Version2.1 2021-01-11T15:33:08Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 29-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCNC(=O)NC(=O)[C@@H](C)Sc1nnc2n1c3ccccc3c(=O)n2c4ccc(cc4C)C C09500913 RHF 6-31G(d) (6D,7F) CCNC(=O)NC(=O)[C@@H](C)Sc1nnc2n1c3ccccc3c(=O)n2c4ccc(cc4C)C C01[X(C23H36N6O3S1)] 201 C1 571 CCNC(=O)NC(=O)[C@H](Sc1nnc2n1c1ccccc1c(=O)n2c1ccc(cc1C)C)C CCNC(=O)NC(=O)[C@H](Sc1nnc2n1c1ccccc1c(=O)n2c1ccc(cc1C)C)C CCNC(=O)NC(=O)[C@@H](C)Sc1nnc2N(C3CCC(C)CC3C)C(=O)C4CCCCC4n12 InChIKey=VIGBVVRZSOGBPH-NGBNYADNSA-N InChI=1S/C23H36N6O3S/c1-5-24-21(32)25-19(30)15(4)33-23-27-26-22-28(17-11-10-13(2)12-14(17)3)20(31)16-8-6-7-9-18(16)29(22)23/h13-18H,5-12H2,1-4H3,(H2,24,25,30,32)/t13?,14?,15-,16?,17?,18?/m1/s1 InChI=1/C23H36N6O3S/c1-5-24-21(32)25-19(30)15(4)33-23-27-26-22-28(17-11-10-13(2)12-14(17)3)20(31)16-8-6-7-9-18(16)29(22)23/h13-18H,5-12H2,1-4H3,(H2,24,25,30,32)/t13?,14?,15-,16?,17?,18?/m1/s1/f/h24-25H CCNC(=O)NC(=O)[C@@H](C)Sc1nnc2n1c3ccccc3c(=O)n2c4ccc(cc4C)C C01[X(C23H36N6O3S1)] 201 C01 571 CCNC(=O)NC(=O)[C@H](Sc1nnc2n1c1ccccc1c(=O)n2c1ccc(cc1C)C)C CCNC(=O)NC(=O)[C@H](S[C]1[N][N][C]2[N@@]1[C@@H]1CCCC[C@H]1C(=O)N2[C@H]1CC[C@@H](C[C@H]1C)C)C CCNC(=O)NC(=O)[C@@H](C)S[C]1[N][N][C]2N1[C@@H]3CCCC[C@H]3C(=O)N2[C@H]4CC[C@H](C)C[C@H]4C InChIKey=VIGBVVRZSOGBPH-UIGZQWRCSA-N InChI=1S/C23H36N6O3S/c1-5-24-21(32)25-19(30)15(4)33-23-27-26-22-28(17-11-10-13(2)12-14(17)3)20(31)16-8-6-7-9-18(16)29(22)23/h13-18H,5-12H2,1-4H3,(H2,24,25,30,32)/t13-,14+,15+,16+,17-,18+/m0/s1 InChI=1/C23H36N6O3S/c1-5-24-21(32)25-19(30)15(4)33-23-27-26-22-28(17-11-10-13(2)12-14(17)3)20(31)16-8-6-7-9-18(16)29(22)23/h13-18H,5-12H2,1-4H3,(H2,24,25,30,32)/t13-,14+,15+,16+,17-,18+/m0/s1/f/h24-25H 3695.0618529484 -1840.7835382 1-A 24851.7688 128 443 571 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2150.64 2162.00 2167.84 2175.80 2195.15 2199.62 2200.31 2207.21 2216.00 2224.69 2233.65 2244.03 2251.10 2252.96 2263.26 2264.52 2275.71 2323.72 2349.63 2351.32 2353.44 2354.86 2355.46 2359.88 2361.51 2362.25 2362.92 2364.47 2365.52 2367.60 2378.79 2380.98 2389.29 2402.15 2426.41 2437.80 2450.64 2587.28 2821.98 2851.70 2956.54 4570.17 4573.95 4578.36 4590.31 4592.94 4597.11 4599.16 4606.24 4609.58 4618.73 4624.89 4627.53 4628.49 4631.19 4637.75 4640.58 4641.95 4647.67 4673.32 4682.91 4683.07 4686.66 4691.39 4715.01 4727.82 4728.36 4742.29 4744.41 4746.35 4753.44 4762.50 4768.70 4784.53 4792.36 5531.33 5576.13 0.637293 0.668758 0.669702 0.570914 -1840.146245 -1840.114780 -1840.113836 -1840.212624 3.313366D-04 MUNgauss RevisionA2.0 retrievium 11-Jan-2021 DUDE CCNC(=O)NC(=O)[C@@H](C)Sc1nnc2n1c3ccccc3c(=O)n2c4ccc(cc4C)C C09500913 RHF 6-31G(d) (6D,10F) C1 476.256961 |X|Y|Z| 134.701530 76.154521 30.129243 67.611227 19 6 7 15 4 |36.858105| |12.518522|36.858105| |7.799840|13.088327|53.358707| |5.124837|7.817631|18.990445|36.858105| |4.502261|6.882576|11.479375|16.036159|73.516695| |4.042558|5.212376|11.323814|13.574446|14.781725|53.358707| |3.148925|3.897739|7.185657|7.665020|11.653094|18.767043|36.858105| |2.891772|3.621162|6.195086|6.560315|11.793478|11.385792|16.056015|73.516695| |2.704270|3.137354|5.544672|5.056221|7.803232|10.709808|12.497221|14.218443|36.858105| |2.805392|3.169244|5.684092|4.836318|7.129714|10.213872|8.812956|10.579539|17.649459|0.500000| |2.512164|2.864796|4.881213|4.343678|7.037727|8.073887|7.619513|10.586961|12.421183|0.245906|36.858105| |2.235599|2.552267|4.233397|3.706808|6.110949|6.660942|7.065394|11.721066|10.421056|0.222540|6.794465|388.023441| |2.034684|2.237482|3.655426|3.010999|4.882942|5.231709|4.718377|7.475566|6.989425|0.198712|5.600808|76.727142|36.858105| |2.102256|2.272061|3.740541|3.002328|4.767246|5.246055|4.420075|6.678830|6.646260|0.219345|5.732954|50.106680|14.902286|53.358707| |1.870165|1.982800|3.178304|2.488015|4.006611|4.142184|3.359828|5.286002|4.498757|0.141984|4.162890|35.057286|8.868991|18.947673|53.358707| |1.728484|1.842868|2.913426|2.298224|3.765776|3.758344|3.111703|5.079962|4.008236|0.119313|3.661414|35.019184|8.892295|12.201558|20.294950|36.858105| |1.790449|1.944165|3.090187|2.496983|4.126265|4.130337|3.583460|5.971030|4.674966|0.131892|4.076088|48.488655|13.865540|11.914674|11.860341|13.955097|53.358707| |1.636624|1.779932|2.773651|2.241104|3.781659|3.589432|3.104300|5.425975|3.737939|0.101763|3.312434|39.012746|7.234970|7.148694|7.278604|7.725722|17.675773|36.858105| |1.642926|1.813831|2.812266|2.319949|3.998052|3.679416|3.283170|6.017968|3.806743|0.097911|3.392136|42.231590|6.022887|5.919197|5.528954|5.043408|10.274603|12.462415|36.858105| |1.476502|1.619256|2.460398|2.004491|3.500207|3.081575|2.664563|4.961072|2.940643|0.076646|2.688817|29.055967|4.083058|4.426968|4.310411|3.844452|6.730490|7.566632|12.429918|36.858105| |1.348209|1.461427|2.205635|1.774676|3.093698|2.708971|2.292251|4.190427|2.555585|0.067640|2.420885|23.748589|3.560656|4.054509|4.131843|3.728092|6.028120|6.434027|7.510675|12.468474|36.858105| |1.344480|1.443250|2.186442|1.738319|2.989644|2.671977|2.228367|3.973783|2.534205|0.068861|2.391688|23.123052|3.767889|4.391100|4.727864|4.499306|6.858164|7.503696|6.427693|7.564206|12.466285|36.858105| |1.466749|1.576233|2.422914|1.932741|3.283011|3.035355|2.555317|4.460503|3.030244|0.083123|2.848151|28.367416|5.143209|5.846012|6.523631|6.933913|10.828113|12.421493|7.557909|6.494169|7.561846|12.442431|36.858105| |1.434881|1.521250|2.334323|1.829635|3.075334|2.865135|2.345856|4.010414|2.784940|0.079124|2.628657|24.358584|4.620969|5.801515|7.239363|7.975437|9.242670|7.539071|4.912253|4.375354|4.920082|7.567644|12.513201|36.858105| |1.322984|1.393152|2.114631|1.643699|2.776338|2.534903|2.045990|3.519402|2.371254|0.067352|2.262045|20.084765|3.584955|4.626398|5.627306|5.456366|6.489953|5.333435|3.944890|3.799069|4.471407|6.915877|8.011682|15.926284|73.516695| |1.548591|1.634497|2.535900|1.975413|3.271665|3.139119|2.546626|4.244931|3.106220|0.091163|2.905826|26.373636|5.480234|7.442081|10.856496|13.737313|10.822709|6.712821|4.417591|3.696873