Version2.0 2020-07-18T05:29:26Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@H](C)CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccc(c(c3)Cl)Cl)c4ccccc4 C16647584 RHF 6-31G(d) (6D,7F) CC[C@H](C)CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccc(c(c3)Cl)Cl)c4ccccc4 C01[X(C27H32Cl2N4O3)] 198 C1 612 CC[C@@H](CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c1ccc(c(c1)Cl)Cl)c1ccccc1)C CC[C@@H](CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c1ccc(c(c1)Cl)Cl)c1ccccc1)C CC[C@H](C)CNC(=O)CN1CN(c2ccccc2)C3(CCN(CC3)C(=O)c4ccc(Cl)c(Cl)c4)C1=O InChIKey=XWKVNRJIELWXAH-IBGZPJMESA-N InChI=1S/C27H32Cl2N4O3/c1-3-19(2)16-30-24(34)17-32-18-33(21-7-5-4-6-8-21)27(26(32)36)11-13-31(14-12-27)25(35)20-9-10-22(28)23(29)15-20/h4-10,15,19H,3,11-14,16-18H2,1-2H3,(H,30,34)/t19-/m0/s1 InChI=1/C27H32Cl2N4O3/c1-3-19(2)16-30-24(34)17-32-18-33(21-7-5-4-6-8-21)27(26(32)36)11-13-31(14-12-27)25(35)20-9-10-22(28)23(29)15-20/h4-10,15,19H,3,11-14,16-18H2,1-2H3,(H,30,34)/t19-/m0/s1/f/h30H CC[C@H](C)CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccc(c(c3)Cl)Cl)c4ccccc4 C01[X(C27H32Cl2N4O3)] 198 C01 612 CC[C@@H](CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c1ccc(c(c1)Cl)Cl)c1ccccc1)C CC[C@@H](CNC(=O)CN1C[N@]([C@@]2(C1=O)CCN(CC2)C(=O)[C]1[CH][CH][C]([C]([CH]1)Cl)Cl)[C]1[CH][CH][CH][CH][CH]1)C CC[C@H](C)CNC(=O)CN1CN([C]2[CH][CH][CH][CH][CH]2)C3(CCN(CC3)C(=O)[C]4[CH][CH][C](Cl)[C](Cl)[CH]4)C1=O InChIKey=XWKVNRJIELWXAH-IBGZPJMESA-N InChI=1S/C27H32Cl2N4O3/c1-3-19(2)16-30-24(34)17-32-18-33(21-7-5-4-6-8-21)27(26(32)36)11-13-31(14-12-27)25(35)20-9-10-22(28)23(29)15-20/h4-10,15,19H,3,11-14,16-18H2,1-2H3,(H,30,34)/t19-/m0/s1 InChI=1/C27H32Cl2N4O3/c1-3-19(2)16-30-24(34)17-32-18-33(21-7-5-4-6-8-21)27(26(32)36)11-13-31(14-12-27)25(35)20-9-10-22(28)23(29)15-20/h4-10,15,19H,3,11-14,16-18H2,1-2H3,(H,30,34)/t19-/m0/s1/f/h30H 4122.6251147409 -2402.4740213 1-A 32002.1935 140 472 612 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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|A|A|A|A|A|A|A|A|A|A|A|A| 5.6675 7.1521 13.7776 22.7804 26.2146 31.0550 35.6246 43.5923 54.1939 55.9820 62.7005 67.0239 81.8553 88.7413 103.1715 122.8807 135.5883 153.3647 187.8138 193.0197 209.1037 212.5224 225.2694 231.6120 238.9199 244.6403 260.3807 272.8969 281.1065 297.4273 302.3491 324.4285 329.5183 339.7842 357.8601 364.8831 386.9957 398.3975 411.2047 443.5875 450.3253 466.7602 474.0621 482.6439 484.5427 492.9977 496.3945 522.4239 532.9138 538.6717 567.3101 580.3710 601.9703 638.5937 651.9495 666.3650 678.9678 694.8751 709.5387 718.0194 747.5312 783.1706 789.8654 791.6767 802.8528 834.9394 844.5837 853.7389 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3202.0002 3207.3888 3208.5676 3213.1561 3220.0502 3222.4013 3226.7196 3260.9595 3263.3964 3264.9606 3269.7612 3274.3057 3275.5202 3280.6465 3285.0464 3290.8235 3302.2925 3320.7790 3345.6474 3348.5920 3358.0476 3367.5098 3378.5175 3387.7309 3389.8097 3395.5300 3408.7004 3420.5295 3867.4750 4.2881 5.4462 8.2492 6.2287 3.4279 6.0600 8.1657 4.4271 5.4497 5.0160 4.5806 7.0353 6.0253 2.0477 3.9691 5.5933 6.5522 5.5847 5.4034 2.6927 3.3364 5.1363 1.3484 3.6400 3.5350 3.7787 1.9898 3.5012 3.6109 2.2340 5.4642 3.1599 2.7492 3.3400 4.5944 