Version2.4 2021-06-06T22:30:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 28-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1ccc(cc1)n2c(nnc2SCC(=O)NNC(=C)c3cccc(c3)Br)c4ccc(cc4)Cl C01876797 RHF 6-31G(d) (6D,7F) CCOc1ccc(cc1)n2c(nnc2SCC(=O)NNC(=C)c3cccc(c3)Br)c4ccc(cc4)Cl C01[X(C26H23Br1Cl1N5O2S1)] 171 C1 609 CCOc1ccc(cc1)n1c(SCC(=O)NNC(=C)c2cccc(c2)Br)nnc1c1ccc(cc1)Cl CCOc1ccc(cc1)n1c(SCC(=O)NNC(=C)c2cccc(c2)Br)nnc1c1ccc(cc1)Cl CCOc1ccc(cc1)n2c(SCC(=O)NNC(=C)c3cccc(Br)c3)nnc2c4ccc(Cl)cc4 InChIKey=DQCIOVHSKHICAP-UHFFFAOYSA-N InChI=1S/C26H23BrClN5O2S/c1-3-35-23-13-11-22(12-14-23)33-25(18-7-9-21(28)10-8-18)31-32-26(33)36-16-24(34)30-29-17(2)19-5-4-6-20(27)15-19/h4-15,29H,2-3,16H2,1H3,(H,30,34) InChI=1/C26H23BrClN5O2S/c1-3-35-23-13-11-22(12-14-23)33-25(18-7-9-21(28)10-8-18)31-32-26(33)36-16-24(34)30-29-17(2)19-5-4-6-20(27)15-19/h4-15,29H,2-3,16H2,1H3,(H,30,34)/f/h30H CCOc1ccc(cc1)n2c(nnc2SCC(=O)NNC(=C)c3cccc(c3)Br)c4ccc(cc4)Cl C01[X(C26H23Br1Cl1N5O2S1)] 171 C01 609 CCOc1ccc(cc1)n1c(SCC(=O)NNC(=C)c2cccc(c2)Br)nnc1c1ccc(cc1)Cl CCO[C]1[CH][CH][C]([CH][CH]1)[N@@]1[C]([N][N][C]1[C]1[CH][CH][C]([CH][CH]1)Cl)SCC(=O)NNC(=C)[C]1[CH][CH][CH][C]([CH]1)Br CCO[C]1[CH][CH][C]([CH][CH]1)N2[C]([N][N][C]2[C]3[CH][CH][C](Cl)[CH][CH]3)SCC(=O)NNC(=C)[C]4[CH][CH][CH][C](Br)[CH]4 InChIKey=DQCIOVHSKHICAP-UHFFFAOYSA-N InChI=1S/C26H23BrClN5O2S/c1-3-35-23-13-11-22(12-14-23)33-25(18-7-9-21(28)10-8-18)31-32-26(33)36-16-24(34)30-29-17(2)19-5-4-6-20(27)15-19/h4-15,29H,2-3,16H2,1H3,(H,30,34) InChI=1/C26H23BrClN5O2S/c1-3-35-23-13-11-22(12-14-23)33-25(18-7-9-21(28)10-8-18)31-32-26(33)36-16-24(34)30-29-17(2)19-5-4-6-20(27)15-19/h4-15,29H,2-3,16H2,1H3,(H,30,34)/f/h30H 4153.8991890301 -4846.7630447 1-A 48450.9550 149 460 609 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.06406 -104.83084 -91.97141 -64.47558 -58.61506 -58.61322 -58.61311 -20.60447 -20.55199 -15.64432 -15.62887 -15.61587 -15.57772 -15.57644 -11.37341 -11.33170 -11.32259 -11.31269 -11.31038 -11.29998 -11.29975 -11.29237 -11.28265 -11.28182 -11.26625 -11.26469 -11.26273 -11.25848 -11.25739 -11.25415 -11.25344 -11.25219 -11.25090 -11.25018 -11.25010 -11.24775 -11.24647 -11.24497 -11.23033 -11.21109 -10.56426 -9.72389 -8.98087 -8.03365 -8.03031 -8.03029 -7.47311 -7.46435 -7.46432 -6.66367 -6.66221 -6.66003 -3.21202 -3.20777 -3.20776 -3.19760 -3.19759 -1.43641 -1.42785 -1.41987 -1.33473 -1.25511 -1.20262 -1.18938 -1.16708 -1.15606 -1.14939 -1.11852 -1.07881 -1.06713 -1.06307 -1.04665 -1.04193 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0.6106 0.8571 0.7444 0.7361 0.7742 0.8017 0.5637 0.7284 0.7492 0.4404 0.7843 0.8494 0.8543 0.7844 0.1948 0.0682 0.4917 0.8524 0.7954 0.8457 0.3779 0.3914 0.4031 0.8230 0.4595 0.4415 0.1427 0.8195 0.6139 0.6832 0.8546 0.6956 0.5403 0.8566 0.8546 0.8571 0.8474 0.6861 0.5247 0.5673 0.6122 0.7314 0.2168 0.6893 0.1951 0.4825 0.3387 0.6939 0.2842 0.8520 0.8362 0.2642 0.3003 0.3922 0.5690 0.6845 0.0581 0.3886 0.7990 0.8209 0.1794 0.5627 0.6736 0.7542 0.3489 0.8099 0.8571 0.8467 0.3089 0.7713 0.5657 0.7137 0.3924 