Version2.0 2020-04-08T01:00:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-Mar-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)Cn1c(nnn1)[C@@H](C(C)C)[NH+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C5CCCC5 C13500692 RHF 6-31G(d) (6D,7F) CCOC(=O)Cn1c(nnn1)[C@@H](C(C)C)[NH+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C5CCCC5 C01[X(C25H33N6O5)] 201 C1 606 CCOC(=O)Cn1nnnc1[C@H]([NH+](C1CCCC1)Cc1cc2cc3OCOc3cc2[nH]c1=O)C(C)C CCOC(=O)Cn1nnnc1[C@H]([NH+](C1CCCC1)Cc1cc2cc3OCOc3cc2[nH]c1=O)C(C)C CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[NH+](CC2=Cc3cc4OCOc4cc3NC2=O)C5CCCC5 InChIKey=QYYIJKQRVIYRBD-HSZRJFAPSA-O InChI=1S/C25H32N6O5/c1-4-34-22(32)13-31-24(27-28-29-31)23(15(2)3)30(18-7-5-6-8-18)12-17-9-16-10-20-21(36-14-35-20)11-19(16)26-25(17)33/h9-11,15,18,23H,4-8,12-14H2,1-3H3,(H,26,33)/p+1/t23-/m1/s1 InChI=1/C25H32N6O5/c1-4-34-22(32)13-31-24(27-28-29-31)23(15(2)3)30(18-7-5-6-8-18)12-17-9-16-10-20-21(36-14-35-20)11-19(16)26-25(17)33/h9-11,15,18,23H,4-8,12-14H2,1-3H3,(H,26,33)/p+1/t23-/m1/s1/fC25H33N6O5/h26,30H/q+1 CCOC(=O)Cn1c(nnn1)[C@@H](C(C)C)[NH+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C5CCCC5 C01[X(C25H33N6O5)] 201 C01 606 CCOC(=O)Cn1nnnc1[C@H]([NH+](C1CCCC1)Cc1cc2cc3OCOc3cc2[nH]c1=O)C(C)C CCOC(=O)CN1NNN[C@@H]1[C@H]([NH](C1CCCC1)CC1=C[C@H]2C=C3OCO[C@@H]3C[C@H]2NC1=O)C(C)C CCOC(=O)CN1NNN[C@@H]1[C@@H](C(C)C)[NH](CC2=C[C@H]3C=C4OCO[C@@H]4C[C@H]3NC2=O)C5CCCC5 InChIKey=NETZZKDKHUUIMH-SUAIRQLHSA-N InChI=1S/C25H41N6O5/c1-4-34-22(32)13-31-24(27-28-29-31)23(15(2)3)30(18-7-5-6-8-18)12-17-9-16-10-20-21(36-14-35-20)11-19(16)26-25(17)33/h9-10,15-16,18-19,21,23-24,27-30H,4-8,11-14H2,1-3H3,(H,26,33)/t16-,19+,21+,23+,24-/m0/s1 InChI=1/C25H41N6O5/c1-4-34-22(32)13-31-24(27-28-29-31)23(15(2)3)30(18-7-5-6-8-18)12-17-9-16-10-20-21(36-14-35-20)11-19(16)26-25(17)33/h9-10,15-16,18-19,21,23-24,27-30H,4-8,11-14H2,1-3H3,(H,26,33)/t16-,19+,21+,23+,24-/m0/s1/f/h26H 4035.3350662490 -1666.6904436 1-A 23380.4362 132 474 606 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.72208 -20.70647 -20.69707 -20.67246 -20.62284 -15.82620 -15.79312 -15.75946 -15.74307 -15.71646 -15.70515 -11.50359 -11.45894 -11.45432 -11.44967 -11.44061 -11.42160 -11.41555 -11.40905 -11.40832 -11.40815 -11.39556 -11.38902 -11.38606 -11.38604 -11.36262 -11.35543 -11.35275 -11.35235 -11.35167 -11.34223 -11.34134 -11.33388 -11.32734 -11.32182 -11.30617 -1.62839 -1.59308 -1.59264 -1.49860 -1.48993 -1.48210 -1.46024 -1.39110 -1.38334 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2028.86 2041.19 2051.99 2068.57 2085.84 2092.91 2097.95 2108.70 2120.97 2128.76 2146.90 2154.84 2159.79 2186.47 2208.53 2213.47 2220.33 2227.91 2249.60 2261.51 2269.27 2278.63 2287.47 2291.09 2298.54 2298.71 2305.35 2326.01 2342.03 2342.48 2344.46 2361.09 2362.77 2365.90 2366.26 2369.54 2377.43 2381.66 2393.71 2398.13 2398.74 2403.71 2410.93 2465.26 2505.81 2576.53 2638.69 2654.35 2773.42 2885.19 4590.32 4609.42 4612.91 4620.77 4639.45 4661.57 4669.59 4680.59 4695.23 4707.76 4717.72 4724.02 4726.20 4730.18 4741.02 4743.52 4746.15 4747.54 4760.75 4765.90 4780.72 4797.00 4812.02 4816.69 4823.05 4826.49 