Version2.1 2021-01-08T16:18:55Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 18-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)Cn1c(c(c(=O)[nH]c1=O)N(CC(C)C)C(=O)C[NH+](C)Cc2ccc(c(c2)Cl)Cl)N C03355418 RHF 6-31G(d) (6D,7F) CC(C)Cn1c(c(c(=O)[nH]c1=O)N(CC(C)C)C(=O)C[NH+](C)Cc2ccc(c(c2)Cl)Cl)N C01[X(C22H32Cl2N5O3)] 186 C1 552 CC(CN(c1c(=O)[nH]c(=O)n(c1N)CC(C)C)C(=O)C[NH+](Cc1ccc(c(c1)Cl)Cl)C)C CC(CN(c1c(=O)[nH]c(=O)n(c1N)CC(C)C)C(=O)C[NH+](Cc1ccc(c(c1)Cl)Cl)C)C CC(C)CN1C(=O)NC(=O)C(=C1N)N(CC(C)C)C(=O)C[NH+](C)Cc2ccc(Cl)c(Cl)c2 InChIKey=JHYAOCDCLPIKPY-UHFFFAOYSA-O InChI=1S/C22H31Cl2N5O3/c1-13(2)9-28(19-20(25)29(10-14(3)4)22(32)26-21(19)31)18(30)12-27(5)11-15-6-7-16(23)17(24)8-15/h6-8,13-14H,9-12,25H2,1-5H3,(H,26,31,32)/p+1 InChI=1/C22H31Cl2N5O3/c1-13(2)9-28(19-20(25)29(10-14(3)4)22(32)26-21(19)31)18(30)12-27(5)11-15-6-7-16(23)17(24)8-15/h6-8,13-14H,9-12,25H2,1-5H3,(H,26,31,32)/p+1/fC22H32Cl2N5O3/h26-27H/q+1 CC(C)Cn1c(c(c(=O)[nH]c1=O)N(CC(C)C)C(=O)C[NH+](C)Cc2ccc(c(c2)Cl)Cl)N C01[X(C22H32Cl2N5O3)] 186 C01 552 CC(CN(c1c(=O)[nH]c(=O)n(c1N)CC(C)C)C(=O)C[NH+](Cc1ccc(c(c1)Cl)Cl)C)C CC(CN([C]1[C](=O)NC(=O)N([C]1[NH2])CC(C)C)C(=O)C[NH](C[C]1[CH][CH][C]([C]([CH]1)Cl)Cl)C)C CC(C)CN1[C](N)[C](N(CC(C)C)C(=O)C[NH](C)C[C]2[CH][CH][C](Cl)[C](Cl)[CH]2)C(=O)NC1=O InChIKey=IHBJOYRXDJOZGO-UHFFFAOYSA-N InChI=1S/C22H32Cl2N5O3/c1-13(2)9-28(19-20(25)29(10-14(3)4)22(32)26-21(19)31)18(30)12-27(5)11-15-6-7-16(23)17(24)8-15/h6-8,13-14,27H,9-12,25H2,1-5H3,(H,26,31,32) InChI=1/C22H32Cl2N5O3/c1-13(2)9-28(19-20(25)29(10-14(3)4)22(32)26-21(19)31)18(30)12-27(5)11-15-6-7-16(23)17(24)8-15/h6-8,13-14,27H,9-12,25H2,1-5H3,(H,26,31,32)/f/h26H 3759.8207122031 -2267.3948169 1-A 20439.6430 128 424 552 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|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|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| 12.2309 13.6761 26.1981 28.7454 47.0292 51.3238 58.8213 63.3270 65.8946 69.1510 85.1439 89.0172 105.9729 119.9985 144.2796 156.3599 178.8442 186.9366 192.9663 201.3684 214.1211 226.0605 229.9543 243.4645 247.4449 255.4732 266.6356 296.4930 298.7888 301.6812 317.5167 322.5022 336.5826 342.3113 373.9360 379.6661 409.4346 415.1443 419.8824 430.1818 445.7663 450.1362 458.7924 467.0154 480.1165 494.4873 501.7499 506.1490 508.2684 521.3013 542.7144 577.6020 598.5832 605.8860 644.1839 667.8877 704.3521 717.5864 729.2757 739.2117 767.4086 769.3066 790.7943 801.8771 828.0627 849.6278 862.2489 875.4156 881.7540 888.7402 918.1247 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3291.0581 3291.3665 3315.5158 3347.4195 3348.1317 3355.1192 3363.9052 3371.2282 3377.1912 3387.7479 3412.4129 3629.7725 3844.5847 3851.0008 3959.2561 9.1053 5.9251 7.2166 4.7317 3.7703 3.6833 3.1295 4.5055 5.0314 4.9702 4.7072 3.7612 4.5687 5.2103 8.5999 5.0125 3.6955 