Version2.1 2020-12-15T12:06:34Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 21-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)NC[C@H]([C@H]2CC=CS2)C3=c4ccccc4=[NH+]C3 C64173483 RHF 6-31G(d) (6D,7F) CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)NC[C@H]([C@H]2CC=CS2)C3=c4ccccc4=[NH+]C3 C01[X(C23H34N5O3S2)] 195 C1 571 CCN(S(=O)(=O)N1CCN(CC1)C(=O)NC[C@@H](C1=c2ccccc2=[NH+]C1)[C@H]1CC=CS1)CC CCN(S(=O)(=O)N1CCN(CC1)C(=O)NC[C@@H](C1=c2ccccc2=[NH+]C1)[C@H]1CC=CS1)CC CCN(CC)[S](=O)(=O)N1CCN(CC1)C(=O)NC[C@H]([C@H]2CC=CS2)C3=C4C=CC=CC4=[NH+]C3 InChIKey=CCIAOGXTUMXUGW-RBBKRZOGSA-O InChI=1S/C23H33N5O3S2/c1-3-27(4-2)33(30,31)28-13-11-26(12-14-28)23(29)25-17-20(22-10-7-15-32-22)19-16-24-21-9-6-5-8-18(19)21/h5-9,15,20,22H,3-4,10-14,16-17H2,1-2H3,(H,25,29)/p+1/t20-,22+/m0/s1 InChI=1/C23H33N5O3S2/c1-3-27(4-2)33(30,31)28-13-11-26(12-14-28)23(29)25-17-20(22-10-7-15-32-22)19-16-24-21-9-6-5-8-18(19)21/h5-9,15,20,22H,3-4,10-14,16-17H2,1-2H3,(H,25,29)/p+1/t20-,22+/m0/s1/fC23H34N5O3S2/h24-25H/q+1 CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)NC[C@H]([C@H]2CC=CS2)C3=c4ccccc4=[NH+]C3 C01[X(C23H34N5O3S2)] 195 C01 571 CCN(S(=O)(=O)N1CCN(CC1)C(=O)NC[C@@H](C1=c2ccccc2=[NH+]C1)[C@H]1CC=CS1)CC CCN([S@@]([O])(=O)N1CCN(CC1)C(=O)NC[C@@H](C1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1)[C@H]1CC=CS1)CC CCN(CC)[S]([O])(=O)N1CCN(CC1)C(=O)NC[C@H]([C@H]2CC=CS2)C3=C4C=CC=C[C]4NC3 InChIKey=YZOYQQXHZOUUKA-RBBKRZOGSA-N InChI=1S/C23H34N5O3S2/c1-3-27(4-2)33(30,31)28-13-11-26(12-14-28)23(29)25-17-20(22-10-7-15-32-22)19-16-24-21-9-6-5-8-18(19)21/h5-9,15,20,22,24H,3-4,10-14,16-17H2,1-2H3,(H,25,29)/t20-,22+/m0/s1 InChI=1/C23H34N5O3S2/c1-3-27(4-2)33(30,31)28-13-11-26(12-14-28)23(29)25-17-20(22-10-7-15-32-22)19-16-24-21-9-6-5-8-18(19)21/h5-9,15,20,22,24H,3-4,10-14,16-17H2,1-2H3,(H,25,29)/t20-,22+/m0/s1/f/h25H 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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| 10.6637 14.7641 23.0499 28.4362 35.4155 46.8422 53.5671 56.9587 60.7643 71.2349 90.0441 100.1651 102.7576 112.5503 130.5505 145.7686 154.6143 164.3616 175.9075 182.0060 215.9411 227.0804 228.3979 251.8725 259.5633 276.2973 283.0236 295.6292 307.4645 327.1789 349.8398 359.0390 376.8815 388.4687 390.1608 418.3679 434.1101 442.4521 453.1867 479.5618 498.8620 504.1529 507.2516 526.5117 534.7373 545.7225 549.0419 562.5388 581.2068 585.7004 600.8140 617.0122 635.1838 639.5666 656.2964 711.4708 720.2822 730.8509 737.0485 780.8109 794.5749 804.0831 806.1571 834.8818 842.6669 853.2134 853.9467 867.4900 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3248.7437 3250.7432 3258.8283 3260.4661 3265.2200 3265.4576 3273.0482 3276.5204 3280.3754 3284.6466 3291.6304 3297.5160 3320.7297 3322.3320 3323.8474 3326.2339 3336.9097 3357.2748 3358.0892 3387.2726 3395.6234 3402.6611 3409.3189 3421.0205 3434.3746 3879.3709 3909.8607 5.2587 4.6769 4.7879 5.2141 5.1618 3.0576 4.4157 4.2977 5.9510 4.3496 3.3989 4.2156 3.7354 6.8079 2.5769 3.7568 4.8720 4.0773 4.9080 4.0103 2.3534 1.1774 2.4876 2.0965 3.8989 3.4517 3.6286 3.2550 2.1853 3.5181 3.0042 3.5309 3.0993 2.5304 2.5449 2.6551 2.9874 2.7806 3.4179 2.6465 1.7309 3.3015 3.0554 