0.8565 0.8242 0.8259 0.8562 0.5817 0.7546 0.4128 0.1509 0.2144 0.3875 0.2475 0.3483 0.6889 0.2271 0.7800 0.8571 0.8318 0.4056 0.3717 0.5520 0.8437 0.5071 0.5458 0.8141 0.4275 0.7976 0.4787 0.4179 0.6945 0.5362 0.6427 0.3711 0.2197 0.5503 0.0214 0.8561 0.0619 0.8472 0.8571 0.8557 0.2492 0.7681 0.7466 0.7360 0.3570 0.8334 0.5782 0.3388 0.2700 0.3302 0.3975 0.2120 0.4127 0.8211 0.2636 0.3351 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 6 6 8 6 6 6 6 6 6 7 6 7 7 6 16 6 6 8 7 7 6 6 6 6 6 6 6 6 35 6 6 6 6 6 6 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 14.00307 12.00000 31.97207 12.00000 12.00000 15.99491 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12124.0438 85014.6302 93683.2885 0.99996 -0.00444 -0.00720 0.00446 0.99999 0.00290 0.00719 -0.00293 0.99997 1 0.00714 0.00102 0.00092 0.14886 0.02123 0.01926 8.52 13.15 19.66 29.54 37.40 49.31 56.80 62.42 67.58 86.99 92.69 109.44 121.86 125.23 147.44 169.56 174.88 193.99 213.62 244.47 255.48 266.90 295.57 306.84 375.00 390.48 400.57 402.37 434.20 465.01 466.76 474.79 502.99 530.67 551.11 592.42 607.27 650.89 657.27 661.43 674.97 678.86 711.71 719.93 728.61 777.66 792.98 845.15 855.53 865.82 927.29 969.82 981.42 994.59 1007.42 1011.60 1036.03 1047.79 1106.14 1118.34 1134.26 1138.03 1155.26 1158.70 1182.39 1191.61 1224.18 1270.70 1283.67 1294.54 1299.10 1314.05 1337.11 1359.61 1372.15 1375.38 1435.96 1460.74 1470.53 1506.59 1516.83 1525.30 1540.61 1553.72 1562.20 1572.15 1579.86 1581.23 1583.37 1596.54 1602.71 1618.97 1629.24 1679.52 1690.54 1696.32 1718.30 1722.90 1736.79 1738.81 1747.16 1766.63 1790.92 1800.54 1804.18 1843.32 1853.68 1866.83 1870.39 1873.78 1883.36 1893.32 1984.35 2029.21 2053.44 2062.39 2076.34 2085.21 2089.97 2103.66 2127.68 2159.26 2220.86 2225.01 2241.41 2261.74 2273.88 2278.97 2286.01 2303.81 2343.61 2366.27 2373.57 2401.17 2405.44 2412.74 2419.19 2449.10 2467.12 2499.70 2540.06 2551.30 2556.64 2588.37 2610.64 2616.48 2698.79 2845.63 4615.88 4632.02 4675.41 4701.48 4727.80 4746.89 4775.02 4846.77 4854.20 4867.47 4871.45 4887.40 4888.79 4889.19 4899.02 4902.21 4912.57 4914.60 4915.06 4916.27 4964.95 5447.55 5568.94 0.484520 0.516352 0.517296 0.411723 -4846.278525 -4846.246693 -4846.245749 -4846.351322 3.540936D-04 MUNgauss RevisionA2.1 retrievium 06-Jun-2021 DUDE CCOc1ccc(cc1)n2c(nnc2SCC(=O)NNC(=C)c3cccc(c3)Br)c4ccc(cc4)Cl C01876797 RHF 6-31G(d) (6D,10F) C1 583.044436 |X|Y|Z| 76.472221 33.369285 203.692221 80.403511 29 6 7 16 23 5 1 |36.858105| |12.577859|36.858105| |8.076798|13.516665|73.516695| |5.235333|7.974274|25.253109|36.858105| |4.093427|5.243786|14.612970|13.653882|36.858105| |3.203364|3.977945|9.437500|7.927336|13.848045|36.858105| |2.978450|3.783099|8.227959|6.857842|7.944919|13.695522|36.858105| |3.338274|4.499665|9.257893|7.938107|6.891862|7.954831|13.812275|36.858105| |4.398814|6.689184|14.012835|13.726621|7.920291|6.866460|7.925215|13.728814|36.858105| |2.436143|2.958078|6.108256|4.528638|5.144054|7.797152|13.333540|7.823564|5.133756|53.358707| |2.178532|2.594626|5.195558|3.665158|4.004