4.4706 5.6096 5.2944 7.2873 5.0222 4.5796 1.0807 1.0462 1.3653 2.1266 1.3040 2.9933 1.7620 1.6635 2.5847 3.0695 3.6681 4.3549 1.9089 3.5636 2.9743 3.2509 2.1692 2.5281 2.4662 4.4039 3.0187 3.5286 4.0161 3.5803 3.3808 3.7081 2.0239 5.3239 2.3138 3.4142 2.1090 4.0555 4.1594 1.2981 5.6683 4.9869 6.1161 4.6211 4.5974 5.4575 4.3166 5.1915 7.9351 5.3083 3.2404 3.6851 3.1482 2.4939 1.8516 1.7357 2.1485 2.2260 1.6432 1.3411 1.3331 1.9338 1.7608 2.0311 1.4724 1.5025 1.5249 1.9874 2.0409 1.3561 5.4698 2.6872 2.9248 2.4750 3.3064 2.0878 2.0436 1.6742 2.3309 2.6011 2.0203 1.9035 1.9869 2.0894 1.9020 2.0884 1.7532 2.4668 2.5662 1.7024 1.9916 2.6984 1.4673 1.2985 1.4333 1.4247 1.2448 1.4281 1.3570 1.4211 1.5047 1.6951 1.5263 1.4173 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2025.97 2068.95 2080.05 2084.18 2116.68 2141.01 2159.23 2177.17 2182.86 2216.82 2237.82 2242.57 2243.33 2245.97 2248.24 2261.44 2265.47 2274.32 2280.14 2300.71 2313.01 2328.43 2350.00 2350.19 2352.35 2356.89 2359.22 2360.70 2372.32 2374.04 2374.84 2378.62 2379.60 2384.62 2386.48 2387.87 2398.02 2401.13 2527.48 2557.17 2587.73 2659.09 2731.73 2772.39 2872.56 4576.10 4599.30 4605.50 4608.93 4616.49 4648.03 4662.45 4682.04 4693.65 4694.24 4704.49 4704.95 4717.12 4718.53 4719.56 4726.75 4730.16 4735.10 4735.54 4770.29 4816.19 4817.21 4827.27 4839.91 4850.45 4859.02 4874.21 4909.70 5222.43 5531.50 5540.73 5696.49 0.578158 0.609614 0.610558 0.512137 -2266.816659 -2266.785203 -2266.784259 -2266.882680 3.301057D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE CC(C)Cn1c(c(c(=O)[nH]c1=O)N(CC(C)C)C(=O)C[NH+](C)Cc2ccc(c(c2)Cl)Cl)N C03355418 RHF 6-31G(d) (6D,10F) C1 484.188221 |X|Y|Z| 115.352995 76.659241 35.448311 67.930213 17 6 7 13 4 |36.858105| |12.435113|36.858105| |7.552437|12.445013|36.858105| |7.648384|12.419869|7.432854|36.858105| |4.956282|7.507251|6.102659|12.846597|53.358707| |3.948196|5.433726|5.332253|7.569166|18.895571|36.858105| |3.123459|4.042911|4.030756|5.070314|10.905969|13.960585|36.858105| |2.897579|3.692301|3.530527|4.452266|9.255486|7.826936|13.291325|36.858105| |2.455413|3.011277|2.933091|3.472036|6.465756|5.359188|8.139010|15.742922|73.516695| |3.282174|4.266575|3.798995|5.191326|11.077914|7.046124|8.077008|13.888295|15.051575|53.358707| |2.977732|3.719619|3.306271|4.297073|8.027014|5.145596|5.824394|9.342192|13.719257|25.955980|0.500000| |4.256876|5.918419|4.738046|7.859581|18.632195|7.909434|6.828751|7.779209|9.588741|18.943880|0.262953|36.858105| |4.541018|5.963737|4.426847|7.127563|11.462204|5.443211|4.786667|5.412172|7.544834|11.581618|0.217710|16.000435|73.516695| |2.626446|3.233601|3.368450|3.831011|6.990194|7.745374|13.323714|7.859655|12.306353|7.108663|0.118842|4.516208|6.262368|53.358707| |2.342219|2.765565|2.796609|3.315513|5.671568|5.618152|7.735273|5.906156|10.146