4829.02 4832.44 4887.65 4897.61 4917.81 5382.75 5519.93 0.624991 0.657005 0.657949 0.556381 -1666.065453 -1666.033438 -1666.032494 -1666.134063 3.406641D-04 MUNgauss RevisionA2.0 retrievium 08-Apr-2020 DUDE CCOC(=O)Cn1c(nnn1)[C@@H](C(C)C)[NH+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C5CCCC5 C13500692 RHF 6-31G(d) (6D,10F) C1 497.251243 |X|Y|Z| 136.795057 54.491064 41.209861 67.473351 26 6 7 8 18 6 2 |36.858105| |12.601526|36.858105| |8.004516|13.210202|73.516695| |5.282232|8.076595|26.018309|36.858105| |4.562129|7.028498|15.237227|16.018781|73.516695| |4.079582|5.163935|14.579602|12.524861|14.176876|36.858105| |3.223461|3.983721|9.537071|7.751867|12.183205|13.176231|53.358707| |2.722616|3.309475|7.318558|5.584448|10.034408|7.407411|19.378395|36.858105| |2.414900|2.868892|6.093630|4.380324|8.032809|5.353242|12.200868|14.747457|53.358707| |2.542939|2.999705|6.429782|4.535855|8.016058|5.550492|12.449888|9.046702|19.434992|53.358707| |3.005984|3.603146|8.191747|5.974064|9.756572|8.010825|19.509212|8.878204|12.201851|20.766402|53.358707| |2.551952|3.066771|6.564232|4.779087|8.785195|5.821504|10.178831|12.627621|10.426799|7.258947|7.172781|36.858105| |2.830396|3.440270|7.503164|5.502004|9.832186|6.635866|9.752310|9.019715|7.808042|6.177330|6.600873|17.690398|0.500000| |2.204895|2.538760|5.344575|3.615836|6.366492|4.470217|7.303016|7.478774|8.181456|6.048343|5.795316|12.276945|0.247931|36.858105| |2.066764|2.344137|4.798510|3.128017|5.544914|3.638836|5.387165|4.893154|5.594825|4.485554|4.409844|7.467651|0.198038|12.401192|36.858105| |2.253303|2.537435|5.475496|3.598210|5.976681|4.784639|7.516706|6.543195|7.381932|6.076497|6.100300|7.506595|0.187419|12.407890|7.612693|36.858105| |2.356155|2.842716|5.738130|4.076533|8.158178|4.348556|7.158117|7.611793|8.396826|6.057825|5.716597|12.512942|0.254670|7.476490|6.194202|4.889530|53.358707| |2.200450|2.604484|5.181942|3.544098|6.912737|3.767948|5.850375|5.731155|6.565751|4.997754|4.777194|9.379291|0.222364|7.431050|7.434764|4.719676|25.792680|0.500000| |2.073013|2.453800|4.857654|3.352321|6.665283|3.568444|6.094257|6.357849|8.919609|6.257106|5.409216|7.418666|0.153815|5.952881|4.837091|4.206555|16.861596|0.257937|36.858105| |1.820495|2.112252|4.073404|2.704407|5.320260|2.815934|4.516029|4.263692|5.957395|4.639031|4.118504|5.022220|0.115946|4.646881|4.322302|3.431004|10.151680|0.211527|12.634795|36.858105| |1.685466|1.923136|3.712874|2.416849|4.627692|2.557435|4.002158|3.690433|5.059536|4.033489|3.640451|4.489227|0.106436|4.664152|4.718862|3.440116|8.043572|0.189685|7.570666|14.143243|36.858105| |1.512150|1.702645|3.235108|2.061905|3.929137|2.149844|3.279181|2.889651|3.981954|3.325821|3.038952|3.370659|0.083711|3.515104|3.690382|2.782520|5.671659|0.130802|4.947774|7.783110|13.286840|36.858105| |1.406349|1.563214|2.969176|1.865318|3.496123|1.959197|2.937691|2.535543|3.460279|2.946422|2.726551|2.951301|0.074920|3.212752|3.524368|2.627221|4.661932|0.108214|3.796824|5.086976|7.613680|13.399880|36.858105| |1.291377|1.424250|2.676731|1.662541|3.113611|1.727525|2.560584|2.162274|2.963594|2.582241|2.404038|2.452656|0.063316|2.617743