660|5.399998|7.501668|5.809043|4.154282|18.849450|36.858105| |1.924023|2.244360|4.422772|3.013740|3.276484|4.225721|5.340264|4.397996|3.348215|11.914645|14.852860|53.358707| |1.927240|2.241934|4.443427|3.027255|3.334910|4.338339|5.361857|4.320364|3.318671|11.897970|8.879105|19.029280|53.358707| |2.188084|2.591902|5.256571|3.711322|4.189207|5.817904|7.641451|5.558295|4.076014|19.021171|8.859839|12.162628|20.226109|36.858105| |2.244182|2.627709|5.349697|3.687017|4.178157|5.370060|5.998176|4.788736|3.873018|9.452699|4.941089|6.727598|9.513922|10.831304|388.023441| |1.854807|2.110451|4.160926|2.732181|3.002967|3.622366|3.959376|3.404964|2.868402|6.477900|4.033102|6.164195|9.111921|7.131402|74.746658|36.858105| |1.779284|1.989622|3.886607|2.480584|2.696220|3.091738|3.230745|2.886070|2.550800|4.876596|3.085662|4.533616|5.946883|4.695122|49.778167|12.565307|36.858105| |1.892037|2.106919|4.130766|2.612052|2.837710|3.171775|3.222016|2.910876|2.640205|4.617847|2.860241|4.044377|5.093108|4.222760|47.150699|7.949692|15.941772|73.516695| |1.580259|1.745357|3.363265|2.111635|2.268162|2.558644|2.672650|2.432032|2.174397|4.048386|2.685132|4.024314|5.089273|3.752915|34.069129|7.920374|14.004397|15.084388|53.358707| |1.490452|1.623530|3.106174|1.914677|2.042931|2.246882|2.302141|2.127477|1.948598|3.384046|2.261692|3.321016|4.016997|2.994117|26.565921|5.142774|8.003602|12.446055|18.806500|53.358707| |1.454335|1.578846|2.978516|1.818949|1.903548|2.059058|2.127256|2.014772|1.865496|3.078355|2.066979|3.003896|3.557028|2.662417|23.207899|4.181368|5.912719|10.116123|10.906310|18.344919|36.858105| |1.469405|1.605656|3.000211|1.837856|1.895376|2.050019|2.160634|2.080175|1.916277|3.135584|2.115263|3.081712|3.639315|2.708303|23.204026|4.144442|5.437664|9.067574|9.252951|10.688979|14.407749|36.858105| |1.369353|1.466990|2.754755|1.657444|1.730362|1.840771|1.872398|1.783864|1.680491|2.664311|1.799321|2.582543|2.985002|2.244027|19.168375|3.231492|4.266994|7.796696|7.043940|10.746797|12.775611|7.712392|36.858105| |1.378319|1.467628|2.732377|1.627286|1.680050|1.760375|1.785963|1.725485|1.647524|2.498500|1.682098|2.382148|2.718155|2.067973|17.620933|2.824333|3.599515|6.874717|5.457449|7.205190|7.605793|6.244459|13.698184|36.858105| |1.291165|1.360341|2.523323|1.487389|1.533645|1.591891|1.601337|1.550926|1.495180|2.224857|1.508377|2.124969|2.389896|1.814160|15.157014|2.372435|2.909692|5.537998|4.330243|5.473014|5.043590|4.340835|7.909988|13.765593|36.858105| |1.211904|1.272362|2.368586|1.395294|1.448557|1.507706|1.508860|1.450817|1.396294|2.107378|1.439694|2.036247|2.279969|1.715725|14.138109|2.229177|2.697339|5.031268|4.081948|5.187836|4.446529|3.722280|6.820258|7.922255|13.756898|36.858105| |1.206953|1.273187|2.385542|1.415611|1.481988|1.558893|1.561415|1.486413|1.417575|2.206002|1.512228|2.158601|2.432620|1.814098|14.920938|2.417072|2.952388|5.374133|4.642287|6.157886|5.058579|3.984276|7.944954|6.922244|8.004184|13.784144|36.858105| |1.276168|1.358669|2.557738|1.533343|1.611664|1.714946|1.729856|1.636584|1.544041|2.470