265|5.857139|0.102782|3.781492|5.476085|17.523966|36.858105| |2.116322|2.428736|2.509358|2.826040|4.517667|4.274250|5.052309|4.043352|7.061031|4.387203|0.079356|2.973447|4.481032|10.089823|12.395584|36.858105| |2.272864|2.590191|2.738508|2.999417|4.617557|4.416939|4.679481|3.585894|5.961114|4.073408|0.073012|2.900991|4.404021|8.492303|7.451272|12.448831|36.858105| |1.916250|2.144741|2.164833|2.496335|3.872053|3.440444|3.909527|3.377195|6.005850|3.833760|0.071124|2.617875|4.049949|6.717554|7.662575|12.421976|7.549091|36.858105| |2.403324|2.939406|3.163197|3.275067|5.736893|5.672830|8.187479|6.531454|11.698045|6.209283|0.109007|3.891472|5.591350|19.131454|7.652748|5.871979|5.059660|4.113367|36.858105| |2.517915|3.133879|3.483844|3.348353|5.831297|5.497291|7.104567|6.106117|10.561932|6.246865|0.110461|3.988011|5.776029|11.474314|5.279175|4.358333|4.087107|3.283679|15.842094|73.516695| |2.014993|2.376927|2.532559|2.604315|4.320639|3.949983|5.145132|4.675665|9.278232|4.792288|0.088889|3.028581|4.550772|10.352166|6.510638|5.887183|4.666194|4.282865|12.416560|14.556344|36.858105| |1.888003|2.216991|2.371881|2.357251|3.853463|3.340234|4.163079|4.119004|8.458161|4.434099|0.085009|2.789379|4.285154|7.076459|4.429503|4.033612|3.448305|3.238512|7.854344|13.206956|12.791501|53.358707| |2.000933|2.374843|2.590750|2.483712|4.065145|3.521260|4.298698|4.191781|8.243926|4.582946|0.087113|2.919503|4.474637|7.029301|4.118366|3.726425|3.351920|2.968483|8.136892|16.917142|9.531811|25.599482|0.500000| |1.667159|1.915461|2.053959|2.012348|3.181397|2.696471|3.187755|3.124592|6.229160|3.535848|0.068772|2.293167|3.608126|5.264979|3.550850|3.500679|3.064759|2.937961|5.118604|8.756360|7.692852|17.433224|0.257833|36.858105| |1.848466|2.168552|2.257905|2.313703|3.817108|3.188745|4.031872|4.425314|10.005724|4.791354|0.095257|2.893613|4.481304|6.283636|4.065741|3.499099|2.951694|2.966733|6.130557|10.535999|7.655267|17.034982|0.258245|7.598810|36.858105| |1.770587|2.064295|2.158228|2.143171|3.463448|2.787117|3.344049|3.717762|7.970299|4.322768|0.088299|2.666425|4.238006|4.876191|3.137561|2.771252|2.450001|2.407960|4.526048|8.649376|5.019874|10.352308|0.205885|6.114598|12.646992|36.858105| |1.571646|1.798499|1.869780|1.856795|2.930052|2.321820|2.707805|2.970969|6.216840|3.571673|0.073910|2.254712|3.660143|3.933868|2.642538|2.407313|2.141291|2.155152|3.475083|6.446613|3.943557|7.465747|0.143559|5.350315|7.544036|13.725305|36.858105| |1.501426|1.704434|1.773139|1.731924|2.689968|2.090591|2.372814|2.595672|5.260133|3.230549|0.067496|2.079112|3.434476|3.360871|2.253870|2.070755|1.884281|1.871643|2.896507|5.496112|3.141347|5.574818|0.113599|4.075288|5.023867|7.932620|13.787311|36.858105| |1.586519|1.809185|1.891887|1.810127|2.803786|2.151195|2.407179|2.642305|5.237480|3.357558|0.070379|2.179124|3.623