6.2211 6.1539 3.0522 3.9223 1.9812 2.2092 2.9711 1.6966 3.3307 5.4148 3.5522 3.6782 4.0075 3.7486 2.6707 3.5413 6.0469 3.6829 2.4991 2.8344 4.5846 6.4209 3.4359 5.8206 5.2947 6.5130 1.8654 4.4717 4.4774 4.5688 1.4348 5.4435 6.6574 4.0236 1.9096 1.8802 1.5683 3.5423 2.0911 1.4703 1.2408 3.8632 2.2875 2.7688 2.3621 1.7158 1.5480 1.6934 2.0448 1.5113 2.9099 5.3641 1.5837 2.4236 1.3760 1.3573 2.4533 1.5914 1.5822 1.8361 5.1149 2.8658 3.4690 1.7021 2.9942 3.2542 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277.71 300.85 305.77 324.11 333.24 343.75 351.98 374.63 392.64 404.45 427.93 435.01 466.78 474.10 488.87 514.88 524.99 556.80 573.21 591.63 638.22 647.92 671.56 682.07 694.42 697.15 709.31 714.20 751.65 766.74 775.03 816.23 835.02 866.10 918.79 938.01 958.75 976.88 999.77 1020.87 1033.07 1075.53 1126.81 1136.44 1139.05 1155.13 1201.29 1215.17 1228.34 1246.90 1256.70 1281.63 1282.32 1317.55 1363.78 1375.90 1380.10 1398.40 1415.41 1465.31 1491.05 1499.11 1500.51 1511.68 1519.31 1533.53 1550.26 1573.92 1584.08 1588.79 1592.79 1594.67 1611.13 1621.53 1622.86 1626.62 1633.77 1649.67 1675.09 1697.45 1709.92 1737.92 1743.00 1767.94 1783.19 1800.30 1808.83 1817.08 1831.82 1847.47 1862.10 1874.16 1880.09 1884.65 1892.27 1910.05 1929.69 1933.48 1943.67 1950.34 1994.46 2008.52 2019.86 2032.80 2050.77 2058.29 2080.26 2086.66 2107.10 2151.46 2156.80 2183.29 2190.66 2197.17 2199.66 2208.10 2217.56 2229.15 2244.59 2253.90 2256.28 2263.45 2289.01 2313.62 2320.39 2344.99 2346.31 2360.05 2361.53 2364.01 2366.53 2369.28 2372.76 2376.14 2380.78 2386.93 2398.99 2409.03 2461.79 2482.53 2521.41 2560.87 2591.27 2600.48 2755.43 2804.38 2827.95 4537.35 4541.98 4584.58 4606.96 4614.72 4616.41 4623.01 4632.93 4636.32 4642.53 4691.79 4695.30 4697.55 4704.46 4711.00 4712.74 4720.12 4726.45 4734.76 4751.26 4777.86 4813.64 4817.88 4831.48 4845.10 4860.93 4874.19 4877.18 4885.41 4904.36 4921.38 5564.43 0.602969 0.635702 0.636646 0.530325 -2401.871052 -2401.838320 -2401.837376 -2401.943696 3.565990D-04 MUNgauss RevisionA2.0 retrievium 18-Jul-2020 DUDE CC[C@H](C)CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccc(c(c3)Cl)Cl)c4ccccc4 C16647584 RHF 6-31G(d) (6D,10F) C1 530.185147 |X|Y|Z| 69.566379 45.259784 158.474784 79.315369 23 6 7 20 3 |36.858105| |12.456175|36.858105| |7.374364|12.394397|36.858105| |6.858557|8.907728|17.460545|0.500000| |6.087571|7.462864|12.444205|0.247285|36.858105| |4.883478|7.611831|12.411034|0.247642|7.529252|36.858105| |3.764746|4.992943|7.628734|0.196394|6.282290|13.121369|53.358707| |3.106661|3.920955|5.337077|0.134758|5.178194|7.706832|19.208543|36.858105| |2.994809|3.781598|4.824088|0.115800|4.919373|6.706491|11.503710|15.888551|73.516695| |2.597061|3.089174|4.002744|0.108998|3.994303|5.002604|10.732366|12.451030|14.168740|36.858105| |2.229854|2.603233|3.188973|0.085418|3.254513|3.868274|7.091608|7.721783|12.317118|13.315208|53.358707| |2.100870|2.404739|2.892766|0.076542|3.101808|3.340136|5.688087|5.803247|10.625616|7.523029|17.980446|36.858105| |1.877445|2.138827|2.483001|0.065468|2.605727|2.872810|4.646618|4.485716|8.650802|5.262163|11.505506|13.176043|53.358707| |1.803340|2.062754|2.373166|0.063301|2.401503|2.796253|4.540505|4.264713|7.847505|5.139277|11.