428|1.686714|2.429005|2.780349|2.066608|17.236818|2.898175|3.676418|6.556513|6.119348|9.018573|7.618340|5.282604|13.681246|7.940081|6.878654|7.899803|13.791930|36.858105| |1.103435|1.157357|2.170603|1.283475|1.349265|1.418464|1.412699|1.339447|1.279264|2.000837|1.387721|1.983758|2.207428|1.630045|13.076834|2.098978|2.462770|4.402238|3.825504|4.747210|3.571357|2.974259|4.592142|4.094839|4.605753|6.697294|10.025227|6.703275|2539.412838| |2.193993|2.605813|5.141514|3.552739|3.752865|4.688364|6.002809|5.279438|4.031785|10.169975|12.890620|10.654177|7.256644|5.296753|25.849517|3.072637|2.492782|4.188453|3.025036|2.618980|1.783608|1.825784|1.580380|1.492197|1.353737|1.296332|1.353734|1.491621|42.654643|36.858105| |1.967040|2.298768|4.389837|2.919697|2.982810|3.516129|4.313715|4.130463|3.329256|7.009920|7.741378|8.880343|6.148268|4.194399|21.684727|2.728995|2.250555|3.754470|2.796760|2.438228|1.677558|1.731959|1.490442|1.408875|1.282018|1.229815|1.283612|1.410507|40.609011|13.683387|36.858105| |1.905259|2.196733|4.130054|2.670655|2.684683|3.027917|3.526982|3.493719|2.993563|5.285321|5.088974|6.064951|4.640621|3.248435|17.952422|2.281276|1.938043|3.271009|2.434458|2.158465|1.496198|1.541137|1.345669|1.280204|1.174627|1.129843|1.174625|1.279804|37.397877|7.898100|13.786430|36.858105| |2.035933|2.339048|4.421654|2.832609|2.847801|3.138159|3.518002|3.486723|3.101792|4.970971|4.485090|5.145029|4.119360|2.996151|17.031680|2.123770|1.829980|3.130325|2.287341|2.046546|1.418003|1.450013|1.285848|1.228948|1.133250|1.091239|1.131041|1.225751|36.104370|6.875149|7.984669|13.769257|36.858105| |2.287833|2.660055|5.181558|3.388868|3.482972|3.872500|4.250244|4.080133|3.632793|5.765060|5.034374|5.409615|4.391989|3.316233|18.776479|2.267642|1.948310|3.360435|2.401783|2.145541|1.477387|1.500678|1.339831|1.280807|1.179947|1.135148|1.176289|1.275703|37.466056|7.902965|6.878220|7.917656|13.790068|36.858105| |2.394571|2.843997|5.716271|3.940666|4.214468|5.086815|5.893284|5.209704|4.281163|8.262389|7.558421|7.139448|5.606863|4.344850|23.186666|2.706710|2.267229|3.891892|2.748421|2.420264|1.651600|1.675644|1.482820|1.409903|1.289109|1.236826|1.285989|1.405299|40.702655|13.708114|7.950184|6.871581|7.978493|13.760562|36.858105| |1.877488|2.101168|3.883299|2.392660|2.371938|2.512751|2.714228|2.742570|2.564115|3.739513|3.180638|3.843271|3.231710|2.352615|14.000849|1.778435|1.567821|2.699608|1.983028|1.799236|1.255894|1.282862|1.150900|1.105932|1.027761|0.992471|1.025025|1.102219|32.921088|4.221194|4.774869|7.038762|10.935059|7.043868|4.772908|448.794386| |17.579620|8.864441|12.944474|4.880883|4.011725|3.138266|2.868599|3.137450|4.019987|3.216899|2.139097|2.565318|2.546047|2.108780|15.161749|1.773630|1.693899|3.181779|2.057138|1.940208|1.383203|1.391305|1.304839|1.307287|1.228572|1.160285|1.159621|1.224210|36.327561|2.184064|1.956205|1.914304|2.075497|2.351674|2.427698|15.516159|0.500000| |17.580893|8.865604|12.943493|4.889388|4.024648|3.145986|2.873260|3.141227|4.021637|3.222087|2.096201|2.544904|2.583514|2.162851|16.160529