|3.834039|5.064776|7.720305|13.834921|15.045528|53.358707| |1.484440|1.543439|2.374543|1.815752|2.996377|2.845073|2.241350|3.713611|2.670318|0.079809|2.528349|21.273577|4.105472|6.002324|8.618199|7.527171|6.902601|4.451649|3.295905|2.904034|3.029623|3.852896|4.966591|7.786763|12.514941|17.410763|36.858105| |1.594715|1.642692|2.539019|1.912822|3.113793|3.004639|2.316301|3.777359|2.743418|0.084718|2.541716|21.037824|4.002558|6.166327|8.655359|6.376615|6.175848|3.838426|2.952285|2.582803|2.587183|3.122054|3.860432|5.132851|8.281580|10.238843|12.443326|36.858105| |1.474589|1.499408|2.283058|1.697378|2.777283|2.611508|1.978469|3.251642|2.276013|0.069581|2.142845|17.032789|3.032618|4.586220|5.842105|4.242931|4.534792|2.978583|2.408997|2.181792|2.213084|2.629429|3.063834|3.931080|6.898973|6.739532|7.626838|12.431040|36.858105| |1.389134|1.407872|2.132224|1.585892|2.609678|2.424951|1.833965|3.019829|2.109939|0.063802|2.046113|15.546496|2.730886|4.161189|5.255290|3.740772|4.033011|2.656757|2.198818|2.004816|2.069717|2.437710|2.817397|3.571411|6.412761|5.906266|6.465476|7.491539|12.421201|36.858105| |1.319023|1.348986|2.040643|1.536247|2.550573|2.350749|1.806005|3.002520|2.089447|0.062030|2.052442|15.743902|2.785076|4.145895|5.302988|3.977322|4.251316|2.855933|2.344043|2.154626|2.286479|2.754130|3.192564|4.221102|7.908781|6.746103|7.645938|6.463144|7.580510|12.410843|36.858105| |1.398054|1.445748|2.209293|1.684940|2.796035|2.615672|2.045392|3.392897|2.424674|0.071704|2.387701|18.690611|3.465806|5.172131|7.079816|5.538485|5.497241|3.585677|2.836116|2.541658|2.715336|3.351516|4.142835|5.866960|10.325853|10.241278|12.358391|7.422631|6.373462|7.384402|12.361797|36.858105| |1.472127|1.522278|2.341832|1.789641|2.958808|2.799476|2.184204|3.577466|2.639694|0.078383|2.684720|19.657715|3.671944|5.782229|7.964934|5.490978|5.483792|3.388487|2.768216|2.421389|2.543271|3.000188|3.758555|4.737609|7.759004|8.299487|7.327144|5.888674|4.978623|5.901595|7.465016|12.429673|36.858105| |1.287314|1.294138|1.936900|1.429245|2.363123|2.153290|1.613096|2.674755|1.817569|0.054542|1.768040|13.276554|2.247138|3.359394|4.024303|2.887077|3.273599|2.215461|1.884551|1.751770|1.810524|2.097770|2.340358|2.858423|5.258395|4.447599|4.378595|4.884576|7.524217|12.457188|7.533796|4.854416|4.149941|36.858105| |17.525343|8.779547|9.514452|4.685054|7.120329|5.332573|3.075211|4.981950|2.685169|0.078868|2.445033|15.971078|2.070373|2.923337|2.614301|1.773354|2.488129|1.668570|1.659898|1.491701|1.361227|1.365703|1.491547|1.468230|2.408018|2.166283|1.533449|1.664049|1.542189|1.442192|1.359284|1.435162|1.503044|1.337990|0.500000| |17.567199|8.854012|7.667711|4.183229|6.958428|4.573727|2.733134|4.572708|2.368631|0.067522|2.225312|14.274164|1.832389|2.560009|2.302206|1.576696|2.221807|1.507728|1.519334|1.379258|1.263823|1.256899|1.360352|1.330195|2.192662|1.940404|1.370253|1.464793|1.364166|1.289555|1.227629|1.295247|1.358342|1.202779|0.302178|0.500000| |17.565684|8.813944|9.592741|4.833017|7.474