132703|7.930884|17.685540|36.858105| |2.034199|2.371023|2.801239|0.075151|2.768497|3.428927|5.920958|5.845790|9.933430|7.846757|19.267587|8.181652|11.281490|12.480939|36.858105| |2.038390|2.390285|2.793353|0.075725|2.660278|3.482233|5.953209|5.449809|8.888302|6.787981|11.461818|5.474698|7.491480|7.801517|15.849035|73.516695| |1.720212|1.971994|2.209153|0.058312|2.206753|2.613700|4.051114|3.670950|7.062398|3.980542|7.322537|5.239289|10.503089|12.397144|7.524181|11.291505|36.858105| |1.605122|1.829938|2.021477|0.054016|1.976911|2.381841|3.643987|3.146648|5.817009|3.411385|5.786510|3.891610|6.732232|7.398447|5.934178|10.786960|12.429314|36.858105| |1.477241|1.659850|1.834535|0.049666|1.805613|2.114799|3.251370|2.756154|4.958172|3.096282|5.205231|3.576891|6.062114|6.466523|5.081472|9.078972|7.717953|13.033168|53.358707| |1.529003|1.714325|1.925151|0.052659|1.902304|2.211790|3.492350|2.979226|5.195416|3.545000|6.109764|4.088854|6.684763|7.451746|6.042964|10.495068|6.571616|7.853558|17.780843|36.858105| |1.618189|1.816966|2.070634|0.056272|2.091087|2.372857|3.811677|3.375735|5.951377|4.160774|7.922399|5.713805|10.217860|12.325720|7.593498|10.768628|7.553648|6.527012|10.523535|12.453631|36.858105| |1.344793|1.494549|1.634090|0.044255|1.620523|1.850901|2.797114|2.334871|4.233535|2.577654|4.222108|3.035837|5.101869|4.826537|3.820894|6.672387|5.681402|7.638331|19.046987|7.896511|5.826271|36.858105| |1.280399|1.410963|1.544539|0.042045|1.543288|1.727011|2.613823|2.168505|3.900533|2.421507|3.939827|2.894134|4.778739|4.298528|3.431475|5.876432|4.583077|5.368720|11.502583|7.037768|5.590876|15.836620|73.516695| |1.283721|1.424318|1.535455|0.041380|1.516999|1.734252|2.566727|2.115306|3.886573|2.259321|3.597505|2.597928|4.284260|3.821886|3.172327|5.639518|4.779576|6.357575|10.526718|5.018182|4.124633|12.638456|14.490635|36.858105| |1.284337|1.428624|1.527660|0.041187|1.490861|1.733464|2.540247|2.065549|3.783092|2.171969|3.375550|2.377699|3.803973|3.382461|2.979893|5.507525|4.229395|5.902460|8.567566|4.315511|3.503614|7.496906|9.683483|13.722890|36.858105| |1.212984|1.342504|1.419157|0.038184|1.384836|1.597316|2.304316|1.851970|3.411693|1.913175|2.918579|2.076503|3.267484|2.786386|2.503553|4.605171|3.415515|4.324795|5.921426|3.291999|2.823261|5.012743|7.290344|7.935075|13.796001|36.858105| |1.151883|1.267274|1.335903|0.035873|1.315604|1.489260|2.138679|1.719876|3.189209|1.771250|2.704345|1.966463|3.104555|2.568718|2.273032|4.085613|3.107577|3.665941|5.065504|2.919692|2.606304|4.447485|6.869494|6.855314|7.938734|13.746593|36.858105| |1.150868|1.263589|1.340360|0.035982|1.332711|1.488863|2.153085|1.747108|3.248124|1.816501|2.812538|2.084191|3.346947|2.743824|2.353298|4.135707|3.304033|3.764248|5.390579|3.109389|2.831942|5.061396|8.088819|7.920085|6.876868|7.943531|13.729170|36.858105| |1.210344|1.333486|1.429461|0.038435|1.425117|1.595846|2.339884|1.921115|3.559167|2.032042|3.211671|2.386593|3.925177|3.303322|2.733275|4.749754|4.014770|4.666865|7.164482|3.930378|3.519705|7.690733|11.895994|13.756874|7.959160|6.897329|7.944488|13.762474|36.858105| |1.073468|1.169134|1.234146|0.033109|1.237269|1.354292|1.944533|1.569701|2.927197|1.622699|2.489992|1.879242|2.980179|2.348058|2.027704|3.