|1.879533|1.826645|3.493478|2.202786|2.091188|1.500414|1.508052|1.420016|1.435738|1.347855|1.262825|1.253381|1.321957|38.893308|2.075253|1.856903|1.783655|1.888930|2.117241|2.240752|13.935485|0.300893|0.500000| |17.557488|8.882676|10.246755|4.239337|3.388200|2.774467|2.653290|3.003135|3.843167|3.020607|2.012317|2.441221|2.439181|2.010755|14.614746|1.727646|1.663855|3.133661|2.028463|1.920771|1.387299|1.408752|1.310261|1.324704|1.244612|1.166782|1.157945|1.220573|36.036849|2.036634|1.856297|1.811592|1.926203|2.127605|2.198985|14.448001|0.300467|0.300450|0.500000| |8.845806|17.549762|16.525543|7.075318|4.772986|3.802704|3.753385|4.597790|6.778215|4.034688|2.662067|3.106146|3.043243|2.553161|17.820573|2.034697|1.895842|3.519644|2.280201|2.112058|1.508981|1.541726|1.398266|1.393497|1.291811|1.211833|1.216048|1.298672|37.766248|2.749623|2.446378|2.371519|2.554685|2.901457|3.037912|18.524309|0.212148|0.173396|0.212570|0.500000| |8.844941|17.552404|16.529182|7.103237|4.795968|3.817158|3.764334|4.610093|6.786784|4.045334|2.580886|3.070294|3.108087|2.651168|19.510266|2.199588|2.088051|3.956938|2.483855|2.311451|1.665192|1.705549|1.543055|1.552499|1.432828|1.330224|1.325635|1.417305|40.677531|2.541504|2.260020|2.135651|2.228565|2.491886|2.693495|15.992103|0.173378|0.212189|0.212497|0.300791|0.500000| |4.123525|4.866014|13.514369|8.947605|17.747152|8.910721|5.638893|4.964336|5.654470|5.663516|3.394155|3.911354|3.999011|3.575238|26.106927|2.750379|2.531523|4.783031|2.928721|2.676511|1.828395|1.801020|1.682469|1.637583|1.507116|1.430437|1.461613|1.578642|45.549965|3.221146|2.625567|2.407090|2.573579|3.118787|3.638230|17.649912|0.115678|0.116203|0.093342|0.120082|0.120699|0.500000| |2.809437|3.324315|7.617709|5.638477|8.946963|17.726079|8.911269|5.658411|4.949294|9.759616|5.238657|5.834931|6.098417|5.874545|38.792037|3.781644|3.212747|5.809549|3.621777|3.172789|2.098176|2.059140|1.878083|1.778268|1.610694|1.537768|1.602580|1.766456|49.951442|4.445350|3.360392|2.894095|2.988747|3.663067|4.776131|19.347780|0.077511|0.077717|0.068276|0.088296|0.088616|0.214198|0.500000| |2.976676|3.896096|7.455450|5.648825|4.962789|5.655662|8.956604|17.729963|8.923870|9.791970|5.948601|6.285018|6.043891|5.417234|31.955037|3.373777|2.835392|4.993373|3.298061|2.871194|2.016785|2.113971|1.774543|1.715775|1.537550|1.435314|1.470493|1.622681|45.016451|5.453724|4.511913|3.744960|3.585334|3.988707|4.956110|22.518371|0.077522|0.077595|0.076578|0.113322|0.113552|0.107734|0.124418|0.500000| |4.667873|7.398721|12.482359|8.863981|5.625580|4.953335|5.660725|8.962720|17.774928|5.687336|3.580775|4.052683|3.993978|3.471614|23.695867|2.582822|2.334156|4.292727|2.750053|2.487650|1.773372|1.837251|1.606068|1.587210|1.445502|1.345946|1.358665|1.472969|41.699707|3.565891|3.091783|2.847163|2.938310|3.325989|3.731807|20.028695|0.114822|0.114715|0.117813|0.226054|0.225208|0.124064|0.107543|0.216866|0.500000| |1.758284|1.984226|3.930667|2.567636|2.870065|3.495305|3.734873|3.141796|2.658237|6.277567|4.088313|6.488903|9.645504|6.779837|56.405717|17