|2.838470|2.216738|3.815206|0.086393|3.075266|3.956400|5.147575|8.046802|14.127736|36.858105| |1.259759|1.390897|2.589820|1.606008|3.033801|1.646765|2.439953|2.044807|2.825428|2.486553|2.311422|2.275643|0.058901|2.352809|2.486213|2.007910|3.587919|0.079545|2.938069|3.810822|4.568312|6.957336|7.936917|13.598606|36.858105| |1.326517|1.476738|2.742008|1.713152|3.275817|1.741883|2.602804|2.195386|3.056960|2.678012|2.472256|2.425987|0.062298|2.440520|2.520127|2.059021|3.937010|0.086113|3.326456|4.510087|5.110235|7.791339|6.691941|7.855911|14.016668|36.858105| |1.460302|1.644157|3.080634|1.953673|3.764888|1.996853|3.031248|2.620338|3.656195|3.122509|2.853112|2.944106|0.074092|2.936306|2.997267|2.397069|4.979682|0.109753|4.409738|6.764761|7.888721|13.675762|7.805264|6.941699|8.107238|13.526391|36.858105| |1.549012|1.762567|3.287961|2.104955|4.129354|2.122133|3.256043|2.824261|3.990858|3.405136|3.085496|3.101422|0.077477|2.949696|2.899295|2.405465|5.429172|0.114443|5.072473|7.961511|7.036354|8.009746|5.169128|4.624693|5.267184|7.901641|13.849901|53.358707| |1.490727|1.689579|3.118870|1.979914|3.891430|1.973603|3.002140|2.550472|3.619278|3.162469|2.879684|2.735099|0.069296|2.581289|2.528053|2.157430|4.658555|0.096469|4.210138|5.802505|5.141997|5.804402|4.243120|4.049250|4.846388|7.355527|9.265188|25.962745|0.500000| |1.724081|1.993240|3.754463|2.455780|4.897369|2.476623|3.894585|3.479207|4.964307|4.108209|3.666623|3.807000|0.092476|3.457673|3.260243|2.746757|7.113765|0.142656|7.513247|12.958665|7.836220|6.672419|4.454523|3.785138|3.970644|5.139180|7.779220|18.977448|0.265102|36.858105| |1.791651|2.087731|3.894746|2.556742|5.196017|2.524306|3.982514|3.485090|5.052908|4.292464|3.820274|3.618220|0.088893|3.159716|2.907461|2.584040|6.585084|0.124409|6.693779|8.051206|5.372027|4.694054|3.476720|3.075617|3.260865|4.100715|5.401669|11.583273|0.220614|15.809112|73.516695| |1.161671|1.271935|2.355385|1.446143|2.716504|1.478397|2.168771|1.789768|2.469553|2.207363|2.066429|1.968248|0.051529|2.036356|2.153752|1.777022|3.035125|0.066655|2.436656|3.008774|3.470369|4.697181|5.437810|8.551943|14.275449|7.867633|5.240169|5.380547|0.106418|3.140660|4.799045|73.516695| |1.127694|1.227803|2.283027|1.395589|2.597104|1.438345|2.099534|1.726716|2.370003|2.122129|1.995497|1.907871|0.050166|2.014282|2.162629|1.775354|2.882296|0.063709|2.274214|2.739217|3.224573|4.207087|5.366263|8.564802|8.569139|5.359578|4.217809|4.449370|0.086161|2.739294|4.213710|23.891658|36.858105| |1.201223|1.312340|2.460222|1.512118|2.806497|1.573045|2.305268|1.916617|2.616677|2.313626|2.172185|2.154418|0.056357|2.320734|2.538560|2.018720|3.254424|0.073137|2.558054|3.115474|3.862000|5.181772|7.794417|14.092022|8.515419|5.391579|4.674945|4.757947|0.088526|2.983797|4.488706|14.922119|13.525780|73.516695| |2.637672|3.297491|6.436311|4.644860|10.256882|4.404118|6.686106|6.035567|6.706827|5.414185|5.390208|7.558509|0.208688|4.931110|4.490524|3.780231|17.011107|0.260370|7.407764|5.587382|4.443221|3.486019|2.908547|2.483297|2.404774|2.667101|3.267675|5.005902|0.091316|4.722491|8.457983|3.677925|1.945025|3.816273|36.858105| |2.884469|3