Version2.1 2020-12-27T05:21:02Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc(cc(c1)[N+](=O)[O-])C(=O)NCC[NH+]2CCN(CC2)c3nc(ns3)Cc4ccc(cc4)Cl C16492840 RHF 6-31G(d) (6D,7F) c1cc(cc(c1)[N+](=O)[O-])C(=O)NCC[NH+]2CCN(CC2)c3nc(ns3)Cc4ccc(cc4)Cl C01[X(C22H24Cl1N6O3S1)] 165 C1 551 Clc1ccc(cc1)Cc1nsc(n1)N1CC[NH+](CC1)CCNC(=O)c1cccc(c1)[N+](=O)[O-] Clc1ccc(cc1)Cc1nsc(n1)N1CC[NH+](CC1)CCNC(=O)c1cccc(c1)[N+](=O)[O-] [O-][N+](=O)c1cccc(c1)C(=O)NCC[NH+]2CCN(CC2)c3snc(Cc4ccc(Cl)cc4)n3 InChIKey=ADFMTVKSVZEFBD-UHFFFAOYSA-O InChI=1S/C22H23ClN6O3S/c23-18-6-4-16(5-7-18)14-20-25-22(33-26-20)28-12-10-27(11-13-28)9-8-24-21(30)17-2-1-3-19(15-17)29(31)32/h1-7,15H,8-14H2,(H,24,30)/p+1 InChI=1/C22H23ClN6O3S/c23-18-6-4-16(5-7-18)14-20-25-22(33-26-20)28-12-10-27(11-13-28)9-8-24-21(30)17-2-1-3-19(15-17)29(31)32/h1-7,15H,8-14H2,(H,24,30)/p+1/fC22H24ClN6O3S/h24,27H/q+1 c1cc(cc(c1)[N+](=O)[O-])C(=O)NCC[NH+]2CCN(CC2)c3nc(ns3)Cc4ccc(cc4)Cl C01[X(C22H24Cl1N6O3S1)] 165 C01 551 Clc1ccc(cc1)Cc1nsc(n1)N1CC[NH+](CC1)CCNC(=O)c1cccc(c1)[N+](=O)[O-] Cl[C]1[CH][CH][C]([CH][CH]1)C[C]1=NS[C]([N]1)[N@@]1CC[NH](CC1)CCNC(=O)[C]1[CH][CH][CH][C]([CH]1)[N]([O])[O] [O]N([O])[C]1[CH][CH][CH][C]([CH]1)C(=O)NCC[NH]2CCN(CC2)[C]3[N]C(=NS3)C[C]4[CH][CH][C](Cl)[CH][CH]4 InChIKey=DNLPBODKUXAGEJ-UHFFFAOYSA-N InChI=1S/C22H24ClN6O3S/c23-18-6-4-16(5-7-18)14-20-25-22(33-26-20)28-12-10-27(11-13-28)9-8-24-21(30)17-2-1-3-19(15-17)29(31)32/h1-7,15,27H,8-14H2,(H,24,30) InChI=1/C22H24ClN6O3S/c23-18-6-4-16(5-7-18)14-20-25-22(33-26-20)28-12-10-27(11-13-28)9-8-24-21(30)17-2-1-3-19(15-17)29(31)32/h1-7,15,27H,8-14H2,(H,24,30)/f/h24H 3359.8386422144 -2255.0404982 1-A 34670.4069 127 424 551 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1.6198 5.0046 5.3422 11.3567 34.1591 62.7495 1.8895 3.7967 1.2297 2.0478 7.1671 2.2742 5.5962 0.2240 0.6934 0.4583 0.2169 1.4323 0.5608 0.1441 1.4643 0.4920 1.3499 2.4740 1.7539 0.7147 1.1683 0.5709 0.7629 1.0149 1.7980 1.8158 3.4843 2.1555 0.3138 0.8515 0.3888 2.9575 0.7328 5.4222 0.2415 0.5473 1.4222 1.0441 5.3026 0.6990 2.1075 0.2859 1.6834 0.8402 0.3331 8.7536 6.5841 5.2740 4.5625 5.2114 3.6128 2.5265 1.8303 6.8153 0.5041 5.7113 2.4865 11.8766 2.4566 3.8257 2.7583 24.4752 3.9136 0.6329 5.5348 2.1831 2.8881 1.8833 2.9400 1.1745 1.2745 4.7426 3.6717 2.2903 20.3706 8.9750 10.1747 0.9470 5.7710 0.7899 1.7049 4.4153 0.2254 8.3833 3.2446 6.4047 1.2652 2.8942 13.9756 3.6447 4.0422 5.9459 2.4091 5.1781 16.2681 1.3655 4.1698 10.3587 4.8219 1.7828 1.4647 8.2247 31.9298 7.5844 4.9445 4.8907 13.3995 1.6502 7.3088 4.5443 10.4783 13.4949 4.8503 3.6840 2.6735 1.2742 0.5896 4.3254 4.7989 1.8195 3.2661 6.6631 16.9798 13.9498 9.0745 5.2017 43.1890 8.8843 6.5980 11.5281 24.4382 0.5581 76.1635 4.2230 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12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 