516609|2.726969|2.915846|4.131070|2.540886|2.412980|3.698643|6.366169|4.780564|4.229856|4.748832|6.973157|10.985855|7.093832|448.794386| |1.075539|1.176114|1.226336|0.032919|1.206362|1.355237|1.920544|1.525181|2.830263|1.550580|2.324316|1.693309|2.616502|2.109915|1.913414|3.446994|2.484161|2.812539|3.803802|2.312869|2.113792|3.166658|5.107207|4.222867|4.787375|7.092803|10.993724|6.973409|4.750440|47.596524|448.794386| |1.703968|1.905038|2.169333|0.057311|2.310556|2.429657|3.789335|3.460455|6.688190|3.881126|7.224751|7.766023|18.226848|7.503221|5.180924|7.029437|5.953789|4.157814|5.393300|4.214797|6.127064|3.613227|6.258226|3.081285|2.663085|2.324627|2.271983|2.513487|2.953604|18.476136|15.428271|36.858105| |1.653604|1.844735|2.060865|0.053840|2.199512|2.295245|3.461225|3.097501|6.198964|3.256788|5.642950|5.470024|10.713343|5.551591|4.137800|5.973486|5.407810|3.852633|4.829944|3.513905|4.553896|3.361166|5.735098|3.033869|2.633479|2.353490|2.347232|2.615408|3.010139|19.627483|16.089050|13.710862|36.858105| |1.508049|1.656832|1.826488|0.047979|1.957439|1.991273|2.952782|2.556954|5.018709|2.673040|4.407822|4.078214|7.009529|4.073397|3.214226|4.837924|4.036771|3.160472|4.123999|2.984666|3.686871|3.008755|5.298117|2.780239|2.403051|2.193008|2.241347|2.536166|2.871613|19.817711|15.596318|7.899235|13.746441|36.858105| |1.424687|1.549030|1.711465|0.045466|1.838092|1.842516|2.749300|2.348594|4.481026|2.515210|4.101199|3.776441|6.156436|3.681844|2.955641|4.479874|3.470960|2.840149|3.875142|2.893833|3.587012|2.873257|5.259098|2.603832|2.236937|2.037893|2.086517|2.373311|2.701117|18.767813|14.568059|6.828487|7.934771|13.757682|36.858105| |1.456795|1.584376|1.772339|0.047504|1.902264|1.909816|2.905111|2.495372|4.655958|2.771257|4.601339|4.335546|6.954629|4.109001|3.270490|4.871896|3.597908|2.950959|4.140542|3.243313|4.213698|3.019963|5.642340|2.628895|2.251313|2.016106|2.030299|2.293047|2.655592|17.732632|14.055381|7.898620|6.888279|7.954275|13.746814|36.858105| |1.585858|1.745320|1.982757|0.053138|2.120402|2.171703|3.382982|2.987620|5.547010|3.436643|6.062319|6.132447|10.511345|5.645337|4.259461|6.038155|4.472194|3.493246|4.862167|3.963293|5.688389|3.381349|6.188496|2.843467|2.439689|2.140456|2.109830|2.353490|2.767320|17.612708|14.423374|13.682829|7.957228|6.884507|7.931872|13.757049|36.858105| |17.552544|8.806592|5.425517|0.141344|4.612834|4.089983|4.374824|2.722701|4.735095|2.305906|2.746051|1.907409|2.356164|1.673028|1.868892|3.347277|1.614555|1.518026|1.901869|1.435561|1.507770|1.278341|2.162088|1.228792|1.234814|1.173104|1.115371|1.110394|1.161408|8.333136|8.410489|1.581856|1.546796|1.418750|1.339130|1.361882|1.473203|0.500000| |17.531185|8.769678|6.756803|0.205642|5.506097|4.545671|5.017695|3.001271|5.007693|2.576238|2.982407|2.049036|2.480991|1.761584|1.996765|3.574637|1.666870|1.565310|1.976888|1.514185|1.597230|1.321692|2.245025|1.256402|1.256715|1.184206|1.122643|1.121885|1.182166|8.392169|8.404823|1.653011|1.590026|1.452571|1.382680|1.423737|1.551602|0.301855|0.500000| |17.570295|8.728979|6.549234|0.164717|6.598532|4.407076|4.820628|3.018719|5.250622|2.541943|2.999189|2.115438|2.562865|1.783999|1.990972|3.497967|1.695590|1.568466|1.970307|1.499719|1.600958|1.323403