.609836|6.964392|4.830639|10.185290|4.421831|5.958434|4.864641|5.262881|4.499190|4.714780|6.261525|0.213221|4.490287|4.498243|3.624630|10.202075|0.202387|4.859357|4.127336|3.649697|3.017991|2.644136|2.291850|2.197322|2.373387|2.804850|4.105807|0.076142|3.578380|6.269426|3.420728|1.835584|3.600842|12.380051|36.858105| |2.865778|3.570378|6.343649|4.133731|8.952805|3.547069|4.690905|3.650173|4.232613|3.784420|3.952997|4.213560|0.132305|3.303655|3.342853|2.803080|6.826030|0.137027|3.860942|3.514238|3.110484|2.710036|2.385808|2.129092|2.089783|2.275067|2.624222|3.893909|0.074320|3.298950|5.963418|3.293810|1.750005|3.368747|7.801117|12.313515|36.858105| |2.530480|3.116428|5.502061|3.613509|8.010325|3.153344|4.408639|3.522615|4.297059|3.826970|3.864851|3.909821|0.113206|3.088821|3.039426|2.590599|6.846882|0.133280|4.252528|3.980793|3.350068|2.939713|2.505257|2.249145|2.261164|2.535403|2.957526|4.598743|0.088971|3.989072|7.539498|3.532577|1.838925|3.503954|8.017600|7.723533|12.336914|36.858105| |2.320832|2.826712|5.236328|3.546262|7.697996|3.292168|4.887494|4.201789|5.181774|4.371183|4.252495|4.873297|0.132046|3.749486|3.617414|2.976443|10.093041|0.191442|6.299055|5.847260|4.522085|3.743286|3.035869|2.641711|2.637733|3.017167|3.716382|5.975413|0.110464|5.656620|10.431672|4.006434|2.070785|4.006192|12.451871|7.919373|7.791189|12.434577|36.858105| |17.570947|8.930618|10.186363|4.277892|7.024262|3.374104|3.797517|2.422454|2.968853|3.106963|3.585077|2.296210|0.070035|1.998166|1.892942|2.018340|2.951871|0.056637|1.929089|1.717075|1.590896|1.440243|1.340811|1.239009|1.214937|1.280383|1.401146|2.025387|0.040015|1.645163|3.050012|1.999296|1.089560|2.052998|2.446216|2.669742|2.739971|2.447949|2.208767|0.500000| |17.587320|8.859626|12.837163|4.926554|7.420915|4.016584|4.368558|2.670072|3.274342|3.526157|4.206913|2.447244|0.074150|2.137882|1.979935|2.218407|3.045345|0.057799|1.999959|1.751889|1.623451|1.457338|1.357485|1.247720|1.217054|1.280305|1.407474|2.031272|0.039941|1.660178|3.071661|1.998044|1.092307|2.066556|2.453540|2.611250|2.553175|2.307277|2.159865|0.300985|0.500000| |17.582070|8.851405|12.830079|4.897358|7.376852|4.009414|4.241627|2.657134|3.174440|3.295743|3.876111|2.545425|0.079547|2.231456|2.120740|2.302452|3.163895|0.061026|2.023966|1.787003|1.672235|1.502110|1.406946|1.290854|1.252460|1.311003|1.440964|2.062716|0.040361|1.678070|3.067270|2.055934|1.128104|2.142497|2.570258|2.877698|2.822479|2.440011|2.250468|0.300921|0.300578|0.500000| |8.798003|17.643433|16.502563|7.300276|12.733761|4.742466|5.331352|3.273813|3.966582|4.221889|5.028231|2.959122|0.089571|2.436367|2.224104|2.410593|3.812477|0.070478|2.475629|2.126807|1.913959|1.697279|1.547586|1.413868|1.390326|1.485800|1.654445|2.438783|0.048000|2.035362|3.847029|2.259472|1.220401|2.309120|3.275378|3.426197|3.452938|3.157608|2.860106|0.211344|0.211262|0.172836|0.500000| |8.798638|17.627457|16.487823|7.208117|12.524564|4.730038|5.105863|3.250180|3.793260|3.843165|4.491021|3.137235|0.099568|2.577095|2.428771|2.518895|4.052944|0.076572|2.521791|2.190638|1.995260|1.769131|1.621969|1.477472|1.443787|1.534411|1.709628|2.493984