31.97207 12.00000 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 9533.3717 60571.1374 62115.4885 0.99998 0.00568 0.00318 -0.00571 0.99995 0.00772 -0.00313 -0.00774 0.99997 1 0.00909 0.00143 0.00139 0.18931 0.02980 0.02905 9.35 16.01 24.09 32.65 38.60 50.97 59.82 74.88 85.84 92.97 109.03 140.04 179.00 190.25 238.92 255.39 266.97 285.12 336.40 352.39 360.87 381.92 399.28 442.72 456.26 479.76 493.38 508.60 527.86 579.65 596.70 620.72 635.64 649.29 660.96 676.68 690.42 715.16 733.84 745.70 751.80 803.39 812.30 850.13 880.37 928.76 972.59 1003.64 1018.28 1032.39 1052.94 1055.71 1122.73 1136.43 1149.82 1183.32 1192.07 1214.96 1259.92 1268.72 1280.11 1300.45 1301.90 1332.33 1351.41 1362.46 1388.72 1398.79 1441.14 1465.11 1498.64 1513.26 1557.12 1563.58 1571.43 1574.77 1576.86 1589.21 1591.98 1603.03 1624.63 1638.76 1641.47 1660.69 1668.23 1690.81 1712.77 1733.86 1737.72 1763.57 1778.49 1798.72 1806.33 1814.58 1847.31 1878.56 1886.67 1889.08 1911.19 1936.94 1937.57 1953.31 2017.73 2033.57 2050.35 2074.74 2092.18 2095.20 2097.71 2125.30 2134.95 2144.42 2177.75 2186.53 2224.51 2227.74 2258.00 2266.24 2274.26 2290.07 2299.78 2313.51 2334.45 2336.23 2354.39 2357.04 2362.54 2372.54 2377.16 2383.07 2384.63 2408.73 2431.54 2436.68 2548.70 2561.31 2581.05 2595.04 2601.78 2704.91 2768.59 4562.54 4569.69 4663.69 4666.47 4714.55 4733.22 4748.47 4750.59 4753.62 4766.93 4808.67 4822.27 4844.54 4845.16 4854.83 4861.85 4867.69 4892.83 4896.67 4897.96 4950.76 4971.74 5288.06 5597.46 0.490972 0.518659 0.519603 0.424695 -2254.549527 -2254.521839 -2254.520895 -2254.615803 3.183230D-04 MUNgauss RevisionA2.0 retrievium 27-Dec-2020 DUDE c1cc(cc(c1)[N+](=O)[O-])C(=O)NCC[NH+]2CCN(CC2)c3nc(ns3)Cc4ccc(cc4)Cl C16492840 RHF 6-31G(d) (6D,10F) C1 487.131913 |X|Y|Z| 54.805589 48.060226 171.338190 76.704636 28 6 7 16 22 5 1 |36.858105| |13.765899|36.858105| |7.902168|13.683177|36.858105| |6.842742|7.921980|13.721217|36.858105| |8.002267|6.949797|8.002626|13.820279|36.858105| |13.761534|7.944222|6.840859|7.876046|13.771122|36.858105| |5.126620|4.533640|5.130114|7.799044|13.040485|7.770635|53.358707| |4.097244|3.915778|4.692038|7.126270|8.392215|5.426193|21.749801|73.516695| |4.686563|3.916102|4.098900|5.440702|8.397755|7.101978|21.775536|15.991522|73.516695| |5.012688|7.502479|12.774866|7.762363|5.114985|4.456404|5.297249|6.832195|5.698405|36.858105| |4.002467|5.279936|8.053669|6.809182|4.571582|3.813756|5.103680|6.958391|5.445434|15.807689|73.516695| |4.427503|6.503342|7.776637|5.199550|3.960339|3.740150|4.261125|5.428369|4.791961|13.952974|15.226640|53.358707| |3.316684|4.358934|5.053496|3.944994|3.132765|2.935442|3.574033|4.677132|4.077985|7.910488|12.749700|17.981170|36.858105| |2.948393|3.740053