735|3.328508|2.183728|1.990455|1.842251|1.785093|2.861154|5.625447|2.957934|5.129520|0.110457|3.589183|4.441843|6.845842|7.930439|13.743884|36.858105| |1.792825|2.081700|2.193498|2.073309|3.261879|2.506169|2.822444|3.128940|6.168246|3.961841|0.082552|2.545939|4.185575|3.843341|2.438884|2.181199|2.027372|1.920440|3.367463|6.917147|3.337693|5.828756|0.132348|3.790819|5.039763|7.906750|6.868935|7.937273|13.699864|36.858105| |1.915928|2.260313|2.384196|2.298586|3.720847|2.937890|3.446022|3.867329|7.916492|4.652783|0.095333|2.892523|4.617364|4.781230|2.957400|2.586838|2.358887|2.231559|4.395716|9.183508|4.357510|8.118973|0.188598|4.752166|7.625835|13.724543|7.953762|6.896209|7.937713|13.760715|36.858105| |1.919959|2.231490|2.368698|2.153711|3.328739|2.484963|2.690656|2.951631|5.520324|3.919542|0.081764|2.607486|4.376658|3.533075|2.220335|1.989269|1.897158|1.754823|2.996570|6.290807|2.820906|4.580937|0.105980|2.989309|3.686449|4.784075|4.233505|4.753817|6.980380|11.030602|7.110848|448.794386| |1.458526|1.636777|1.706897|1.615858|2.447859|1.847033|2.013615|2.184341|4.214986|2.853813|0.060093|1.899895|3.223600|2.751140|1.829689|1.690372|1.588799|1.537396|2.296321|4.475633|2.343148|3.852846|0.082689|2.770358|3.168246|4.227145|4.792936|7.106609|11.047610|6.989098|4.758515|47.673309|448.794386| |3.961726|5.157998|5.544920|6.727280|11.101515|14.097312|8.049830|5.178267|7.203669|6.395296|0.104731|5.257608|7.366688|9.094421|5.239383|4.467592|5.199832|3.536319|5.098083|8.711359|3.724605|4.226713|0.091057|2.591361|2.845439|2.501263|2.121342|1.920967|1.967937|2.260068|2.608166|18.031933|13.723992|53.358707| |17.572730|8.797473|6.943987|5.529884|5.546744|3.383457|2.773288|2.609149|4.006147|3.984694|0.075129|3.651908|6.961840|3.239485|2.119921|1.935188|2.072467|1.754361|2.227984|4.201005|1.890069|2.444491|0.053127|1.598835|1.757973|1.705817|1.522757|1.467707|1.561144|1.761231|1.858470|15.358214|11.634852|4.629874|0.500000| |17.561188|8.754542|5.484287|6.987404|6.349123|3.645492|2.957071|2.815961|4.267170|4.434277|0.083541|4.251802|8.528080|3.374091|2.251538|2.023540|2.141518|1.860194|2.255523|4.151916|1.911293|2.441091|0.052336|1.586563|1.778051|1.703457|1.520280|1.453813|1.531414|1.720071|1.833297|14.719846|11.336933|4.826237|0.302191|0.500000| |17.520770|8.745319|6.788407|6.894917|6.189349|3.838308|3.020249|2.729584|4.138365|4.077061|0.075063|3.766653|6.855573|3.534742|2.347092|2.157924|2.364110|1.960043|2.356225|4.333564|1.987719|2.508317|0.054024|1.638637|1.784077|1.695397|1.510037|1.437207|1.507657|1.692670|1.815090|14.382194|11.118895|5.556314|0.302003|0.301058|0.500000| |8.925872|17.576393|8.916687|8.977326|9.531350|4.946946|3.918277|3.798968|5.540079|6.282813|0.114656|6.524470|12.815280|4.223767|2.644450|2.295278|2.388369|2.036643|2.878363|5.532968|2.339928|3.026054|0.066