|0.048739|2.068859|3.839258|2.344150|1.270866|2.416331|3.569938|4.105639|4.225130|3.526936|3.081513|0.211421|0.172908|0.211038|0.301553|0.500000| |3.830408|4.662660|12.304256|8.934070|11.534763|17.608084|12.432446|6.759522|6.501500|6.260721|8.013973|6.296156|0.223022|4.992123|4.184420|5.465451|6.108182|0.111822|3.526991|2.830904|2.627899|2.205764|2.030921|1.781635|1.681696|1.763922|2.021330|2.882233|0.054340|2.447904|4.348427|2.683126|1.477898|2.893078|4.435355|4.762556|3.671816|3.142355|3.285684|0.088847|0.102130|0.109583|0.114424|0.125152|0.500000| |4.166040|4.914785|13.767579|8.874607|10.631993|17.670071|12.654910|5.743046|6.326704|7.059148|10.447787|4.563404|0.137918|3.835615|3.177536|4.341252|4.824038|0.087410|3.055856|2.477026|2.280099|1.947829|1.794889|1.596504|1.523438|1.602549|1.816970|2.613040|0.049941|2.208679|4.006178|2.449905|1.346034|2.605989|3.535727|3.545135|2.977254|2.692728|2.785247|0.094310|0.119802|0.113970|0.125829|0.119112|0.303076|0.500000| |2.010897|2.299927|4.751139|3.181490|5.703945|3.817898|6.439453|6.673615|8.567698|6.130419|5.507639|8.824835|0.175254|17.571275|8.836575|8.948980|9.436840|0.189263|6.714885|5.289422|5.425099|3.946411|3.560643|2.847764|2.543394|2.645427|3.231014|4.391349|0.077475|3.801005|6.052290|3.871385|2.149278|4.431393|4.504040|3.885369|2.994867|2.918360|3.617989|0.051088|0.054560|0.056022|0.062300|0.064496|0.112433|0.093590|0.500000| |2.216838|2.507675|5.161651|3.323013|5.786732|3.851571|5.365527|4.587460|5.070946|4.219822|4.304406|6.770481|0.211977|8.749986|17.544070|6.899699|7.457277|0.176950|4.116005|3.670658|3.870738|3.164122|3.043595|2.531090|2.250805|2.280438|2.659034|3.537593|0.064005|2.900833|4.705137|3.518643|1.988408|4.089323|4.393846|4.820851|3.534399|3.067884|3.500422|0.056116|0.058465|0.064048|0.064942|0.072836|0.128900|0.092896|0.172773|0.500000| |1.885485|2.099364|4.261457|2.713781|4.760272|3.154151|4.636614|4.063941|4.901175|4.045644|3.946085|5.463254|0.143930|8.833104|17.588406|7.039350|6.403796|0.150562|4.058601|3.798559|4.319358|3.538313|3.546393|2.867756|2.463659|2.442633|2.849516|3.665156|0.065616|2.943122|4.653770|3.829191|2.203419|4.649766|3.597914|3.590071|2.821410|2.606629|3.042955|0.048183|0.050559|0.053891|0.055471|0.059945|0.099257|0.079051|0.213202|0.302594|0.500000| |1.977806|2.253039|4.507983|2.936342|5.363890|3.266250|4.845576|4.423042|5.211504|4.169836|4.043195|6.661201|0.174173|8.595702|17.540302|5.469650|9.238696|0.263038|5.307568|5.096054|5.859686|4.456230|4.199218|3.275424|2.834856|2.880236|3.496715|4.526739|0.079070|3.718421|5.713864|4.286740|2.406167|5.090972|4.859155|4.794961|3.590612|3.320216|4.075915|0.050853|0.052329|0.056033|0.059869|0.065591|0.101495|0.079042|0.207745|0.301748|0.304789|0.500000| |2.275292|2.562281|5.579285|3.687547|6.069874|5.059608|8.586298|7.256784|8.800023|7.459413|7.353411|6.720757|0.161180|8.703700|5.500428|17.607425|6.155750|0.115824|4.126133|3.294033|3.213577|2.618490|2.446472|2.087797|1.915833|1.980049|2.298426|3.184781|0.058769|2.691269|4.582990|3.024298|1.689527|3.379148|3.582123|3.324291|2.634486|2.484198|2.844516|0.056428|0.063128|0.063825|0.068481