|4.244745|3.464920|2.814274|2.644126|3.278705|4.318312|3.774412|6.133276|11.203668|10.561461|12.376602|36.858105| |2.453619|2.972483|3.397041|2.970235|2.456049|2.275813|2.965324|3.988731|3.430848|4.598773|9.230698|6.992852|7.545905|12.649890|53.358707| |2.334573|2.805652|3.173385|2.790789|2.329651|2.167945|2.828163|3.804116|3.287395|4.216864|8.216869|6.601494|7.471270|9.279679|25.677360|0.500000| |2.436364|2.910212|3.466655|3.179184|2.590201|2.327831|3.186674|4.395859|3.640487|4.664619|10.522311|6.270544|5.912252|7.608099|17.186323|0.257812|36.858105| |2.051930|2.373763|2.751181|2.607709|2.198579|1.988674|2.781726|3.866778|3.224469|3.447304|7.374827|4.656406|4.211043|4.960799|10.427059|0.199414|12.540791|36.858105| |1.876307|2.147444|2.418063|2.278239|1.962605|1.807157|2.488032|3.417824|2.923279|2.942610|6.026431|4.058652|3.601338|4.462803|9.095761|0.169025|7.847816|13.170996|53.358707| |1.874870|2.159074|2.380304|2.188527|1.895598|1.775481|2.372429|3.209537|2.804913|2.904248|5.714832|4.193255|3.836509|4.963504|10.436697|0.199995|6.610476|7.827396|17.903195|36.858105| |2.151426|2.535204|2.793410|2.488609|2.125252|2.001000|2.603337|3.484840|3.060133|3.518016|6.832346|5.248510|4.984031|7.621138|17.249630|0.259564|7.728493|6.609359|10.669938|12.542693|36.858105| |1.670726|1.876935|2.090563|2.006409|1.760443|1.625471|2.267848|3.125665|2.688728|2.460692|4.969474|3.352988|2.864669|3.381895|6.141642|0.119112|5.174146|7.781093|18.898855|7.911778|5.209992|36.858105| |1.536859|1.712829|1.875029|1.793646|1.594811|1.489922|2.056843|2.811932|2.461220|2.171000|4.278512|2.995755|2.533276|2.975527|5.169682|0.101772|4.007314|5.265191|11.117505|6.920497|4.616249|14.871774|53.358707| |1.411921|1.554648|1.696485|1.645534|1.479011|1.381070|1.930447|2.648737|2.322650|1.928222|3.787560|2.628449|2.173436|2.480019|4.123471|0.081808|3.261915|4.152913|7.439564|4.629454|3.479952|8.800273|18.819534|36.858105| |1.413459|1.550153|1.705364|1.675692|1.506460|1.395299|1.984238|2.746345|2.382926|1.929369|3.829971|2.589291|2.119736|2.378405|3.918738|0.077703|3.235144|4.180180|6.870695|4.007632|3.151098|7.868013|11.307437|14.888606|53.358707| |1.589511|1.761210|1.974839|1.946167|1.721233|1.573079|2.260785|3.159102|2.682953|2.275640|4.638517|3.015065|2.493963|2.808168|4.779894|0.093793|4.258442|6.064151|9.408222|4.698455|3.687726|10.979593|10.297467|7.914088|15.541348|388.023441| |1.287610|1.406473|1.514793|1.467995|1.334384|1.257589|1.745072|2.378946|2.116715|1.697951|3.279775|2.329583|1.904959|2.152370|3.462147|0.069178|2.644249|3.172677|5.402104|3.703599|2.932189|5.333942|10.431372|12.671440|10.665234|35.025374|36.858105| |1.284097|1.399370|1.496290|1.445410|1.319471|1.250518|1.721413|2.334039|2.094517|1.666898|3.198589|2.287808|1.852002|2.119075|3.