328|1.913042|2.215211|2.138889|1.861118|1.775785|1.903318|2.205340|2.375497|19.302160|13.860076|5.966373|0.212993|0.214298|0.173471|0.500000| |6.869250|8.739318|17.489361|6.643312|7.285813|5.071138|3.818759|3.235852|4.838997|4.576087|0.081415|4.064057|6.679153|4.513702|2.804165|2.581638|2.908951|2.225952|3.076295|5.886156|2.491023|3.126578|0.069197|2.012652|2.151675|2.035316|1.775533|1.677034|1.770987|2.029123|2.210472|17.294792|12.844802|8.057669|0.172357|0.139651|0.202207|0.173263|0.500000| |5.469537|8.708006|17.542858|6.725655|9.147101|6.294687|4.774965|4.099982|5.973156|5.849101|0.101728|5.175439|8.090059|5.349648|3.114465|2.747949|2.970175|2.316319|3.761504|7.648962|2.908213|3.712197|0.084205|2.315950|2.574271|2.452490|2.087229|1.965590|2.106225|2.484790|2.744388|21.514986|15.023285|8.533496|0.141080|0.122218|0.138950|0.211189|0.299457|0.500000| |6.892623|8.817888|17.573860|5.451803|6.349489|4.151574|3.363405|3.057940|4.653880|4.486462|0.082260|3.966596|6.872933|3.944499|2.443137|2.223400|2.406115|1.939854|2.801640|5.544720|2.303249|3.000074|0.067123|1.935453|2.106933|2.052991|1.796116|1.725370|1.857873|2.147871|2.288281|19.031580|13.644668|5.789964|0.208271|0.141261|0.167540|0.215047|0.303314|0.303279|0.500000| |6.847971|8.745462|6.731939|17.633081|12.419530|7.295292|4.837995|4.015662|5.699095|5.916774|0.101177|5.813543|9.226790|5.242973|3.418001|2.992094|3.291788|2.644893|3.230848|5.744550|2.592531|3.138028|0.067066|1.987915|2.222965|2.038116|1.775959|1.650088|1.709775|1.940458|2.154907|15.991476|12.264215|10.679887|0.139914|0.169430|0.202399|0.174187|0.195384|0.166757|0.138230|0.500000| |7.174194|8.876164|5.474408|17.679086|12.596174|5.872778|4.397093|4.120500|5.842762|6.820006|0.119991|7.638819|14.323719|4.615340|3.055961|2.607693|2.712402|2.369568|2.910832|5.216734|2.379302|2.952662|0.062742|1.867201|2.166380|2.015022|1.764084|1.651472|1.720587|1.951942|2.146384|16.239974|12.414115|6.990754|0.144661|0.216974|0.175525|0.215526|0.138464|0.138432|0.123360|0.305182|0.500000| |2.509016|2.950510|2.896613|3.686129|6.301344|6.176897|7.810088|5.912186|9.450345|6.190163|0.107122|4.126493|5.945000|12.701286|17.648917|8.934635|6.784316|7.145882|5.762029|7.882977|4.801385|4.896888|0.095301|2.966969|3.426862|2.762735|2.361961|2.053621|2.009437|2.239266|2.659313|16.705294|13.724242|7.749574|0.062134|0.067616|0.070187|0.077585|0.080998|0.087898|0.069491|0.107136|0.095607|0.500000| |2.149948|2.515455|2.512382|2.967511|5.045419|4.650913|6.451036|5.871980|11.343380|5.775836|0.105081|3.569152|5.256523|12.282429|17.548883|8.774341|5.452340|7.046558|6.839664|8.641308|6.652522|6.343330|0.115188|3.714833|4.546662|3.385529|2.860164|2.397713|2.285532|2.528010|3.092186|18.079167|15.231555|5.669585|0.054488|0.058045|0.059251|0.068134|0.068989|0.077350|0.061939|0.083070|0.077704