3.2180 1.7980 4.2664 2.6573 2.5644 5.0380 4.8989 3.6748 4.0337 4.6213 4.9866 2.9836 3.2163 3.5453 4.3507 4.1987 1.3156 4.7544 4.1662 3.5265 3.7325 1.1749 1.3947 1.2391 4.4571 4.3929 4.1551 1.5796 1.5514 5.1252 3.1993 2.3053 2.9079 2.3658 2.5917 2.8214 2.5292 2.4359 2.0252 1.7752 1.6578 2.5948 2.5226 1.3109 3.4789 2.2449 2.6241 1.3905 2.8332 2.8813 1.7366 2.1155 3.0156 1.7278 1.7491 1.0932 4.7862 2.4106 2.8375 1.4559 2.1697 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4654.19 4664.62 4674.22 4677.09 4688.73 4691.08 4697.92 4698.27 4709.19 4714.18 4719.73 4725.87 4735.92 4744.39 4777.79 4780.09 4782.28 4785.71 4801.07 4830.37 4831.54 4873.53 4885.54 4895.67 4905.25 4922.09 4941.30 5581.55 5625.42 0.610968 0.641741 0.642685 0.544622 -2181.731002 -2181.700229 -2181.699284 -2181.797347 3.289049D-04 MUNgauss RevisionA2.0 retrievium 15-Dec-2020 DUDE CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)NC[C@H]([C@H]2CC=CS2)C3=c4ccccc4=[NH+]C3 C64173483 RHF 6-31G(d) (6D,10F) C1 492.210309 |X|Y|Z| 140.749191 56.655363 34.143518 64.813439 24 6 7 16 19 4 1 |36.858105| |12.507842|36.858105| |7.680090|12.942476|53.358707| |5.802031|7.575260|17.566749|36.858105| |4.384670|5.823852|10.241120|12.486532|36.858105| |5.052449|7.199578|15.963703|7.172273|5.767641|388.023441| |3.962791|4.998708|10.562643|6.805404|5.661206|94.602686|73.516695| |4.335408|6.308796|10.186660|5.386143|5.198030|94.756099|13.764061|73.516695| |5.103811|6.130732|10.223707|4.969106|3.969278|82.045991|13.339603|13.806619|53.358707| |4.690959|4.896690|8.207704|4.549702|3.511643|50.877793|11.381925|8.921582|17.741994|36.858105| |3.429907|3.621900|6.017346|3.720024|3.055995|39.415091|10.594645|7.552072|10.441566|12.506764|36.858105| |2.990046|3.202759|5.020936|3.093562|2.678821|33.976130|8.613734|7.299442|9.067409|7.723150|12.965503|53.358707| |3.081415|3.470343|5.358122|3.196970|2.849990|39.455038|9.257370|9.263209|10.441386|6.596019|7.693087|17.751710|36.858105| |3.915753|4.544776|6.747376|3.687099|3.207863|50.767728|9.764034|12.053466|17.794037|7.881528|6.620990|10.574663|12.481436|36.858105| |2.488077|2.611590|4.006320|2.580977|2.287281|25.620874|6.705039|5.730161|6.150525|5.194183|7.914511|19.091175|7.671289|5.137323|36.858105| |2.352772|2.411912|3.695464|2.441530|2.150521|22.568528|6.015252|4.972189|5.251611|4.685479|7.013703|11.490645|5.294276|4.071776|15.704339|73.516695| |2.204381|2.336088|3.504889|2.277686|2.077683|22.374304|5.768277|5.288180|5.133736|3.969379|5.220612|11.079238|6.777489|4.530827|13.866065|15.147700|53.358707| |1.901403|1.992909|2.966774|1.979995|1.829132|18.311630|4.791845|4.359807|4.017714|3.129907|3.965127|7.078245|4.496959|3.370103|7.810770|12.520979|17.891592|36.858105| |1.774378|1.826042|2.660433|1.776952|1.640115|15.948057|4.075865|3.817557|3.529579|2.764584|3.323047|5.652909|3.644568|2.941894|5.675523|10.014391|10.324182|12.298569|36.858105| |1.781204|1.837306|2.643813|1.749954|1.621940|15.878488|3.980360|3.863189|3.538958|2.708094|3.155701|5.459518|3.701276|3.026781|5.137610|8.467046|9.619054|8.898927|17.595924|0.500000| |1.556589|1.599269|2.322246|1.577754|1.473428|13.711236|3.533806|3.306372|2.942419|2.285583|2.686