|0.069363|0.149374|0.131932|0.215352|0.139747|0.143639|0.121612|0.500000| |2.024553|2.235636|4.712736|3.001421|5.024035|3.803456|5.755980|4.836331|5.908849|5.041096|4.972984|5.482201|0.140381|8.847903|7.114301|17.592179|5.528263|0.113285|3.660884|3.154155|3.284263|2.723343|2.646149|2.237978|2.001148|2.020288|2.324148|3.111843|0.057037|2.550384|4.219777|3.167244|1.802873|3.669164|3.210012|3.114033|2.485498|2.314440|2.639155|0.050850|0.055524|0.057733|0.059107|0.061777|0.118733|0.099280|0.213684|0.175101|0.217968|0.143480|0.303318|0.500000| |2.471789|2.772147|6.111767|3.960686|6.345214|5.444813|7.669896|5.986745|6.394717|5.567641|5.970148|6.845257|0.200030|8.733721|6.827391|17.528045|6.131791|0.121534|3.705303|3.064986|3.046334|2.517818|2.389771|2.045979|1.866393|1.912029|2.201594|3.017921|0.055752|2.514763|4.255659|2.960956|1.664539|3.340031|3.719116|3.774435|2.905071|2.603101|2.902992|0.060801|0.067259|0.071230|0.071646|0.076476|0.189456|0.137116|0.173705|0.202942|0.170492|0.138816|0.300121|0.302871|0.500000| |2.014572|2.354940|4.738253|3.247987|6.222000|3.621324|6.422882|6.993668|10.949622|7.100180|5.836252|7.576404|0.148932|6.876536|5.049720|4.847196|12.280193|0.203343|17.752479|8.910653|6.831264|4.589367|3.686613|2.978206|2.795913|3.087490|3.981090|5.930302|0.102370|5.855094|9.393785|4.163155|2.219554|4.464630|5.625530|4.112864|3.284321|3.480189|4.691716|0.051770|0.054591|0.054811|0.065790|0.066180|0.099186|0.087624|0.246352|0.115517|0.121081|0.145034|0.136149|0.116892|0.112543|0.500000| |2.141998|2.563520|5.019400|3.493649|7.171112|3.594735|6.206853|6.166618|9.203358|6.753364|5.733379|6.160339|0.136016|4.747528|3.898492|3.666193|12.225186|0.185163|17.723322|8.922122|5.641327|4.163913|3.255557|2.744734|2.700181|3.103421|3.994601|6.620286|0.117659|7.434030|14.204253|4.043097|2.101557|4.110683|7.356546|4.642009|3.883983|4.500800|6.600059|0.055564|0.057555|0.057298|0.073278|0.072763|0.095187|0.085760|0.142786|0.096539|0.092989|0.115344|0.103324|0.088635|0.092090|0.305281|0.500000| |1.713316|1.946507|3.809237|2.478432|4.656132|2.689132|4.207538|3.924197|5.267792|4.149087|3.769950|4.990252|0.116830|5.742294|6.054325|4.042808|8.263043|0.203747|6.958981|9.056692|17.673977|8.873046|7.077727|4.731875|3.979286|4.155919|5.645887|6.852208|0.110679|5.574025|7.608262|5.597577|3.053181|6.652415|4.305836|3.673193|3.027530|3.120251|4.074336|0.044633|0.045910|0.047562|0.053295|0.055925|0.078073|0.066614|0.192819|0.128748|0.156168|0.215966|0.101804|0.108903|0.097098|0.193975|0.140743|0.500000| |1.422880|1.576124|3.017697|1.892677|3.507686|2.014939|3.011374|2.601806|3.513683|2.982807|2.774459|3.074709|0.078223|3.496059|3.977965|2.859654|4.694706|0.110469|3.697083|4.644214|6.905137|8.741671|17.739064|8.993772|5.632765|4.858951|5.574985|5.693120|0.097493|3.868809|5.533622|7.794015|4.651500|12.198998|2.868272|2.655363|2.351126|2.407273|2.889564|0.037525|0.038184|0.039754|0.043063|0.045348|0.058627|0.051365|0.107780|0.093707|0.115371|0.131923|0.072792|0.081568|0.071788|0.102485|0.086759|0.211127|0.500000| |1.285790|1.428615|2.631488|1.636378|3.139493|1.648101|2.452208|2.043862|2.857073|2.