|0.305496|0.500000| |1.960159|2.244310|2.351507|2.541179|4.040210|3.737676|4.456220|3.726339|6.763409|4.046565|0.074366|2.711335|4.128389|8.944522|8.799152|17.517825|8.938167|8.975974|6.135837|8.039001|7.242975|6.384891|0.116488|4.177622|3.859485|2.996130|2.609516|2.215371|2.103434|2.289736|2.734353|16.475675|14.220878|5.252903|0.050393|0.051929|0.055218|0.059507|0.066812|0.072030|0.058692|0.073676|0.065134|0.174382|0.211701|0.500000| |2.063087|2.300788|2.437335|2.607458|3.896852|3.551190|3.697844|2.986386|5.062201|3.481556|0.063576|2.493929|3.869639|6.350238|5.456796|8.811022|17.572008|7.010364|4.093064|6.117183|4.023346|4.218160|0.083278|2.875127|2.653922|2.238279|1.993239|1.765851|1.718533|1.867558|2.143177|14.032794|12.010296|5.622527|0.052762|0.054147|0.059945|0.059103|0.072341|0.072387|0.060487|0.079405|0.066314|0.140773|0.122726|0.212896|0.500000| |2.391692|2.767629|3.026022|3.140793|4.861041|4.768178|4.967691|3.700277|6.078182|4.190042|0.074528|3.002171|4.528068|9.182603|6.623627|8.726505|17.543183|5.476717|5.796185|8.505524|5.066345|5.098909|0.104263|3.289899|3.100038|2.592701|2.238472|1.974193|1.947604|2.166958|2.532038|16.374893|13.434358|7.983851|0.060907|0.061655|0.068960|0.070594|0.089854|0.092989|0.073587|0.095333|0.077106|0.161706|0.137365|0.214722|0.303144|0.500000| |2.469659|2.798442|2.903934|3.337536|5.045387|4.814504|4.789533|3.620796|5.832493|4.221061|0.075012|3.089634|4.690069|7.860840|6.835856|8.769372|17.543182|6.740622|4.447372|6.614870|3.919018|4.115995|0.082642|2.672172|2.683215|2.266291|1.986895|1.766824|1.741339|1.919930|2.212876|14.630606|12.159212|8.073685|0.061661|0.064802|0.072218|0.070579|0.086732|0.085919|0.069911|0.104910|0.083908|0.202897|0.139656|0.173750|0.302077|0.300522|0.500000| |1.809746|2.025211|2.027281|2.342674|3.663218|3.184980|3.716163|3.379297|6.241038|3.820919|0.072059|2.550983|3.968770|6.263636|7.032229|8.729972|5.476548|17.548580|3.968821|5.643082|4.310042|4.516814|0.082626|3.019757|3.135413|2.512871|2.266257|1.950206|1.838667|1.962653|2.287179|14.213467|12.654875|4.286511|0.046220|0.049143|0.050923|0.054129|0.057153|0.060363|0.050827|0.067690|0.062459|0.177783|0.214067|0.212742|0.141925|0.122234|0.138607|0.500000| |1.780804|1.967680|2.004429|2.249215|3.408928|2.975105|3.280428|2.864401|5.101169|3.326856|0.062311|2.303448|3.616443|5.509429|5.534214|8.789011|6.885747|17.576158|3.562530|5.216902|3.807578|4.043424|0.075984|2.797716|2.684834|2.220457|2.017533|1.765621|1.680491|1.791795|2.057496|13.176392|11.717318|4.257505|0.045621|0.047914|0.050885|0.051809|0.057691|0.059172|0.050358|0.066489|0.059321|0.143730|0.143295|0.216570|0.210352|0.141608|0.165953|0.301992|0.500000| |2.005999|2.228232|2.212328|2.642429|4.047564|3.549113|3.897730|3.356432|5.805870|3.903502|0.072152|2.715829|4.217776|6.267294|6.894289|8.764133