278|4.314685|2.869652|2.395330|4.033820|7.376154|6.737909|7.486807|12.352054|0.247201|36.858105| |1.531919|1.570965|2.298897|1.576911|1.470851|13.506596|3.530161|3.224664|2.869790|2.257123|2.683857|4.195640|2.737495|2.290096|3.940140|7.549018|6.232755|6.871890|8.814651|0.174268|17.563125|0.500000| |1.466101|1.522783|2.205784|1.504595|1.425046|13.091170|3.374317|3.215092|2.753430|2.084265|2.412015|3.867457|2.697721|2.257564|3.457099|6.024430|5.917090|6.149780|7.340029|0.190037|12.344177|0.246837|36.858105| |1.321855|1.363746|1.958700|1.346009|1.280712|11.437618|2.934744|2.817144|2.384008|1.802942|2.041598|3.180009|2.232301|1.928387|2.746745|4.873819|4.435003|4.184063|5.012693|0.135240|7.786524|0.183531|12.627452|36.858105| |1.301589|1.329995|1.899823|1.304643|1.234668|10.980138|2.800695|2.688938|2.306954|1.760796|1.978292|3.051589|2.115531|1.854813|2.627910|4.751425|4.125785|3.788426|4.848273|0.131077|7.419230|0.176054|7.978907|14.479025|36.858105| |1.434941|1.454817|2.079638|1.416197|1.323299|12.020864|3.052922|2.908723|2.580506|2.003700|2.271788|3.539810|2.383981|2.080235|3.131249|5.788261|4.877265|4.531451|6.786827|0.176308|10.350190|0.221215|7.047103|7.307801|10.754642|388.023441| |1.855062|1.872558|2.720734|1.814474|1.649095|16.000391|4.067924|3.750406|3.613909|2.941660|3.529468|5.778307|3.509978|2.936651|5.781386|11.552735|8.532308|7.561962|12.653363|0.251255|7.566139|0.189692|4.867561|3.895451|4.073001|43.321111|36.858105| |1.954668|1.944688|2.780731|1.832784|1.652741|16.138562|4.004574|3.780776|3.734533|3.055234|3.510408|5.679714|3.484713|3.046875|5.211087|9.980288|7.186743|5.367521|7.410038|0.197939|5.186449|0.129558|3.818128|3.241550|3.455411|35.271687|14.044060|36.858105| |2.006419|1.996431|2.798531|1.819175|1.647320|16.239189|3.922466|3.876839|3.806468|3.009522|3.291185|5.419839|3.545728|3.206005|4.572970|7.934607|6.538320|4.532173|5.841498|0.185698|4.288657|0.103780|3.464141|2.994580|3.164924|30.351417|7.428264|13.210527|36.858105| |2.061749|2.010689|2.768534|1.794972|1.617007|15.687824|3.731382|3.737034|3.692848|2.928535|3.054700|4.782607|3.176307|3.042981|3.777408|6.646344|5.110776|3.483180|4.157011|0.126472|3.327381|0.083505|2.795519|2.506226|2.664597|24.415100|5.134842|7.953668|14.198432|36.858105| |2.064355|1.972227|2.720534|1.782334|1.591242|15.075555|3.615666|3.527014|3.521518|2.885170|2.986948|4.424893|2.853740|2.775806|3.470319|6.441029|4.463622|3.092190|3.593916|0.102652|2.992186|0.077975|2.492922|2.271387|2.434773|22.181069|4.646957|6.879607|7.867119|13.175868|36.858105| |2.010129|1.922072|2.699069|1.791102|1.592784|14.945114|3.661255|3.445550|3.452188|2.909425|3.115800|4.510354|2.800807|2.660507|3.661455|7.228839|4.581350|3.262128|3.798795|0.102775|3.192147|0.085578|2.579912|2.345273|2.527508|23.479101|5.287034|7.652297|6.615351|7.715662|14.071443|36.858105| |1.957225|1.909737|2.730405|1.817864|1.624110|15.459196|3.856239|3.561602|3.554218|3.000759|3.396380|5.086455|3.064866|2.776559|4.451670|9.222193|5.622487|4.162263|5.097284|0.130625|4.101405|0.110398|3.123357|2.765003|2.981280|29.188632|8.420938|13.213561|7.653090|6.818846|8.072957|13.431484|36.858105| |1.858136|1.822167|2.642386