|2.248299|1.262136|1.255469|1.186368|1.132355|1.136676|1.196047|8.553873|8.489345|1.724358|1.679249|1.538854|1.455950|1.485534|1.609677|0.302638|0.301574|0.500000| |8.907751|17.513605|8.867475|0.213256|5.480469|7.196715|6.510565|3.722052|6.301433|2.977769|3.427232|2.287211|2.804201|2.024363|2.340741|4.280031|1.951915|1.838414|2.266111|1.713354|1.791517|1.495622|2.500961|1.430114|1.446052|1.360637|1.277485|1.265792|1.332649|9.359685|9.533446|1.827656|1.767642|1.586792|1.483996|1.518918|1.674467|0.217604|0.209418|0.173196|0.500000| |8.856117|17.501703|8.843646|0.174218|6.834542|6.918632|6.264981|3.842016|6.948633|2.981183|3.507469|2.416477|2.960003|2.081745|2.361971|4.200428|2.016637|1.857834|2.273877|1.707955|1.815514|1.508553|2.523392|1.446836|1.451315|1.369274|1.296649|1.292736|1.359793|9.623654|9.683538|1.946500|1.910623|1.715496|1.589186|1.609855|1.766847|0.211300|0.172869|0.211918|0.304100|0.500000| |5.485815|6.815487|8.779840|0.173434|17.531571|6.752558|7.483571|4.959316|9.179215|3.751030|4.343223|3.120348|3.626575|2.423077|2.741634|4.637742|2.260810|2.003934|2.468029|1.887613|2.083080|1.633594|2.756454|1.539608|1.511590|1.409668|1.344639|1.363452|1.453512|10.193546|9.918460|2.382156|2.310514|2.054864|1.905924|1.946529|2.157872|0.122507|0.129933|0.170209|0.140632|0.204372|0.500000| |6.703276|6.711252|8.751055|0.214322|17.572882|5.473633|6.497684|4.060331|6.873286|3.365946|3.829054|2.723649|3.154415|2.140716|2.424376|4.152349|1.972681|1.783657|2.243429|1.737025|1.899975|1.493269|2.545014|1.401476|1.376685|1.284730|1.225542|1.242276|1.323723|9.316407|9.069287|2.095897|2.002314|1.810527|1.717654|1.776555|1.955119|0.136992|0.173175|0.226702|0.138029|0.166104|0.301261|0.500000| |4.618383|5.450844|8.775055|0.211295|17.574418|6.937153|9.654528|6.114388|9.820696|4.802213|5.142846|3.610182|3.968495|2.647070|3.087627|5.173446|2.370284|2.098779|2.622223|2.057980|2.298135|1.719817|2.921736|1.591914|1.552489|1.431030|1.358685|1.384086|1.491764|10.292710|9.928858|2.556576|2.386806|2.105765|1.987995|2.084051|2.353177|0.102595|0.123165|0.135844|0.123131|0.140446|0.301911|0.302806|0.500000| |4.670601|7.178387|8.828723|0.211694|5.495717|17.542136|12.512544|6.057533|9.504035|4.366065|4.739578|2.968967|3.579866|2.635562|3.229050|6.055034|2.509153|2.347618|2.834652|2.162142|2.266468|1.821356|3.008093|1.717966|1.737847|1.606368|1.487871|1.474478|1.572928|10.719005|10.908259|2.235298|2.119515|1.850195|1.715657|1.774988|2.007651|0.113298|0.123137|0.111896|0.226621|0.176781|0.140014|0.122875|0.140578|0.500000| |4.471517|6.795086|8.803588|0.174084|6.920544|17.639566|12.670495|7.562229|14.145287|4.729185|5.291561|3.452336|4.113444|2.899665|3.482695|6.175932|2.767220|2.479950|2.947427|2.229639|2.407991|1.899334|3.132117|1.793346|1.790998|1.656043|1.549144|1.549676|1.656799|11.329466|11.324194|2.559374|2.462049|2.121337|1.933371|1.979409|2.246175|0.107605|0.110757|0.116119|0.173233|0.202311|0.202826|0.140166|0.174584|0.302911|0.500000| |3.584896|4.529948|6.642862|0.198316|5.399734|9.049422|26.055131|9.431753|10.873299|7.622159|6.684031|3.870355|4.322218|3.173152|4.164698|7.656966|2.797658|2.574814|3.189626|2.556485|2.753483|2.015749|3.369738|1.838335|1.822565|1.649262|1.526030|1.534365