|6.854164|17.545353|3.704976|5.401387|3.646874|3.885444|0.074144|2.571676|2.674375|2.216387|1.986868|1.746564|1.681497|1.813526|2.088022|13.488926|11.727372|4.991701|0.050571|0.054445|0.057332|0.058376|0.063461|0.064940|0.054744|0.078738|0.070390|0.212162|0.171266|0.174173|0.173797|0.138998|0.199890|0.301536|0.301977|0.500000| |1.941611|2.261114|2.442598|2.457150|3.960017|3.612035|4.406434|3.855614|7.279342|4.138556|0.076827|2.714820|4.134941|8.666148|5.820407|6.192530|5.152196|4.404572|8.837301|11.818997|17.630761|12.359109|0.213232|7.557002|5.615636|4.149861|3.449738|2.833128|2.674978|2.962528|3.692064|20.554082|17.437883|4.896506|0.050765|0.050901|0.053785|0.061090|0.067940|0.077165|0.061968|0.069111|0.062159|0.122363|0.154826|0.234723|0.127359|0.159896|0.114359|0.118793|0.113392|0.101989|0.500000| |1.919593|2.240096|2.330790|2.490187|4.119417|3.697701|4.859981|4.615901|9.597798|4.721004|0.088819|2.941470|4.447393|9.476571|7.189043|6.349238|4.550591|4.866954|8.645635|10.657150|17.678153|12.351750|0.184800|6.542049|7.391800|4.697209|3.839393|3.029542|2.793444|3.075429|3.937943|20.777027|17.909401|4.681435|0.049817|0.051152|0.052640|0.061410|0.063709|0.073054|0.058894|0.068923|0.064279|0.143541|0.236592|0.218585|0.110031|0.127772|0.107476|0.144550|0.116931|0.112050|0.300839|0.500000| |1.580632|1.800612|1.905054|1.910841|3.007715|2.538753|3.006749|2.967303|5.983010|3.363449|0.065812|2.177340|3.440529|4.987050|3.563369|3.585225|3.040681|3.104234|4.572531|7.417159|7.026534|12.328857|0.180390|17.636869|6.825648|5.273265|4.934443|3.750063|3.220527|3.306149|4.036603|21.187148|20.404695|3.323271|0.041971|0.042059|0.043293|0.049856|0.052080|0.058978|0.049750|0.052668|0.049698|0.082558|0.106619|0.120986|0.080215|0.087963|0.073467|0.090795|0.082635|0.074377|0.193776|0.192274|0.500000| |1.597410|1.827484|1.957605|1.895006|2.971220|2.462699|2.862991|2.875656|5.736340|3.336540|0.065842|2.169936|3.456548|4.516471|3.027523|2.940245|2.630724|2.531469|4.258607|7.702683|5.609024|12.344969|0.219853|17.675746|7.108444|6.968578|6.626492|4.988158|4.239751|4.320055|5.259824|26.207855|25.591534|3.200385|0.042857|0.042302|0.043390|0.051142|0.052904|0.061119|0.051815|0.051606|0.049068|0.072251|0.088073|0.094083|0.068936|0.078225|0.065084|0.072421|0.067202|0.062750|0.149062|0.138249|0.299093|0.500000| |1.673502|1.915668|2.083492|2.001204|3.126129|2.669508|3.081581|2.917866|5.612972|3.336273|0.064221|2.210438|3.482276|5.137036|3.449087|3.546442|3.219647|2.933598|4.940118|8.555913|7.033718|12.329923|0.224809|17.643862|5.556836|4.750114|4.221364|3.456142|3.164371|3.366039|4.059319|22.357779|20.357228|3.587204|0.044672|0.043958|0.045999|0.052656|0.057326|0.065195|0.054611|0.055444|0.051228|0.080385|0.096603|0.119172|0.085136|0.098090|0.076855|0.081707|0.079011|0.071184|0.226907|0.158427|