487|5.409622|3.092866|4.966722|2.720390|0.078904|2.589144|15.729319|2.038652|2.905623|2.588065|1.740858|2.434122|1.621822|1.619706|1.450727|1.333368|1.334364|1.462526|1.436804|2.354879|2.120099|1.498917|1.611173|1.492397|1.416039|1.342801|1.422324|1.510693|1.311762|0.300760|0.300805|0.500000| |8.845870|17.643591|12.602798|7.280497|13.188363|6.574106|3.751008|6.335202|3.018011|0.082770|2.849038|17.473239|2.140678|2.947042|2.575454|1.763992|2.538332|1.714490|1.762288|1.578545|1.429492|1.403421|1.528053|1.467612|2.393037|2.134193|1.476922|1.556710|1.422602|1.346168|1.298496|1.393929|1.473771|1.238704|0.172805|0.212028|0.211775|0.500000| |8.830235|17.538239|12.335900|6.783594|11.520963|6.410017|3.708935|6.356549|2.961085|0.082410|2.654705|17.759508|2.171206|2.956224|2.593597|1.792920|2.592919|1.765930|1.810935|1.629100|1.461732|1.437424|1.558039|1.497791|2.443697|2.175804|1.506024|1.599545|1.461431|1.365089|1.310331|1.402715|1.463276|1.257660|0.209690|0.213442|0.172924|0.303717|0.500000| |7.286641|9.105284|26.018444|9.437205|10.999415|10.692550|5.085285|7.578358|4.131195|0.123516|3.522557|22.564791|2.807485|3.962324|3.371367|2.252682|3.224709|2.108385|2.104600|1.834508|1.645307|1.646741|1.834309|1.783651|2.868480|2.662398|1.841992|1.997495|1.793709|1.661148|1.575133|1.700930|1.797480|1.506139|0.212235|0.145320|0.184147|0.180925|0.205116|0.500000| |4.114362|4.936166|10.769467|9.300427|10.893084|26.058488|9.355415|10.842886|7.679831|0.240489|5.962295|33.009525|3.947425|5.679357|4.461056|2.888616|4.207927|2.626489|2.616964|2.187082|1.947499|1.951102|2.239021|2.151311|3.381116|3.264227|2.198469|2.358603|2.047068|1.900018|1.822862|2.023967|2.185918|1.680632|0.113302|0.093393|0.116023|0.124285|0.120338|0.235464|0.500000| |2.365013|2.727357|4.511653|4.097023|7.038442|7.092514|6.963969|11.133882|8.797014|0.173479|17.594028|45.131946|4.869975|6.321142|4.872725|3.301299|5.115176|3.204648|3.436897|2.754733|2.469214|2.379127|2.779522|2.505656|3.861821|3.661340|2.328457|2.298707|1.959352|1.880565|1.908466|2.213318|2.458946|1.639584|0.063297|0.058989|0.067190|0.076776|0.071018|0.088315|0.136003|0.500000| |2.265956|2.515256|4.182557|3.546162|5.769280|6.278075|5.536091|8.165905|8.836485|0.214422|17.627977|45.087870|6.269381|9.375655|6.736078|4.210171|6.191401|3.552481|3.514171|2.758887|2.538482|2.553383|3.118409|2.908212|4.401931|4.450864|2.820861|2.797313|2.328217|2.245818|2.274202|2.697253|3.119390|1.913881|0.061879|0.056206|0.065166|0.069125|0.065096|0.085483|0.134091|0.299581|0.500000| |2.757194|3.133214|5.413040|4.751518|7.533170|8.664312|6.939185|9.445235|8.806350|0.211874|17.541321|36.006499|4.430786|6.491140|4.977931|3.174816|4.624075|2.818010|2.850271|2.334751|2.128937|2.115616|2.477334|2.337819|3.636766|3.526076|2.321568|2.372037|2.038048|1.960371|1.943449|2.219447|2.507833|1.711320|0.073600|0.067185|0.080535|0.087381|0.078555|0.107009|0.186714|0.300592|0.301461|0.500000| |1.641004|1.816555|2.820711|2.347455|4.072620|3.733306|3.373238|6.194728|3