|1.787915|1.601261|14.949634|3.816195|3.419693|3.356967|2.858533|3.334336|4.850642|2.884474|2.570593|4.369846|9.766688|5.450841|4.264883|5.065919|0.120622|4.322124|0.124303|3.211146|2.847708|3.065303|29.823575|8.274794|8.455805|5.299791|4.660787|5.263416|7.726606|14.535312|53.358707| |1.816218|1.766110|2.562569|1.752424|1.566214|14.283126|3.665209|3.248038|3.167015|2.716884|3.124541|4.361535|2.616020|2.373301|3.786095|8.437277|4.648815|3.596597|4.063955|0.098609|3.648255|0.107340|2.820759|2.557734|2.749609|25.577918|5.828430|5.925585|4.238988|3.954015|4.646422|6.821224|9.287565|26.029919|0.500000| |1.790298|1.790588|2.623847|1.780528|1.611667|15.163256|3.928160|3.497902|3.359846|2.805562|3.393432|5.141844|3.061566|2.617519|4.982200|11.317871|6.588935|5.765195|7.187542|0.150981|6.077016|0.184582|4.108382|3.482767|3.687879|37.134043|12.691201|8.206382|5.078102|4.101489|4.151054|5.194186|8.366551|17.906848|0.244241|36.858105| |17.551932|8.859872|7.597295|4.532318|3.755643|29.327545|5.871868|6.763005|5.747597|3.853525|2.948937|3.623527|2.770961|3.489700|2.257061|3.795914|2.770088|1.770658|1.671284|0.046925|1.474247|0.040142|1.393944|1.264755|1.248633|9.758438|1.743861|1.848490|1.919001|1.991506|1.989705|1.915455|1.847986|2.373323|0.047326|1.675542|0.500000| |17.568934|8.762705|9.420341|6.219016|4.548818|31.827711|6.703846|6.715693|5.888593|4.225722|3.213336|3.742737|2.769341|3.356952|2.330603|3.985154|2.803290|1.800296|1.680621|0.046504|1.487243|0.040937|1.399455|1.266995|1.248984|9.766576|1.762599|1.844795|1.869322|1.916819|1.942251|1.916015|1.867414|2.440981|0.049137|1.724600|0.302014|0.500000| |17.572511|8.825863|9.401098|5.079047|3.813654|36.176163|7.144648|7.488988|7.952652|5.712541|3.929452|4.589707|3.391388|4.378941|2.768704|4.664151|3.280402|2.058075|1.927560|0.053707|1.672668|0.045662|1.559462|1.400187|1.383752|10.962958|2.040847|2.174616|2.234815|2.313657|2.331870|2.266188|2.190082|2.805604|0.055857|1.965888|0.300814|0.301216|0.500000| |8.825655|17.582179|12.398805|7.276370|6.555553|41.179997|7.779299|9.997314|6.384440|3.876224|3.060663|3.755876|3.001094|3.755956|2.307894|3.811130|2.858888|1.818952|1.671133|0.046736|1.480697|0.040456|1.421380|1.280855|1.247210|9.615366|1.701303|1.756268|1.801564|1.811826|1.776257|1.732896|1.723828|2.250942|0.044658|1.632103|0.214038|0.208475|0.173118|0.500000| |8.882309|17.651147|12.412631|5.646953|4.792396|52.008755|8.509045|13.043428|9.293988|4.948476|3.671502|4.615747|3.834354|5.358115|2.732784|4.399892|3.368525|2.085791|1.913024|0.054022|1.663346|0.045018|1.589106|1.418286|1.380967|10.750341|1.948519|2.034534|2.120684|2.134842|2.061014|1.982049|1.970609|2.531935|0.049637|1.834737|0.213318|0.173099|0.213180|0.305379|0.500000| |4.773000|5.639718|12.461690|17.665875|8.850457|47.990280|13.851115|8.605094|6.633900|4.796684|4.094864|4.461778|3.280478|3.621444|2.748974|4.679135|3.252485|2.083860|1.852816|0.050173|1.645761|0.046030|1.562306|1.392857|1.348384|10.428034|1.897115|1.898408|1.857350|1.818592|1.815178|1.847300|1.892240|2.562035|0.051432|1.881944|0.105802|0.142859|0.124992|0.144886|0.127287|0.500000| |6.563473|7.341496|12.657677|17.606068|8.838596|38.405758|8.940