0.298984|0.299852|0.500000| |1.709324|1.976419|2.036330|2.123119|3.451419|2.861367|3.565470|3.886795|8.758208|4.287533|0.086164|2.617173|4.102453|5.603203|3.913701|3.457303|2.847645|3.037414|5.066283|8.235602|6.737256|12.357226|0.182159|7.256171|17.623249|8.828535|7.177539|4.731135|3.961552|4.182142|5.613115|25.216865|23.530772|3.521666|0.045114|0.045979|0.046069|0.055835|0.054370|0.063458|0.052864|0.057117|0.055837|0.091892|0.126299|0.107242|0.072167|0.081058|0.071748|0.091696|0.076723|0.075256|0.145204|0.208666|0.213860|0.186071|0.145109|0.500000| |2.014843|2.397939|2.463219|2.600929|4.424316|3.717345|4.952013|5.821875|14.659551|5.939638|0.117453|3.417721|5.178010|7.487856|4.674883|3.746149|3.124961|3.146264|7.128966|11.898358|7.536185|12.328215|0.217005|5.616837|17.646929|8.874159|5.744804|4.258528|3.991081|4.706857|7.044781|29.357093|23.627015|4.338865|0.052768|0.053991|0.053713|0.068378|0.064614|0.078555|0.063080|0.068695|0.067647|0.109704|0.147977|0.110565|0.076352|0.090671|0.080138|0.092316|0.077232|0.079886|0.147766|0.208972|0.144760|0.143179|0.126296|0.300852|0.500000| |1.485114|1.686285|1.744570|1.755666|2.755728|2.193824|2.560122|2.779894|5.830919|3.325816|0.068655|2.108291|3.426461|3.781521|2.620443|2.423792|2.128359|2.203712|3.284043|5.864664|3.880584|7.092557|0.128476|5.474029|6.939176|8.878052|17.711618|8.967560|5.653406|4.949703|5.642535|27.430083|31.828942|2.751331|0.039858|0.040031|0.039861|0.048144|0.046401|0.053668|0.046404|0.047002|0.046541|0.064841|0.079878|0.073697|0.055482|0.061083|0.054604|0.065168|0.057604|0.056013|0.095538|0.108893|0.152035|0.184754|0.117734|0.217020|0.146002|0.500000| |1.385012|1.555778|1.612482|1.579838|2.425829|1.876137|2.106625|2.285458|4.584746|2.872868|0.060137|1.869916|3.115727|2.985914|2.039047|1.898356|1.732848|1.740416|2.524224|4.714183|2.753724|4.712252|0.094643|3.578944|4.088886|5.642489|8.918435|17.757151|8.961149|5.656638|4.967258|31.503653|54.723244|2.366988|0.037688|0.037371|0.036936|0.044906|0.042580|0.049171|0.043730|0.041988|0.042068|0.051953|0.060263|0.056382|0.045509|0.050100|0.045229|0.050500|0.045946|0.045192|0.070284|0.074813|0.094393|0.120216|0.085971|0.112270|0.098107|0.216069|0.500000| |2.146719|2.589032|2.752159|2.630805|4.357370|3.462088|4.103193|4.639687|9.250753|5.513815|0.110654|3.387831|5.297915|5.534082|3.260850|2.785117|2.562951|2.357081|5.179287|11.712362|4.681650|8.183215|0.203386|4.468685|7.059005|8.884545|5.644856|4.964946|5.658202|8.976092|17.723829|54.914559|31.547876|4.095228|0.057586|0.056672|0.056167|0.075925|0.069991|0.090041|0.072714|0.067835|0.067368|0.081591|0.092931|0.080638|0.063726|0.077339|0.067147|0.066348|0.059820|0.061635|0.108533|0.114305|0.105273|0.128816|0.109917|0.141854|0.206857|0.123799|0.107784|0.500000| 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