|1.669906|11.111260|11.000375|2.611889|2.358600|2.033162|1.919744|2.048790|2.381697|0.085330|0.101410|0.092689|0.124303|0.111840|0.126860|0.122082|0.170058|0.218778|0.180532|0.500000| |2.623589|3.040990|3.998628|0.111543|4.194864|4.605004|9.401920|8.917377|11.304983|17.541578|12.559966|7.022820|6.418707|4.362769|5.825872|8.978308|3.403156|2.941359|3.747042|3.170461|3.754594|2.351698|4.005355|2.064877|1.972118|1.751593|1.638141|1.689135|1.883020|12.266303|11.593704|3.696127|3.089504|2.594530|2.492219|2.780214|3.414673|0.064087|0.073096|0.072334|0.079968|0.080556|0.106582|0.100009|0.147390|0.109776|0.118600|0.195522|0.500000| |2.513230|2.975369|3.782507|0.106609|3.581329|4.738348|9.930926|8.842319|10.730502|17.616348|12.668237|5.643870|6.048901|4.735081|7.417576|13.524536|3.767663|3.418826|4.283573|3.657554|4.063056|2.592098|4.318756|2.264745|2.204285|1.932970|1.770386|1.800159|2.012146|12.809923|12.434551|3.384841|2.873572|2.403203|2.283167|2.514656|3.068475|0.062430|0.070240|0.067236|0.081784|0.078497|0.092009|0.085583|0.115275|0.122080|0.119755|0.225569|0.302157|0.500000| |2.267227|2.609996|3.164077|0.081833|3.515346|3.625959|6.047171|6.290739|12.626363|6.918663|12.397723|17.604642|12.407294|5.891920|6.171824|8.153919|4.530236|3.421398|4.198531|3.375361|4.388681|2.679084|4.528024|2.365861|2.191372|1.948109|1.858697|1.960235|2.205803|14.364497|13.025893|6.691581|5.387624|4.069021|3.669202|4.015848|5.256053|0.056847|0.060728|0.064091|0.067796|0.073748|0.100601|0.084550|0.114909|0.087054|0.106829|0.109858|0.186389|0.140375|0.500000| |2.002654|2.247491|2.697951|0.072756|2.926554|3.006705|5.077012|4.816070|8.356220|6.446605|12.423090|17.468063|12.168301|6.276265|6.284152|8.176679|4.302679|3.398728|4.475403|3.870833|5.419604|2.859874|4.991722|2.428300|2.208973|1.936640|1.845991|1.967088|2.252571|14.390335|12.819383|7.021389|4.865628|3.886739|3.827822|4.654653|6.694700|0.050468|0.054803|0.056317|0.059252|0.062086|0.080466|0.072957|0.095456|0.074671|0.084398|0.099314|0.191180|0.142326|0.299938|0.500000| |1.845594|2.144374|2.396050|0.062310|2.382297|2.889632|4.417911|4.062640|8.206633|4.133878|7.327528|5.156684|9.522283|8.843688|7.109729|11.042439|17.559385|8.833264|7.627869|4.935352|5.510411|4.423497|6.524152|4.036584|3.782736|3.193940|2.914841|3.023277|3.499848|20.405692|19.252486|5.332112|5.189105|3.855213|3.228961|3.258839|3.953919|0.048127|0.049244|0.050441|0.058939|0.061571|0.068634|0.058507|0.070510|0.076863|0.086980|0.082745|0.096362|0.106783|0.131808|0.113704|0.500000| |1.611911|1.826766|2.026672|0.053446|2.052521|2.346311|3.571354|3.178846|6.175222|3.403679|6.072887|4.737182|9.820676|8.929102|5.543416|8.373073|17.543678|8.894201|9.383922|5.691580|6.722302|5.921069|8.688685|5.120701|4.256284|3.497577|3.308617|3.665154|4.555801|24.544074|21.006216|6.677290|6.593283|4.870593|4.045777|4.058779|4.911411|0.042183|0.043313|0.044439|0.049954|0.052136|0.058816|0.051458|0.061029|0.062312|0.069248|0.068557|0.083860|0.088581|0.116899|0.112063|0.302692|0.500000| |1.687717|1.940330|2.149093|0.057639|2.064312|2.574178|3.964853|3.392264|6.138340|3.668708|6.024124|3.794251|6.121515|6.593745|6.401541|13.452207|8.817010|17.633075|12.519489|7.117119|5.731791|5.802962|7.849883|5.038