413459|1.497155|1.679561|12.855349|1.903768|2.057390|2.052135|1.907580|1.788731|1.787014|2.066832|2.662774|8.862592|17.760354|9.008875|5.668056|4.970999|5.653044|0.128499|0.105210|0.152802|0.126865|0.111895|0.118738|0.111462|0.085577|0.097197|0.116298|0.120815|0.248303|0.177378|0.072942|0.079379|0.077240|0.076974|0.059928|0.058628|0.046668|0.038650|0.036380|0.039844|0.059072|0.051915|0.046707|0.046597|0.500000| |3.392639|3.368899|7.010477|3.688571|5.549714|4.071234|3.221541|2.647491|3.540042|0.072801|2.966408|3.861285|2.173262|2.048430|1.755173|1.650982|1.461941|1.365837|1.244962|1.206506|1.270432|1.399415|10.656584|1.579049|1.681576|1.703791|1.625074|1.536178|1.516149|1.675599|2.191624|5.627166|8.948430|17.725372|8.910590|5.660845|4.966834|0.088796|0.081952|0.111590|0.094408|0.079402|0.089647|0.085212|0.065914|0.070409|0.077550|0.078161|0.117976|0.108754|0.056494|0.058974|0.057935|0.059156|0.047384|0.046483|0.038683|0.033000|0.031394|0.034121|0.048906|0.044933|0.040836|0.039949|0.218523|0.500000| |2.589241|2.718750|5.477871|3.150964|5.066428|3.515407|3.085293|2.485196|3.184675|0.066392|2.493805|3.103209|1.975693|1.836255|1.605991|1.505979|1.352724|1.257887|1.158466|1.136979|1.205008|1.317831|10.178844|1.512261|1.582274|1.615139|1.578114|1.512662|1.482323|1.520900|1.980883|4.915281|5.642660|8.903812|17.729647|8.915048|5.640602|0.067095|0.065083|0.080397|0.079419|0.066565|0.088678|0.085960|0.064035|0.065364|0.064388|0.065565|0.086995|0.089225|0.052898|0.053211|0.050664|0.053137|0.043370|0.041705|0.035219|0.030638|0.029737|0.032706|0.045736|0.043905|0.040797|0.039421|0.124656|0.214406|0.500000| |2.444596|2.731829|5.584710|3.516232|5.908780|4.059867|3.927617|2.995902|3.619351|0.075829|2.683586|3.290127|2.213382|1.992637|1.744402|1.626344|1.460408|1.338312|1.233179|1.223464|1.314150|1.443278|11.427932|1.704059|1.756512|1.791006|1.775612|1.726498|1.691767|1.616646|2.074825|5.629778|4.967735|5.659239|8.920298|17.727051|8.939237|0.063352|0.061671|0.072466|0.080802|0.068753|0.115906|0.116521|0.078852|0.077288|0.067286|0.070122|0.086083|0.094460|0.060628|0.059133|0.053691|0.057555|0.047360|0.044283|0.037043|0.032341|0.031941|0.035927|0.049855|0.049153|0.046829|0.045221|0.107844|0.124224|0.214547|0.500000| 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