338115|0.065532|2.510771|2.884000|4.919767|3.492318|2.886682|4.521614|8.378160|7.610786|7.521935|28.698045|12.549681|36.858105| |1.274477|1.381060|1.477451|1.438349|1.318962|1.248025|1.730543|2.350654|2.109552|1.631242|3.138112|2.212137|1.764551|2.014060|3.117316|0.060453|2.387827|2.690622|4.453090|3.070327|2.643850|3.998224|6.669543|5.988215|6.925744|27.269516|7.552806|13.700726|36.858105| |1.255723|1.355020|1.437935|1.397320|1.289058|1.227277|1.689366|2.281977|2.068093|1.574305|3.002970|2.136155|1.685929|1.928481|2.918504|0.056211|2.205049|2.402244|3.903858|2.765653|2.478842|3.308397|5.275087|4.290523|5.149302|22.209562|5.010706|7.891278|13.774546|36.858105| |1.246632|1.346862|1.417478|1.365396|1.261366|1.209712|1.642675|2.204315|2.015137|1.551910|2.930512|2.129298|1.683904|1.934621|2.903342|0.056049|2.136159|2.290925|3.736163|2.762153|2.507228|3.064671|4.933554|3.777708|4.408929|19.681132|4.436401|6.862090|7.979098|13.762826|36.858105| |1.254741|1.362728|1.432686|1.370058|1.260711|1.211079|1.633426|2.188460|2.000447|1.580687|2.975634|2.194036|1.757033|2.024341|3.073612|0.059912|2.218377|2.400822|3.987720|3.049317|2.706312|3.270837|5.494346|4.083569|4.535061|20.134688|5.000005|7.892719|6.883513|7.922865|13.792500|36.858105| |1.273696|1.389461|1.472144|1.409182|1.289101|1.231344|1.671263|2.249916|2.038713|1.638746|3.108098|2.276788|1.846579|2.123967|3.308577|0.065124|2.405756|2.690100|4.581057|3.472528|2.924634|3.936147|7.135103|5.470168|5.622363|23.709967|7.526930|13.739105|7.977354|6.883873|7.979418|13.745079|36.858105| |1.205668|1.293136|1.347124|1.297580|1.209345|1.168726|1.575533|2.101234|1.944540|1.456691|2.722259|1.997599|1.557171|1.777446|2.596350|0.050015|1.894625|1.975830|3.126690|2.335079|2.208129|2.468144|3.790922|2.830276|3.444088|16.082310|3.156364|4.216887|4.773011|7.036875|10.939269|7.042307|4.771999|448.794386| |17.747968|8.923178|5.631549|4.938735|5.675569|8.934299|5.660302|6.048583|7.167668|4.078600|5.941895|5.227062|2.980617|2.686704|3.061209|0.059764|2.200465|1.877715|2.367844|1.754611|2.007069|1.558499|1.969083|1.331983|1.807220|10.510885|1.223779|1.224844|1.214999|1.202227|1.199202|1.207930|1.221056|9.365837|0.500000| |8.984022|17.724816|8.858096|5.629558|4.992929|5.665726|4.914374|5.719209|5.726381|6.848064|8.593297|9.728260|4.706496|4.026692|4.213091|0.081343|2.914142|2.370632|2.956311|2.228295|2.658451|1.887863|2.361286|1.564228|2.103846|12.407881|1.420662|1.417987|1.392198|1.369196|1.370893|1.394443|1.418877|10.584843|0.217067|0.500000| |4.942949|5.636536|8.893002|17.801940|8.933689|5.628213|9.789031|14.248530|8.845208|7.214860|13.487386|6.545825|3.900141|3.475852|4.204685|0.080513|3.453383|2.840093|3.308691|2.285422|2.563170|2.142432|2.575520|1.740415|2.435745|14.992088|1.538856|1.505566