033|5.149537|3.928535|3.266571|3.234969|3.819304|20.545723|20.845155|3.657056|3.354517|2.776058|2.521423|2.638526|3.121694|0.044300|0.045835|0.045439|0.054654|0.054414|0.057694|0.051485|0.060726|0.071463|0.073821|0.078357|0.085929|0.105475|0.093147|0.091806|0.214863|0.174156|0.500000| |1.535946|1.745071|1.898224|0.050493|1.854508|2.220154|3.311979|2.807825|5.272980|2.939494|4.800014|3.322090|5.636341|5.466739|4.567899|8.326364|8.900528|17.676590|12.378211|5.673142|4.902867|7.198131|8.878204|7.455137|7.426218|5.363930|4.416164|4.417883|5.364391|26.316154|26.313306|3.679610|3.609554|3.043833|2.702632|2.727182|3.114493|0.040634|0.041438|0.041701|0.048813|0.049561|0.052609|0.046688|0.054080|0.061152|0.064771|0.064677|0.071468|0.081382|0.083982|0.081391|0.212454|0.219388|0.302933|0.500000| |1.603080|1.807964|2.040072|0.056160|1.985678|2.370418|3.787509|3.201477|5.444256|3.865489|6.454805|4.007499|6.132603|6.714682|6.630944|13.080376|5.849380|7.191917|12.578823|17.603225|8.810263|5.909082|9.271370|4.277565|3.979209|3.096709|2.698304|2.784460|3.376439|18.389423|17.524351|3.715792|3.134602|2.661561|2.565930|2.852112|3.462238|0.041737|0.044273|0.043374|0.050556|0.049696|0.054269|0.050174|0.059656|0.065007|0.065630|0.078031|0.094072|0.115729|0.092484|0.104538|0.131503|0.133376|0.216762|0.145706|0.500000| |1.424514|1.580059|1.763912|0.048572|1.748447|1.993243|3.117124|2.603753|4.514720|3.079529|5.098290|3.514614|5.547528|5.465254|4.636656|8.096793|4.908392|5.693501|12.510162|17.683250|8.849064|7.625003|14.452521|4.807070|4.073845|3.155833|2.838421|3.054111|3.868788|20.270293|18.136176|3.717606|3.140645|2.770183|2.764884|3.128722|3.699567|0.037247|0.039349|0.038882|0.043862|0.043594|0.048036|0.044782|0.052429|0.054241|0.055480|0.063962|0.078789|0.088592|0.082047|0.096056|0.108269|0.127145|0.145564|0.127399|0.301564|0.500000| |1.518514|1.689967|1.906569|0.051647|1.946791|2.151049|3.384348|2.958769|5.325142|3.510941|6.397678|5.068694|9.471541|8.851543|5.556710|8.134610|6.725977|5.713863|9.500039|8.923108|17.580989|6.165689|11.366684|4.321049|3.495892|2.845766|2.698563|3.026359|3.847271|20.991971|17.463569|6.864521|5.087354|4.229812|4.224412|5.079449|6.833490|0.039453|0.041534|0.041974|0.046097|0.047155|0.054278|0.049531|0.059132|0.056936|0.061075|0.067509|0.090669|0.093575|0.112759|0.137839|0.138077|0.194813|0.132391|0.128376|0.174162|0.217176|0.500000| |1.646456|1.838733|2.118339|0.058200|2.150122|2.402207|3.925500|3.451228|5.888423|4.482330|8.409901|5.987388|9.154045|8.762011|7.167153|10.194701|5.497878|4.891024|7.629384|8.834565|17.517414|4.539852|8.141380|3.393968|2.970634|2.458154|2.283827|2.458837|2.972042|17.203910|15.209723|5.551013|4.054222|3.375291|3.396687|4.137171|5.638736|0.042391|0.045459|0.045314|0.050201|0.050570|0.058781|0.054483|0.066421|0.063388|0.066681|0.080110|0.116073|0.122633|0.124262|0.172622|0.123580|0.138073|0.128455|0.107810|0.212537|0.212220|0.302540|0.500000| |1.335015|1.491530|1.598881|0.043250|1.545814|1.828382|2.692108|2.180331|3.951145|2.301975|3.552317|2.437889|3.841954|3.500028|3.192134|6.106660|4.309640|6.439894|9.203411|4.661199|3.616635|6.891826|8.942314|8.899912|17.738566|8.958143|5.654552|4.955787|5.653052|27.418661|31.779353|2.614554|