.986762|0.099718|3.730209|43.517539|6.025553|6.006607|5.503553|4.841673|9.475681|8.862276|17.541623|8.820592|6.754603|5.644132|6.805508|4.545620|6.549208|5.664915|3.141065|2.794335|2.296926|2.141739|2.300630|2.803457|2.820173|1.835776|0.045696|0.042146|0.045216|0.049461|0.050007|0.058099|0.073589|0.107845|0.108902|0.085453|0.500000| |1.464395|1.616163|2.440017|2.002898|3.546565|3.043140|2.644025|5.042845|2.842366|0.072808|2.626717|27.527804|3.620826|3.989085|3.803440|3.260505|5.573887|5.521849|8.883671|17.559170|8.807033|5.499423|4.863674|3.538045|5.599523|4.213773|2.510745|2.272157|1.950113|1.809640|1.932123|2.246747|2.175544|1.598255|0.040872|0.038137|0.039876|0.044032|0.045324|0.050083|0.059273|0.076353|0.073663|0.063582|0.215209|0.500000| |1.336075|1.449993|2.188300|1.768209|3.096259|2.698541|2.292005|4.193801|2.570641|0.067306|2.501030|23.556341|3.501726|4.024874|4.072099|3.600528|5.758127|5.641594|6.763585|8.854280|17.502881|8.845815|6.792981|4.543415|7.322966|4.950526|2.893792|2.462998|2.115477|2.014399|2.241021|2.677730|2.570044|1.762332|0.037276|0.034802|0.036858|0.039633|0.040099|0.045086|0.053842|0.071794|0.073429|0.060877|0.198499|0.214466|0.500000| |1.263305|1.347920|2.030343|1.604227|2.763705|2.447566|2.017124|3.582842|2.284714|0.062352|2.200120|20.073001|3.267311|3.953738|4.330232|4.000593|5.715721|5.497078|4.834159|5.498378|8.789054|17.618267|8.884922|7.017011|13.228260|6.371232|3.757902|2.982265|2.575843|2.444647|2.831514|3.422376|3.025807|2.120030|0.035597|0.032905|0.034948|0.036516|0.037196|0.042409|0.049859|0.060850|0.065637|0.054651|0.126628|0.123070|0.214050|0.500000| |1.649648|1.705879|2.642048|1.991077|3.232730|3.133084|2.420620|3.958799|2.839332|0.088025|2.550982|22.217516|4.190219|6.214884|8.154003|6.308577|6.513723|4.119567|3.129847|2.733516|2.676195|3.217980|3.937831|5.051158|8.018228|9.571409|8.857161|17.527924|8.821154|5.474711|4.855982|5.451673|4.532726|4.066089|0.048089|0.042037|0.045935|0.044627|0.046449|0.058083|0.068016|0.064174|0.076579|0.065817|0.080205|0.066365|0.069506|0.083326|0.500000| |1.393000|1.418879|2.144699|1.597270|2.631218|2.437568|1.853998|3.082388|2.104543|0.063507|1.973577|16.014585|2.794598|4.080967|5.043334|3.847004|4.259370|2.914847|2.363643|2.186390|2.236603|2.685146|3.041160|3.931276|7.213508|6.331491|6.882335|8.819748|17.483718|8.850058|6.823411|5.619202|4.207944|6.954894|0.040465|0.035973|0.038959|0.037430|0.038655|0.046650|0.052551|0.050698|0.059017|0.051989|0.061955|0.054112|0.058766|0.073527|0.214990|0.500000| |1.254956|1.284824|1.932793|1.455907|2.428809|2.213721|1.704541|2.859670|1.948876|0.057402|1.899442|14.888598|2.590106|3.750085|4.671897|3.638726|4.013061|2.795092|2.299595|2.157755|2.315530|2.824168|3.172467|4.235627|8.458123|6.339618|6.906572|5.682146|6.852411|8.881889|17.488703|8.843891|5.497211|6.984024|0.035952|0.032564|0.035326|0.034353|0.034849|0.041381|0.047341|0.049502|0.057823|0.049851|0.062048|0.053588|0.062405|0.081674|0.127583|0.202261|0.500000| |1.565775|1