832|7.680634|5.830708|4.104428|3.334129|3.793409|2.827826|3.264038|2.364809|4.035225|2.845631|1.836174|1.671835|0.045764|1.491420|0.041432|1.416962|1.276663|1.244823|9.624499|1.723187|1.754469|1.744162|1.740412|1.746086|1.753815|1.759186|2.351172|0.047343|1.700788|0.140679|0.223777|0.151458|0.203231|0.145846|0.304003|0.500000| |3.799194|5.061136|9.102707|8.791294|17.587371|44.472203|11.688619|10.522495|5.547361|3.523519|3.167556|3.838299|3.060087|3.371555|2.403884|3.972600|2.995481|1.931318|1.710522|0.046971|1.536146|0.042583|1.495400|1.337110|1.280787|9.720383|1.700652|1.689480|1.681067|1.633328|1.593770|1.596620|1.644396|2.212402|0.043942|1.654389|0.091743|0.105577|0.095417|0.150446|0.124676|0.212422|0.173031|0.500000| |3.763705|4.556347|7.525820|8.876682|17.553253|31.671533|8.238419|7.178935|4.512212|3.064260|2.740741|3.270613|2.505385|2.746393|2.095332|3.552528|2.598954|1.705808|1.536460|0.042024|1.393191|0.038825|1.348291|1.218623|1.176295|8.931890|1.547760|1.545664|1.531151|1.504243|1.489928|1.500030|1.528965|2.066286|0.041495|1.526744|0.091558|0.112579|0.092179|0.141021|0.106284|0.212708|0.214852|0.301703|0.500000| |4.561822|6.272745|9.256240|8.750738|17.568942|36.835647|8.289251|9.082278|5.079477|3.226060|2.775778|3.394748|2.693887|3.096096|2.137140|3.556900|2.673767|1.731505|1.567103|0.043374|1.409793|0.038887|1.368195|1.234708|1.192255|9.068693|1.573462|1.587535|1.598776|1.579016|1.548425|1.536182|1.555789|2.072532|0.041297|1.527593|0.112548|0.128571|0.106160|0.225021|0.144108|0.172762|0.208923|0.301074|0.301791|0.500000| |4.692333|4.533244|6.808723|3.861763|3.056995|38.562212|8.408802|7.530145|12.610087|17.563520|8.851717|9.309232|5.783359|7.115955|4.944166|8.113391|5.224938|3.055623|2.797955|0.076916|2.296797|0.062508|2.070970|1.802704|1.780128|14.587256|3.056778|3.298239|3.311576|3.318537|3.308408|3.281642|3.284079|4.132257|0.079939|2.889928|0.110257|0.115367|0.168757|0.100224|0.130102|0.109694|0.101321|0.083867|0.075191|0.080109|0.500000| |5.230990|5.272643|9.474737|5.447967|3.908645|49.690402|11.815313|8.332946|12.418977|17.639620|8.878640|7.639359|4.934366|5.690788|4.229273|7.169417|4.539285|2.749142|2.451839|0.066199|2.077516|0.057613|1.902538|1.665626|1.630512|13.082828|2.615631|2.696157|2.626166|2.585270|2.604669|2.660291|2.713616|3.585794|0.071018|2.564724|0.114153|0.137493|0.175925|0.115444|0.136584|0.166011|0.138314|0.105723|0.095352|0.097388|0.302571|0.500000| |3.152836|3.188489|5.130857|3.307938|2.729376|30.823494|8.289765|6.136615|7.633397|8.893186|17.692291|12.500281|5.651902|5.003514|7.623965|14.693980|6.704935|3.957326|3.416056|0.088109|2.770088|0.077979|2.425686|2.066073|2.025747|16.801140|3.809030|3.799623|3.420121|3.191057|3.229088|3.495695|3.844880|5.252453|0.101687|3.825773|0.076174|0.083796|0.100997|0.075949|0.088413|0.101760|0.084996|0.077339|0.069512|0.069150|0.218301|0.210011|0.500000| |3.259684|3.550115|6.186059|4.002505|3.319635|41.920483|13.239184|7.846159|9.200679|8.877445|17.585409|12.366376|6.757912|5.683961|6.611504|10.689292|6.475832|3.766853|3.077270|0.080497|2.559996|0.071958|2.342079|1.985827|1.904499|15.253159|3.168681|3.056684|2.850077|2.634094|2.575887|2.699