537700|2.348343|2.220017|0.057398|2.199166|2.244648|1.881958|3.579338|0.076889|3.009807|3.919602|4.149798|5.564281|4.859913|5.599098|8.944141|17.750093|8.753063|9.677478|0.217253|4.708851|7.096396|12.313329|4.657162|7.758179|2.490149|2.220490|2.171138|2.451118|2.856444|0.034634|0.034495|0.035175|0.040128|0.041212|0.046064|0.042274|0.065643|0.057160|0.060223|0.070202|0.050676|0.051090|0.048885|0.077401|0.080330|0.095819|0.105967|0.500000| |1.078810|1.170465|2.178616|1.328520|2.462661|1.373906|2.009065|1.645718|2.276438|2.051415|1.923813|1.797341|0.047135|1.905933|2.021365|1.700323|2.681758|0.058631|2.129909|2.524033|2.931346|3.700109|4.575292|6.546533|6.557861|4.578361|3.710634|4.042184|0.079058|2.526905|3.937091|16.558202|17.648008|16.546629|1.805697|1.699349|1.617228|1.697130|1.904172|0.028950|0.029134|0.029954|0.032367|0.033502|0.039089|0.035905|0.056772|0.051610|0.057593|0.061562|0.045251|0.048188|0.044177|0.058457|0.055004|0.077858|0.114077|0.114483|0.500000| |1.098765|1.192020|2.207014|1.341890|2.493684|1.376731|1.991553|1.625209|2.212823|1.992274|1.888102|1.797862|0.047769|1.889183|2.046325|1.676168|2.703486|0.059863|2.094421|2.482397|2.875302|3.619500|4.471302|6.384927|6.399991|4.478265|3.630113|3.965893|0.077555|2.482287|3.870633|16.565351|17.678376|16.570023|1.848182|1.769362|1.701882|1.776613|1.971296|0.029564|0.029506|0.030598|0.032841|0.034364|0.039400|0.035831|0.055284|0.052919|0.057855|0.063096|0.044182|0.047268|0.044041|0.056504|0.054013|0.076351|0.111920|0.112459|0.296894|0.500000| |2.890584|3.729389|7.359087|5.615169|13.622231|5.075792|7.960706|6.883555|7.631967|6.342520|6.423618|7.088543|0.192537|4.541135|3.907560|3.690485|12.384167|0.183197|6.667124|4.803972|3.812138|3.058191|2.581116|2.237636|2.185832|2.424558|2.921009|4.528456|0.084526|4.267849|8.101652|3.380655|1.788445|3.473580|17.641528|8.766551|6.616449|7.009792|8.829707|0.073879|0.075114|0.076656|0.105565|0.110005|0.132998|0.110979|0.116535|0.106737|0.089442|0.111902|0.101033|0.086052|0.101353|0.149894|0.209172|0.102891|0.070704|0.063726|0.046572|0.047179|0.500000| |3.340335|4.287004|8.644477|6.159151|12.445256|5.513063|6.847912|5.226269|5.395969|4.732010|5.181978|6.455094|0.249657|4.565473|4.442691|3.890215|8.662388|0.165222|4.284461|3.551838|3.200508|2.668721|2.386291|2.081762|1.986385|2.121208|2.471391|3.582313|0.067017|3.086228|5.457595|3.125556|1.692907|3.314992|8.648438|17.641722|8.714908|5.773856|5.675110|0.083787|0.083029|0.093613|0.108892|0.136780|0.172157|0.117979|0.106158|0.138138|0.099042|0.123242|0.099212|0.091053|0.117484|0.106249|0.114883|0.091541|0.067402|0.055314|0.043882|0.045396|0.216798|0.500000| |2.573152|3.092290|5.979768|3.981311|7.853182|3.873390|5.254295|4.385587|4.835764|4.090351|4.218237|6.047504|0.204381|4.761407|5.264401|3.735817|9.822149|0.230568|4.700182|4.221955|3.935443|3.258844|2.898398|2.483356|2.340533|2.492779|2.948456|4.181788|0.076517|3.551542|5.969861|3.629053|1.963816|3.901835|8.812160|17.500221|8.749374|6.149490|6.731282|0.066468|0.065243|0.072538|0.080910|0.096239|0.119894|0.088747|0.113003|0.160918|0.114104|0.163815|0.092027|0.090911|0.107791|0.112102