|1.500714|1.448365|1.404792|1.407194|1.455704|10.640622|0.107397|0.123701|0.500000| |8.874485|5.640636|4.940636|5.635046|8.939403|17.782932|9.782161|8.838008|14.228662|3.563882|5.607715|4.217861|2.522778|2.305024|2.747617|0.053677|2.064106|1.794975|2.239629|1.616488|1.801924|1.495558|1.877713|1.287500|1.772384|10.353661|1.179433|1.174647|1.175417|1.159043|1.142535|1.141053|1.156987|8.902230|0.213724|0.124342|0.124308|0.500000| |4.799636|7.151356|7.292075|4.871184|3.913626|3.872857|4.169571|5.192313|4.768968|9.324386|10.952827|26.076626|9.087123|5.893997|5.722107|0.114027|3.749798|2.939211|3.558546|2.728165|3.335086|2.204185|2.720609|1.769450|2.368192|14.187928|1.586662|1.560961|1.508688|1.462830|1.464651|1.510785|1.561487|11.106152|0.118094|0.240921|0.120285|0.089334|0.500000| |3.087980|3.930286|4.752488|3.944681|3.103215|2.829561|3.617561|4.836899|4.095364|7.301906|13.428897|12.475980|17.575882|8.775475|10.121416|0.222028|6.621172|4.737392|5.169549|3.884846|4.728019|3.013121|3.556450|2.250800|3.025575|18.962156|1.950175|1.867582|1.776555|1.679406|1.661962|1.733134|1.840696|12.232175|0.076470|0.112107|0.113018|0.067917|0.192675|0.500000| |3.078067|3.934069|4.253862|3.385617|2.801871|2.696903|3.228701|4.184801|3.749541|5.812592|9.165264|12.623643|17.613290|8.822972|8.509578|0.188597|4.735548|3.684056|4.447950|3.605799|4.574184|2.651909|3.262302|2.062172|2.713135|16.339917|1.831963|1.780428|1.683579|1.611765|1.623346|1.707461|1.793293|12.088295|0.078877|0.121902|0.091568|0.065342|0.235411|0.302690|0.500000| |2.785518|3.471602|3.716450|3.042758|2.554785|2.464162|2.987773|3.887783|3.494621|4.918495|8.490340|8.664418|8.765101|17.636431|12.365453|0.210146|5.635545|4.174463|5.497959|4.791331|7.566273|3.149936|3.907412|2.390068|3.068095|18.367908|2.114001|2.107368|1.991279|1.925519|1.961684|2.069960|2.151824|14.582522|0.072166|0.107293|0.083113|0.060353|0.149339|0.176193|0.226783|0.500000| |3.176095|4.062347|4.728231|3.848373|3.077348|2.860616|3.556446|4.685632|4.059725|6.899065|13.174872|10.278146|8.772915|17.696207|12.423050|0.183146|7.448612|4.746018|5.848297|4.502525|6.589157|3.318128|3.951777|2.450399|3.231031|20.028817|2.123613|2.114772|2.043694|1.972018|1.965537|2.025966|2.104209|14.598908|0.079355|0.119058|0.107359|0.068703|0.155844|0.192986|0.176383|0.301644|0.500000| |2.508431|2.985260|3.563276|3.294915|2.685821|2.406242|3.305192|4.558971|3.769222|4.694157|10.773850|6.026759|5.198268|7.031836|12.430197|0.181851|17.647420|8.843984|9.598936|5.866351|7.119857|4.965594|5.320707|3.227588|4.373411|29.753377|2.630341|2.558119|2.483897|2.321147|2.237060|2.286616|2.443049|16.030439|0.062765|0.082461|0.099481|0.059217|0.100132|0.149969|0.115915|0.150009|0.226811|0.500000| |2.644150|3.194068|3.953892|3.648548|2.888396|2.544