.609531|2.490227|1.887176|3.088524|2.967175|2.283102|3.685642|2.773293|0.084310|2.806159|19.999724|3.743218|6.212612|8.632515|5.331955|5.332989|3.203500|2.640527|2.287869|2.344762|2.713360|3.371903|4.109328|6.639231|7.398152|6.587574|6.385842|5.384257|6.327699|6.612415|8.674615|17.600187|4.347179|0.044573|0.039943|0.044826|0.043092|0.042760|0.053478|0.065274|0.070036|0.090578|0.073788|0.074311|0.057481|0.065381|0.074607|0.133753|0.119406|0.135627|0.500000| |1.515808|1.582758|2.449593|1.895895|3.142995|2.994356|2.376975|3.894978|2.932998|0.085930|3.030711|22.179570|4.257732|6.677622|9.256125|6.453304|6.402814|3.840934|3.128367|2.675058|2.812527|3.298536|4.298625|5.211079|8.060893|9.066609|6.591534|5.171306|4.153799|4.518874|5.449296|8.752819|17.592491|3.383471|0.042773|0.038771|0.043186|0.042719|0.042225|0.051940|0.064606|0.077230|0.100311|0.077140|0.090448|0.066584|0.080167|0.091650|0.117859|0.100760|0.123397|0.303947|0.500000| |1.387115|1.428179|2.178128|1.658986|2.759899|2.563702|1.986815|3.275547|2.360101|0.069298|2.442501|17.338261|3.095611|4.769645|6.062681|4.229999|4.538911|2.906974|2.456301|2.192703|2.326446|2.699669|3.249171|3.942365|6.748942|6.319971|5.415583|4.558875|4.226910|5.330235|6.937433|8.850375|17.533713|4.049763|0.039203|0.035720|0.039657|0.038594|0.038094|0.046193|0.055414|0.062896|0.078200|0.064176|0.070115|0.055402|0.065969|0.077049|0.101857|0.102352|0.144516|0.301529|0.302244|0.500000| |1.319421|1.317258|1.967803|1.440141|2.372129|2.161938|1.603536|2.649689|1.794069|0.054195|1.735811|12.943209|2.167073|3.256095|3.828459|2.700951|3.104068|2.091029|1.794199|1.664035|1.698802|1.943993|2.163014|2.585695|4.678425|4.035525|3.826858|4.523021|6.862256|8.768640|5.474437|4.018156|3.611400|17.537464|0.038267|0.034238|0.037371|0.034899|0.035536|0.042701|0.047077|0.044551|0.051815|0.047014|0.048451|0.042378|0.045855|0.054043|0.108543|0.172528|0.141717|0.108651|0.084073|0.096961|0.500000| |1.236459|1.241370|1.851475|1.366875|2.268167|2.051010|1.535252|2.550344|1.726362|0.051479|1.701950|12.524063|2.099453|3.136625|3.713379|2.650440|3.037013|2.060234|1.775094|1.655445|1.721125|1.977310|2.193259|2.638733|4.867165|4.036688|3.828286|4.046896|5.471519|8.768046|6.862321|4.503674|4.051154|17.539762|0.035544|0.032166|0.035118|0.033152|0.033433|0.039798|0.044407|0.044019|0.051294|0.045950|0.048489|0.042208|0.046952|0.055986|0.094649|0.141174|0.172553|0.116239|0.091538|0.115954|0.301598|0.500000| |1.228905|1.238403|1.845758|1.364971|2.266889|2.048026|1.540413|2.573553|1.723346|0.051343|1.667368|12.753988|2.140764|3.137944|3.724386|2.747031|3.159682|2.185633|1.860569|1.752707|1.823151|2.125526|2.329322|2.857136|5.395542|4.317109|4.211434|4.515649|6.794574|8.772818|6.816748|4.503203|3.678506|17.525140|0.035485|0.031996|0.034626|0.032937|0.033594|0.039793|0.044101|0.043254|0.049841|0.044645|0.050006|0.044334|0.048973|0.060018|0.108625|0.206155|0.207727|0.103154|0.085697|0.099444|0.301475|0.301543|0.500000| |1.632330|1.767958|2.742121|2.191828