173|2.956485|4.056899|0.078577|3.105809|0.077573|0.086529|0.099921|0.085032|0.097972|0.127579|0.096792|0.097748|0.082982|0.081659|0.174106|0.218272|0.301521|0.500000| |2.739681|3.034598|4.488534|2.737733|2.497827|30.976169|7.228007|7.769709|7.680604|4.990927|5.622024|12.394282|17.619959|9.027637|7.147082|8.770281|10.410241|4.914350|4.035788|0.118854|3.111228|0.080284|2.959809|2.419721|2.281346|18.296403|3.740348|3.726789|3.935498|3.432423|2.963152|2.850306|3.140910|3.951018|0.072045|3.119790|0.070138|0.068465|0.083167|0.074344|0.094028|0.077131|0.068483|0.074141|0.061698|0.066646|0.131723|0.109264|0.127742|0.138864|0.500000| |2.926743|3.391874|5.408403|3.316126|3.034574|41.919428|10.652169|10.148506|9.177095|5.650345|6.702613|12.292940|17.517566|8.830366|6.415194|8.374471|8.156003|4.261752|3.352541|0.093165|2.732501|0.073335|2.632134|2.180282|2.039167|15.981297|3.146945|3.032712|3.026125|2.716954|2.477186|2.462801|2.703707|3.554218|0.066581|2.815038|0.072902|0.074129|0.086963|0.083209|0.102446|0.095535|0.079705|0.093272|0.073924|0.078698|0.131386|0.126852|0.138831|0.191737|0.300282|0.500000| |3.773837|4.595221|6.537182|3.597925|3.272243|49.329180|9.117288|14.600862|12.450892|5.692202|4.936466|7.664916|8.859361|17.685749|4.169885|6.025399|5.347450|3.035500|2.670311|0.077215|2.222054|0.058796|2.140342|1.843224|1.763188|13.823058|2.609211|2.687794|2.861109|2.728228|2.473534|2.352829|2.442346|3.092147|0.058536|2.327299|0.095753|0.089283|0.111967|0.108769|0.158122|0.095500|0.087978|0.096890|0.077026|0.089788|0.145137|0.127392|0.109363|0.126966|0.214129|0.216589|0.500000| |3.889845|4.224908|5.873106|3.276953|2.840945|38.448339|7.682589|9.155686|12.644958|7.176091|5.872967|9.481946|8.893187|17.566524|4.943529|7.135988|5.973501|3.303743|3.003738|0.087187|2.421797|0.063718|2.253534|1.937468|1.885955|15.246121|3.069845|3.308395|3.607329|3.509700|3.157848|2.944448|3.008134|3.682767|0.068985|2.696548|0.098693|0.091648|0.125035|0.097042|0.138921|0.088876|0.083468|0.080977|0.068680|0.077243|0.215638|0.145499|0.133390|0.133097|0.222094|0.174003|0.301609|0.500000| |2.223872|2.402788|3.599190|2.323512|2.148056|23.555367|6.014103|5.743105|5.310014|3.871360|4.873149|10.273484|7.801627|4.907308|9.349881|10.948183|26.130613|9.191626|5.975154|0.168518|4.307770|0.109731|4.093811|3.103733|2.836843|22.873023|4.850173|4.307735|4.191692|3.391032|2.936354|2.940089|3.459780|4.525089|0.080656|3.882631|0.057182|0.057330|0.066853|0.060271|0.071533|0.067131|0.058715|0.063883|0.054468|0.056650|0.102205|0.090211|0.121237|0.127343|0.273339|0.200229|0.122068|0.127583|0.500000| |1.870571|1.953421|2.942854|1.993377|1.836351|17.999913|4.830165|4.211174|3.880325|3.096025|4.022433|6.714341|4.090418|3.128466|7.404627|13.847534|12.421177|17.618486|8.750849|0.173894|6.769240|0.203072|5.450610|3.915830|3.578430|30.004053|6.857584|4.824212|3.914244|3.135583|2.904626|3.161554|4.055021|6.038398|0.106165|6.267285|0.048121|0.049697|0.056137|0.049624|0.056066|0.058998|0.051379|0.053832|0.047909|0.047890|0.082866|0.076997|0.114895|0.109064|0.116950|0.110700|0.077986|0.084181|0.190170|0.500000| |1.794564|1.900089|2.818581|1.892217|1.775613|17.464788|4.573480|4