534|3.533480|4.923215|3.976375|5.552855|13.536193|7.136119|6.644997|7.107599|12.274397|0.220788|17.686717|8.782724|7.679987|4.932466|5.617764|4.185781|4.556973|2.840316|3.912171|26.552983|2.347273|2.220403|2.128603|1.975960|1.911511|1.973486|2.126391|13.776073|0.065376|0.087250|0.112788|0.062051|0.115919|0.233911|0.140976|0.142670|0.193517|0.302332|0.500000| |2.010580|2.296721|2.685558|2.619711|2.216996|1.980678|2.852289|4.024487|3.297677|3.285106|7.161408|4.267181|3.663510|4.140446|7.629280|0.145343|9.052826|17.628160|12.427792|5.667925|4.969774|7.271631|6.653526|4.143462|6.064538|50.732829|3.129765|2.828391|2.702766|2.398749|2.242228|2.306743|2.575267|15.542581|0.050901|0.062724|0.080778|0.049846|0.075365|0.114750|0.088850|0.097673|0.115318|0.217778|0.213356|0.500000| |1.977691|2.280315|2.623718|2.485004|2.108151|1.915072|2.673001|3.709571|3.110190|3.265488|6.801206|4.508685|4.157043|4.562988|9.250741|0.207170|8.817766|17.465002|12.307104|6.885780|5.691158|6.499114|6.502089|3.870559|5.295073|38.076835|3.026378|2.693020|2.476265|2.206344|2.119638|2.245287|2.532650|14.725135|0.050453|0.063442|0.074860|0.048156|0.080344|0.134691|0.104241|0.108581|0.115735|0.173092|0.213159|0.302544|0.500000| |1.743750|1.984348|2.155198|1.992543|1.750540|1.652948|2.202897|2.968382|2.625512|2.564142|4.966928|3.684055|3.248079|4.124928|7.606725|0.145365|4.969726|5.690426|12.529268|17.676405|8.954458|7.549567|10.962358|5.117081|5.645949|31.840560|4.221261|4.114849|3.502789|3.152326|3.210546|3.651723|4.227969|21.274351|0.045689|0.057013|0.057419|0.042099|0.067670|0.089634|0.086181|0.115431|0.107316|0.132137|0.108880|0.127669|0.141449|0.500000| |1.806390|2.074653|2.274578|2.090487|1.818461|1.709036|2.279257|3.079736|2.702530|2.763029|5.355673|4.056692|3.773405|4.572935|9.285036|0.208646|5.705156|6.908408|12.323417|17.465097|8.840495|6.583189|8.236300|4.284223|5.086719|30.439278|3.524417|3.221001|2.791584|2.505836|2.515785|2.809119|3.229423|17.185971|0.047114|0.059638|0.060493|0.043325|0.074367|0.108167|0.101894|0.123919|0.110835|0.133420|0.127517|0.141170|0.200005|0.302734|0.500000| |2.109055|2.480714|2.663623|2.343580|2.025669|1.937925|2.469192|3.269957|2.925318|3.296435|6.128687|5.114193|4.854170|7.102008|12.342104|0.224656|5.620853|4.947060|7.692277|8.839701|17.625459|4.226377|5.428647|3.096990|3.781852|22.184392|2.714176|2.700716|2.454851|2.333858|2.411133|2.638699|2.815796|17.296589|0.055285|0.073618|0.065946|0.048645|0.092817|0.122741|0.132242|0.232865|0.161814|0.144909|0.126279|0.109050|0.127913|0.211159|0.216044|0.500000| |2.204131|2.588980|2.848849|2.547700|2.180782|2.053414|2.670872|3.569868|3.139874|3.538260|6.914923|5.112979|4.540380|7.045594|12.410353|0.182105|7.073195|5.826327|9.523880|8.816206|17.629190|4.973625|6.050154|