.610915|8.868948|10.955010|9.624928|6.526482|3.777322|3.633798|3.010980|2.603386|2.228449|2.137495|2.349153|2.800879|71.167317|3.113846|2.765690|2.310412|2.149858|2.295381|2.741088|14.435581|0.047176|0.049369|0.045446|0.053430|0.056686|0.073959|0.104982|0.085856|0.066327|0.500000| |1.790689|2.044027|3.962685|2.595147|2.774817|3.306819|3.759392|3.355779|2.797176|6.262814|4.079196|6.461349|9.558055|6.741920|56.321132|17.619627|8.878506|10.924893|9.695020|6.448831|4.091964|4.317317|3.123152|2.746678|2.301960|2.152562|2.322750|2.779787|68.610817|3.113885|2.838512|2.354534|2.152866|2.259371|2.677565|14.459863|0.047460|0.050033|0.046721|0.055293|0.059492|0.069981|0.093314|0.095834|0.071111|0.303775|0.500000| |1.507171|1.664010|3.203460|2.014608|2.167948|2.465931|2.593830|2.347797|2.082541|4.018001|2.734958|4.206402|5.326766|3.740525|31.494499|7.502248|9.297381|10.882373|26.057757|12.891161|6.289071|5.666436|4.427053|3.472148|2.849217|2.749723|3.161614|4.088035|92.259172|2.260633|2.108617|1.829944|1.706743|1.780461|2.034711|11.864566|0.040253|0.042629|0.039540|0.044701|0.048029|0.057080|0.071706|0.065414|0.053779|0.211506|0.199975|0.500000| |1.527213|1.655242|3.187073|1.955520|2.104907|2.300147|2.311500|2.122308|1.962622|3.348152|2.214413|3.205294|3.850411|2.929849|26.538689|4.830855|7.546584|13.484791|13.196145|25.923201|9.461030|6.015719|7.486068|5.293657|4.140225|3.968082|4.699030|6.634960|123.270446|1.891572|1.745844|1.551697|1.483974|1.567203|1.768329|10.490921|0.040612|0.043997|0.040009|0.043672|0.047973|0.056835|0.066797|0.057716|0.050902|0.126840|0.118012|0.198364|0.500000| |1.413807|1.536060|2.841422|1.724238|1.759302|1.879600|1.979277|1.932641|1.800187|2.839077|1.929361|2.787052|3.222901|2.399596|20.091030|3.404806|4.209596|7.292988|6.692770|7.656095|9.159699|17.762570|7.088190|6.649285|4.648430|3.843833|3.933644|4.921395|99.097300|1.689658|1.614894|1.449535|1.366439|1.408116|1.558674|9.780936|0.037121|0.040312|0.037880|0.041015|0.045451|0.046550|0.052091|0.054769|0.048425|0.084202|0.099060|0.120143|0.130609|0.500000| |1.523781|1.682280|3.147916|1.950525|2.008704|2.200062|2.361238|2.272493|2.060135|3.482392|2.349458|3.462744|4.156979|3.064713|26.151436|4.875670|6.145059|9.530845|10.244311|9.549684|9.073174|17.769581|5.508884|4.663995|3.501294|3.088777|3.306984|4.221246|88.731854|2.001850|1.901145|1.674568|1.562333|1.613292|1.813541|11.006512|0.040049|0.043195|0.040531|0.045069|0.049707|0.052450|0.061118|0.064820|0.054746|0.114964|0.149505|0.178081|0.149670|0.288523|0.500000| |1.452325|1.552181|2.875891|1.713147|1.753352|1.830074|1.868253|1.822489|1.744440|2.596176|1.736569|2.445628|2.793071|2.144499|18.441626|2.904115|3.685550|7.182891|5.374105|6.659309|7.049514|6.663613|8.924953|17.743093|8.924205|5.643000|4.979788|5.650349|113.214962|1.538894|1.451684|1.317214|1.263707|1.317558|1.452367|9.113455|0.038035|0.042059|0.038843|0.040848|0.045965|0.047221|0.050868|0.050492|0.046879|0.072832|0.079154|0.093880|0.133882|0.208419|0.139439|0.500000| |1.285554|1.347547|2.483678|1.453628|1.488033