.251609|3.730280|2.815124|3.456295|6.020415|4.157000|3.149670|5.869553|9.194020|12.676477|17.631142|8.914397|0.215474|7.081852|0.175807|7.186186|4.580974|3.896773|30.546905|5.555406|4.278890|3.855697|3.052423|2.697100|2.789515|3.416671|4.729462|0.083764|4.477973|0.046651|0.047198|0.053360|0.048623|0.055407|0.055049|0.048594|0.052451|0.046054|0.046851|0.075636|0.069392|0.093453|0.093771|0.128814|0.114053|0.081191|0.084598|0.241934|0.303264|0.500000| |1.465196|1.531965|2.238565|1.536851|1.462143|13.361393|3.491085|3.279055|2.771419|2.093488|2.448084|3.895792|2.724547|2.255402|3.478450|6.053398|5.925831|6.236548|6.200802|0.153826|8.748867|0.225510|17.571082|8.814507|5.904343|37.367634|4.318401|3.399930|3.066501|2.523709|2.286358|2.383225|2.863811|4.082187|0.074353|3.838315|0.038544|0.038971|0.043111|0.039817|0.044245|0.044545|0.040020|0.042856|0.038502|0.038825|0.057000|0.053335|0.068014|0.067211|0.081901|0.075478|0.059556|0.061549|0.115663|0.163281|0.219419|0.500000| |1.507248|1.573577|2.267040|1.533816|1.456541|13.552385|3.454210|3.368260|2.863728|2.134278|2.445073|3.999212|2.868825|2.393696|3.515369|5.891513|6.239361|6.097385|7.100108|0.214976|8.723746|0.175074|17.485511|8.922284|6.413747|42.455271|4.629965|3.807187|3.638364|2.912561|2.528075|2.551977|3.037691|4.105004|0.073356|3.721345|0.039918|0.039715|0.044510|0.040783|0.045979|0.043966|0.040032|0.042544|0.038088|0.039015|0.059028|0.053663|0.067254|0.065571|0.089788|0.077371|0.063566|0.066564|0.124645|0.139060|0.208638|0.302238|0.500000| |1.250488|1.294253|1.856532|1.282296|1.228906|10.816625|2.779278|2.681121|2.227738|1.671193|1.877141|2.895006|2.060881|1.794649|2.452110|4.321631|3.913424|3.564703|3.996556|0.109385|5.519534|0.139842|8.419664|17.736463|9.045823|37.203480|3.213127|2.749337|2.585713|2.212413|2.018477|2.071899|2.393569|3.350996|0.062408|2.936796|0.033303|0.033351|0.036589|0.033943|0.037352|0.036802|0.033782|0.035700|0.032563|0.032961|0.046197|0.043127|0.052438|0.051167|0.061785|0.056539|0.048090|0.049800|0.077681|0.093977|0.110462|0.206151|0.194647|0.500000| |1.220454|1.242522|1.766412|1.217848|1.155457|10.121523|2.575043|2.482731|2.115295|1.612056|1.789781|2.722425|1.896811|1.688519|2.301864|4.174537|3.534843|3.127793|3.855367|0.105650|5.290367|0.134016|5.568013|8.911574|17.769410|54.777094|3.427028|3.026141|2.818151|2.443176|2.262204|2.339592|2.691959|3.757412|0.070081|3.197383|0.032643|0.032608|0.035945|0.032482|0.035767|0.034887|0.032407|0.033198|0.030670|0.031069|0.045383|0.041737|0.050967|0.047941|0.056460|0.050873|0.044787|0.047792|0.068095|0.083191|0.088804|0.125947|0.134054|0.207750|0.500000| |1.958788|1.978725|2.768026|1.794664|1.642155|16.285050|3.917707|3.962560|3.783884|2.894958|3.160773|5.364414|3.690020|3.284473|4.492229|7.377807|6.955799|4.796262|6.196035|0.225697|4.487034|0.104487|3.779644|3.212648|3.328486|30.961291|6.566270|8.714576|17.759115|9.035013|5.590726|4.819920|5.502031|5.842604|0.098197|4.425900|0.052209|0.050447|0.060027|0.049831|0.058923|0.050669|0.047503|0.046858|0.042274|0.044423|0.086825|0.069844|0.088465|0.077163|0.118974|0.087744|0.082935|0.101908|0.128508|0.109834|0.117277|0.091597|0.115248|0.077026|0.081