3.426510|4.250609|25.820116|2.904074|2.949075|2.767858|2.639845|2.666595|2.822927|2.980968|19.015730|0.057073|0.075117|0.072751|0.051365|0.089928|0.117311|0.112929|0.194916|0.196657|0.215955|0.144684|0.131445|0.132568|0.215507|0.173041|0.299896|0.500000| |1.223885|1.328748|1.430756|1.397377|1.276817|1.201944|1.681414|2.298120|2.045095|1.590501|3.070706|2.167855|1.756252|1.955257|3.102447|0.062228|2.398045|2.856738|4.644572|3.132955|2.556088|4.464790|7.732598|9.052337|10.325827|32.668700|17.610393|8.845410|6.914798|4.656880|3.980533|4.248659|5.764673|23.531518|0.032325|0.037121|0.040776|0.031424|0.041162|0.050165|0.046909|0.053092|0.053810|0.066329|0.060138|0.080037|0.076403|0.095745|0.083820|0.065929|0.070482|0.500000| |1.263193|1.381407|1.481469|1.428105|1.298819|1.228840|1.693097|2.300396|2.056243|1.663102|3.188908|2.305506|1.898551|2.132596|3.434851|0.069740|2.564054|3.065081|5.180992|3.724599|2.919140|4.889432|9.519503|9.020535|8.253423|30.570145|17.572940|8.881487|5.603244|4.185365|3.985899|4.758615|7.262086|23.554224|0.033435|0.038929|0.041421|0.032016|0.043815|0.053956|0.051248|0.058652|0.057669|0.069676|0.063480|0.082157|0.083287|0.118635|0.102152|0.076496|0.078574|0.302065|0.500000| |1.269960|1.372659|1.476428|1.449282|1.329616|1.251430|1.755549|2.397748|2.138307|1.626007|3.148508|2.184880|1.735449|1.963661|3.040930|0.059020|2.381142|2.709993|4.389114|2.920519|2.520936|4.009584|6.373693|6.086704|7.832017|29.630843|7.016107|8.904419|17.706438|8.958405|5.670096|4.956647|5.659752|31.638678|0.033530|0.038208|0.042251|0.032769|0.041326|0.048911|0.045754|0.053326|0.055601|0.068910|0.059420|0.077396|0.069186|0.089786|0.074049|0.064341|0.073151|0.201501|0.141352|0.500000| |1.237442|1.328132|1.408339|1.376911|1.276364|1.214787|1.680878|2.272094|2.062826|1.529584|2.917270|2.059709|1.608870|1.828992|2.733596|0.052489|2.084473|2.243961|3.561000|2.493149|2.281291|2.970203|4.541729|3.677721|4.647302|20.613624|4.087093|5.623048|8.903792|17.747758|8.922660|5.645000|4.960049|53.785670|0.032918|0.037134|0.039662|0.031960|0.039230|0.044513|0.042588|0.050525|0.052399|0.061451|0.052359|0.062997|0.057138|0.077186|0.062834|0.059563|0.067947|0.110017|0.096248|0.215558|0.500000| |1.235671|1.340939|1.399516|1.331556|1.228682|1.187269|1.586655|2.115617|1.948033|1.539857|2.873042|2.153909|1.722649|1.980443|2.969693|0.058133|2.104345|2.241793|3.675244|2.888805|2.619140|2.922340|4.794542|3.451945|3.903985|17.870242|4.077438|5.624677|4.959705|5.643879|8.932892|17.745529|8.892415|53.823779|0.033185|0.038309|0.037776|0.031106|0.041421|0.046876|0.046872|0.056940|0.054777|0.059994|0.052250|0.059291|0.058712|0.095772|0.074818|0.072511|0.075523|0.098106|0.113045|0.107625|0.124272|0.500000| 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