|0.117939|0.112598|0.081905|0.063910|0.050131|0.052735|0.174184|0.302185|0.500000| |3.326241|4.268868|7.234042|4.589824|10.098639|3.694557|4.688186|3.475572|4.032245|3.719516|3.980023|3.810429|0.121074|3.008273|2.986727|2.649939|5.752695|0.112370|3.362932|3.016134|2.687059|2.365482|2.109909|1.902479|1.871911|2.025876|2.302762|3.410740|0.065955|2.865473|5.271079|2.984038|1.592265|3.044204|6.144040|8.738048|17.608834|8.729297|5.790205|0.088924|0.080333|0.090150|0.113713|0.148344|0.104698|0.086633|0.075606|0.088648|0.071109|0.086435|0.070085|0.065213|0.077424|0.081805|0.095847|0.073259|0.058007|0.054137|0.041173|0.043109|0.164991|0.226380|0.178374|0.500000| |2.618797|3.136260|5.530474|3.466535|7.100156|3.073615|4.036683|3.141226|3.698296|3.319457|3.447173|3.677287|0.115082|3.047372|3.217914|2.605244|5.847262|0.124087|3.403420|3.241777|2.975971|2.660293|2.384787|2.147028|2.102545|2.263718|2.571828|3.730808|0.071374|3.055047|5.397359|3.335283|1.779504|3.422985|5.845897|8.764370|17.595088|8.706736|6.203445|0.070305|0.064858|0.072860|0.083255|0.102603|0.090081|0.073321|0.076984|0.095641|0.076511|0.097380|0.067257|0.065378|0.075215|0.081705|0.092867|0.080798|0.065404|0.059948|0.045420|0.048492|0.136654|0.187920|0.228905|0.303726|0.500000| |2.693714|3.379619|5.825907|3.830732|8.833668|3.221778|4.501813|3.495470|4.332562|3.965047|4.031426|3.656382|0.104858|2.873380|2.745653|2.469905|6.107172|0.113973|3.962920|3.600741|3.003123|2.647109|2.267252|2.053122|2.077374|2.332008|2.691713|4.234677|0.083491|3.692877|7.311539|3.273117|1.703527|3.220133|6.857640|6.218287|8.764624|17.570889|8.851480|0.072854|0.068296|0.070658|0.098181|0.105659|0.086547|0.076875|0.075930|0.076818|0.066161|0.081290|0.067044|0.061107|0.069012|0.091992|0.122169|0.077937|0.060560|0.063351|0.044058|0.045640|0.196893|0.144404|0.135488|0.226706|0.176949|0.500000| |2.281451|2.728554|4.746465|3.018007|6.430242|2.679338|3.727992|2.961268|3.696244|3.327372|3.335594|3.275914|0.094019|2.714607|2.731456|2.302707|5.606042|0.113560|3.665533|3.644132|3.152166|2.875861|2.470487|2.258575|2.303837|2.592270|2.962051|4.584054|0.090479|3.797817|7.113536|3.623948|1.872047|3.529596|5.713316|5.716723|8.651538|17.604479|8.744183|0.062177|0.057968|0.061399|0.076775|0.085346|0.074597|0.064975|0.072165|0.076404|0.066344|0.083644|0.061258|0.058144|0.064100|0.084819|0.106306|0.080635|0.065233|0.070464|0.047749|0.050582|0.140494|0.125415|0.141226|0.187527|0.222161|0.303477|0.500000| |2.112037|2.510876|4.661919|3.081907|6.391992|2.948503|4.339788|3.756881|4.668354|3.917228|3.788251|4.563663|0.123526|3.748230|3.818569|2.926431|9.439131|0.207814|6.001296|6.410443|5.217897|4.376676|3.498684|3.010498|2.990326|3.426899|4.295493|6.706524|0.120260|6.041570|10.012222|4.472723|2.302747|4.498600|8.833242|6.990242|6.718416|8.819072|17.511154|0.055995|0.054718|0.057623|0.069621|0.075922|0.083681|0.070283|0.101297|0.101546|0.089553|0.125451|0.076251|0.073411|0.078806|0.125820|0.158467|0.127688|0.091510|0.088483|0.058010|0.060948|0.173738|0.140001|0.194464|0.137471|0.170232|0.174399|0.218485|0.500000| 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