2.536493|2.281766|2.129467|2.171530|2.389565|0.035618|0.036376|0.036074|0.042166|0.041912|0.043316|0.039542|0.044723|0.051289|0.052179|0.053939|0.057543|0.065851|0.062079|0.062702|0.107800|0.113858|0.169297|0.213648|0.125173|0.119979|0.096441|0.085762|0.500000| |1.202444|1.330536|1.397376|0.037636|1.353853|1.572663|2.251289|1.790301|3.287074|1.833191|2.753345|1.939015|2.997071|2.538661|2.346786|4.382839|3.060151|3.830678|5.109424|2.953268|2.543049|4.076613|6.086988|5.642185|8.917009|17.753889|8.959951|5.659915|4.967675|31.482734|54.675666|2.111112|2.133113|1.986103|1.847606|1.830737|1.945360|0.032420|0.032617|0.032554|0.037656|0.037682|0.038239|0.034928|0.038662|0.044269|0.045216|0.044845|0.046598|0.051767|0.050861|0.050232|0.081433|0.085081|0.101335|0.128871|0.079379|0.078553|0.070120|0.062483|0.215489|0.500000| |1.197550|1.314647|1.414622|0.038061|1.422394|1.569740|2.310798|1.905158|3.530278|2.030917|3.234451|2.454831|4.072652|3.349019|2.712544|4.612016|3.928452|4.274774|6.714749|3.906693|3.650815|7.185380|12.853567|8.938809|5.660144|4.969040|5.656995|8.948083|17.767484|54.535751|31.466817|3.171725|3.238294|3.164571|3.030450|2.970687|3.035552|0.031848|0.032513|0.033008|0.036311|0.037216|0.040305|0.036782|0.041536|0.042685|0.045233|0.045812|0.052747|0.055426|0.062828|0.065065|0.093956|0.128014|0.097136|0.128822|0.091189|0.108901|0.115857|0.085898|0.124289|0.107852|0.500000| |1.728245|1.947980|2.163726|0.055888|2.294336|2.442627|3.636828|3.277405|6.797407|3.312268|5.662130|5.215837|9.941455|5.475664|4.228343|6.192333|5.879558|4.065138|4.814141|3.389785|4.208314|3.294701|5.442506|3.062685|2.716011|2.445178|2.425038|2.659890|3.011778|19.760419|16.688180|8.962272|17.733680|8.891192|5.640074|4.961465|5.664690|0.045008|0.045818|0.048622|0.051914|0.056606|0.067781|0.057496|0.068454|0.062689|0.074097|0.067846|0.085347|0.081019|0.149139|0.122175|0.171017|0.196895|0.098774|0.108105|0.085732|0.082762|0.124142|0.102767|0.072863|0.061894|0.087641|0.500000| |1.463469|1.602993|1.745156|0.045654|1.866764|1.893883|2.760003|2.357279|4.661616|2.407006|3.864682|3.441976|5.694320|3.475336|2.837159|4.376039|3.601723|2.905088|3.743790|2.649012|3.138782|2.764662|4.825093|2.644284|2.315096|2.155015|2.232893|2.522058|2.782865|20.153671|15.774778|5.632757|8.925916|17.716661|8.912694|5.650355|4.957944|0.038461|0.038991|0.041535|0.042671|0.046409|0.054859|0.048144|0.055116|0.049089|0.056401|0.052639|0.064737|0.060570|0.097588|0.090351|0.098313|0.119800|0.071345|0.079810|0.066414|0.068599|0.097790|0.079850|0.060613|0.054400|0.084529|0.214562|0.500000| |1.334657|1.439298|1.575997|0.041966|1.691741|1.679989|2.479532|2.083023|3.952365|2.209286|3.509977|3.127765|4.904458|3.060154|2.534512|3.926884|2.941849|2.493310|3.426850|2.538893|3.031383|2.584854|4.775637|2.389694|2.067763|1.911719|1.980647|2.256979|2.523219|18.317478|14.023859|4.928886|5.642432|8.909143|17.717795|8.908735|5.642605|0.034994|0.036006|0.037959|0.038328|0.041028|0.048724|0.044288|0.050454|0.043646|0.048853|0.048288|0.061154|0.056282|0.085408|0.088642|0.076818|0.093950|0.062035|0.066860|0.063082|0.068442|0.097683|0.080527|0.054424|0.048303|0.078912|0.123962|0.214611|0.500000| 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