|1.530803|1.538232|1.502118|1.460083|2.118552|1.436265|2.009494|2.242503|1.709940|14.205016|2.173781|2.612923|5.014317|3.786136|4.579792|4.108339|3.748613|5.635431|8.928244|17.722832|8.939781|5.677537|4.955411|130.288919|1.297441|1.230378|1.132168|1.095325|1.140017|1.240601|8.005437|0.033901|0.037363|0.034552|0.035493|0.039529|0.040682|0.042781|0.041370|0.039426|0.056554|0.058824|0.069644|0.096170|0.113722|0.086617|0.215344|0.500000| |1.155237|1.205436|2.237294|1.309989|1.357224|1.404404|1.400428|1.350324|1.306844|1.947241|1.335654|1.881888|2.088332|1.570695|12.797910|1.987506|2.353399|4.386048|3.503529|4.293661|3.555992|3.087341|4.927480|5.634444|8.885141|17.754718|8.920215|5.634890|219.991958|1.211547|1.151898|1.063850|1.030626|1.071119|1.161272|7.563155|0.030784|0.033460|0.030964|0.031910|0.034924|0.037379|0.039770|0.037071|0.035086|0.053269|0.053384|0.066440|0.091370|0.088940|0.073228|0.123996|0.214535|0.500000| |1.257798|1.342617|2.538586|1.529646|1.618447|1.737777|1.754567|1.645633|1.541115|2.534666|1.741766|2.532553|2.909212|2.135746|17.620683|3.039843|3.816227|6.541040|6.638776|9.818807|7.034750|4.955395|8.888396|5.644055|4.959065|5.639460|8.939364|17.769021|220.715880|1.534785|1.452453|1.314463|1.255577|1.305425|1.440613|9.043725|0.033643|0.036067|0.033349|0.035770|0.038729|0.044003|0.050090|0.045340|0.040670|0.083488|0.080759|0.128188|0.194009|0.123150|0.115446|0.124119|0.107635|0.124254|0.500000| |1.837777|2.135345|4.042810|2.668597|2.718391|3.199722|3.939210|3.794284|3.053322|6.641038|7.224631|9.790788|6.639694|4.268285|21.958494|2.861285|2.337434|3.844547|2.933252|2.538290|1.749658|1.820565|1.543286|1.452529|1.316462|1.262167|1.320992|1.458127|41.712512|8.931554|17.754796|8.939717|5.668960|4.957679|5.658415|31.614827|0.050379|0.048543|0.048455|0.062529|0.059118|0.066839|0.085636|0.118180|0.079649|0.080526|0.084709|0.061968|0.050009|0.047097|0.055976|0.041575|0.035009|0.032760|0.041814|0.500000| |1.751425|1.996022|3.699062|2.350640|2.343514|2.601361|2.990420|3.003594|2.625085|4.464006|4.143431|5.247264|4.140793|2.857495|16.195331|2.106730|1.808786|3.046109|2.299526|2.049907|1.429313|1.477739|1.289103|1.227712|1.129200|1.087577|1.130023|1.228417|36.075679|5.626159|8.912762|17.751036|8.921615|5.642400|4.953908|53.783983|0.048786|0.045647|0.046687|0.059757|0.054246|0.059013|0.069428|0.090299|0.070608|0.059232|0.060930|0.048179|0.040778|0.038796|0.044553|0.035059|0.030263|0.028493|0.035050|0.214855|0.500000| |2.378697|2.726594|5.324365|3.389922|3.482778|3.707514|3.847720|3.720698|3.495823|4.995367|4.091993|4.533173|3.838517|2.940380|17.300813|2.087986|1.823736|3.176936|2.251520|2.030561|1.400650|1.416090|1.280089|1.228646|1.137602|1.096020|1.132711|1.222090|36.187286|5.629970|4.957406|5.641792|8.929076|17.751345|8.908592|53.826151|0.069145|0.060765|0.061217|0.083081|0.069581|0.088705|0.097826|0.098350|0.089386|0.058664|0.057267|0.046161|0.041433|0.037021|0.041991|0.035072|0.030608|0.028816|0.034662|0.107650|0.124232|0.500000| 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