456|0.500000| |2.055692|2.004161|2.715374|1.752658|1.588343|15.308540|3.588724|3.702173|3.586580|2.766305|2.803044|4.366576|3.025717|2.984518|3.328431|5.704799|4.569627|3.084055|3.574967|0.111202|2.944111|0.073719|2.568808|2.331122|2.460447|21.693494|4.103165|5.626300|9.044735|17.755201|8.771550|5.589716|4.929163|5.024873|0.090001|3.354835|0.055820|0.052715|0.063782|0.050346|0.059646|0.048843|0.047318|0.044490|0.040956|0.043431|0.087107|0.068038|0.079566|0.067760|0.091766|0.072147|0.075754|0.096873|0.087130|0.076869|0.077246|0.064661|0.075478|0.057915|0.063342|0.215804|0.500000| |2.060972|1.941375|2.640232|1.733021|1.547660|14.377414|3.418342|3.374011|3.331256|2.705269|2.715019|3.923666|2.586898|2.588919|2.983434|5.483629|3.830264|2.645055|2.993368|0.085749|2.565993|0.067402|2.194062|2.028237|2.168129|19.132653|3.681904|4.956692|5.656824|8.799377|17.721006|9.097308|5.700440|5.719157|0.108572|3.397409|0.055761|0.053915|0.064660|0.048715|0.056250|0.048700|0.047578|0.042772|0.040329|0.042063|0.086731|0.068828|0.080851|0.065599|0.074004|0.062912|0.064799|0.082071|0.071485|0.069587|0.065350|0.056345|0.061935|0.050697|0.056709|0.124098|0.215612|0.500000| |1.966033|1.857913|2.606384|1.748321|1.551066|14.189191|3.492652|3.251879|3.230585|2.743714|2.899700|4.041608|2.522098|2.429545|3.218289|6.434304|3.979266|2.852195|3.224134|0.086199|2.811122|0.077009|2.310511|2.131180|2.295534|20.748002|4.291399|5.494847|4.819604|5.523581|8.950828|17.752951|8.750430|9.247150|0.192929|4.542390|0.052088|0.052601|0.061465|0.046692|0.052670|0.050199|0.047950|0.042935|0.040820|0.041514|0.085637|0.071302|0.091366|0.070654|0.070166|0.062494|0.060026|0.073885|0.071827|0.078514|0.068707|0.060007|0.062955|0.052850|0.059774|0.105301|0.123189|0.216819|0.500000| |1.859297|1.871311|2.785840|1.901102|1.714577|16.219572|4.286763|3.695362|3.567724|3.023605|3.807623|5.662597|3.266075|2.739833|5.681843|14.344995|7.100319|6.186314|6.436545|0.134841|5.434951|0.173932|3.913303|3.255495|3.312092|30.684558|8.902107|6.236451|4.298698|3.567571|3.609871|4.399257|6.342018|12.392526|0.207035|17.628091|0.047903|0.049969|0.056641|0.047301|0.052937|0.056439|0.050150|0.049078|0.045162|0.044769|0.084625|0.077119|0.121632|0.098316|0.090198|0.084597|0.067191|0.076867|0.114440|0.210354|0.130819|0.106613|0.098363|0.077807|0.080086|0.107582|0.083225|0.084333|0.110783|0.500000| |1.625048|1.626913|2.372579|1.625888|1.486613|13.614604|3.533384|3.172689|2.957266|2.425002|2.868815|4.288747|2.653961|2.296989|3.989678|8.530033|5.500739|4.996434|6.388692|0.136967|6.557912|0.215689|4.326097|3.826303|4.193139|43.356055|8.861376|6.253559|4.310399|3.575741|3.615733|4.402818|6.349141|12.403165|0.205250|17.565580|0.042490|0.043667|0.049120|0.041546|0.046219|0.047631|0.043261|0.042406|0.039336|0.039239|0.068942|0.062403|0.088098|0.074576|0.075559|0.069015|0.057698|0.065381|0.093772|0.151542|0.114910|0.111119|0.104559|0.088570|0.101046|0.107911|0.083426|0.084460|0.110804|0.297787|0.500000| 2180.040167 -13015.335697 4938.161089 -239.826947 -6136.961388 3954.619360 -2182.342029 2.001056 40A4100000000009 44D9711BCD94DAD5 4458C3C182FFDBD2 42372EAE9D500000 4038000000000001 43E3E1FC86C232D5