|3.684787|3.477803|2.951187|5.164170|3.440498|0.095770|2.973969|34.466217|6.044023|6.361184|6.564602|6.657735|12.509961|17.520034|8.903799|6.874194|5.694380|6.808045|8.857081|6.880716|9.263232|8.514181|4.422282|3.958826|3.086161|2.669395|2.815152|3.426451|3.136243|2.243628|0.046582|0.041831|0.044664|0.046953|0.049075|0.058370|0.070795|0.079307|0.086760|0.071793|0.174345|0.141045|0.131501|0.140095|0.124059|0.085479|0.077743|0.083610|0.095071|0.074987|0.059188|0.057293|0.062086|0.500000| |1.770445|1.977887|3.087729|2.580590|4.449789|4.121969|3.770076|7.070855|4.260651|0.107622|3.599346|51.166056|6.185101|5.954958|5.281509|4.567513|9.180861|8.828586|17.617245|8.890163|5.505545|4.840913|5.503442|4.074726|5.969822|5.289426|3.012975|2.812905|2.308572|2.088652|2.179037|2.585707|2.547614|1.802873|0.049731|0.045330|0.048136|0.053152|0.055210|0.064169|0.080106|0.101388|0.099921|0.083657|0.302805|0.215364|0.139486|0.106757|0.084143|0.062697|0.059190|0.068947|0.078882|0.062952|0.048183|0.047065|0.049314|0.216155|0.500000| |1.469253|1.606232|2.430627|1.963406|3.416630|2.998416|2.556188|4.748616|2.773395|0.073490|2.485948|26.846767|3.786940|4.177924|4.102203|3.642165|6.203481|6.821798|8.846457|17.504988|8.857818|6.810994|5.697563|4.180268|6.604123|4.857381|2.864670|2.591660|2.203449|1.994229|2.119903|2.460721|2.304704|1.753217|0.041474|0.038182|0.039900|0.043231|0.045175|0.050640|0.059209|0.069836|0.070230|0.060744|0.173496|0.303813|0.173765|0.139550|0.077698|0.062029|0.059519|0.060991|0.069435|0.057889|0.046454|0.045716|0.049048|0.203220|0.216833|0.500000| |1.267689|1.369853|2.048007|1.638476|2.871430|2.468087|2.062825|3.791885|2.253253|0.059866|2.140366|20.291632|2.979340|3.479561|3.549545|3.118054|4.862472|4.834067|5.481394|8.828045|17.549836|8.847653|5.506990|4.085513|6.997687|4.430436|2.687801|2.327166|2.036596|1.911526|2.104404|2.437886|2.268816|1.698106|0.035557|0.033176|0.034753|0.037265|0.038208|0.042370|0.049204|0.060786|0.061765|0.053007|0.138904|0.211131|0.303487|0.210786|0.066938|0.057752|0.059842|0.058337|0.068496|0.058403|0.044345|0.044953|0.047847|0.127577|0.123682|0.215068|0.500000| |1.333192|1.426574|2.154044|1.700831|2.917570|2.601276|2.148141|3.828798|2.410099|0.066234|2.234963|21.774368|3.518659|4.145281|4.476393|4.216376|6.304325|6.763326|5.636943|6.789170|8.836389|17.529865|8.861881|6.943138|12.070910|6.590241|3.831865|3.174398|2.698974|2.447771|2.724118|3.226108|2.819235|2.123541|0.037807|0.034665|0.036613|0.038347|0.039650|0.045287|0.052825|0.061290|0.065550|0.055429|0.130711|0.139308|0.173521|0.304787|0.093248|0.078085|0.078907|0.071858|0.083827|0.070352|0.054879|0.055054|0.060424|0.200495|0.126758|0.199937|0.215037|0.500000| |1.461260|1.572965|2.420142|1.941177|3.310907|3.053386|2.585434|4.508909|3.105967|0.083939|3.029469|28.607945|5.139818|5.932393|6.516449|6.515880|9.975669|8.965182|6.944410|5.778119|6.890248|8.867820|17.475919|9.048348|11.589650|9.120218|4.538825|3.549548|2.858960|2.717811|3.114921|4.098699|3.936180|2.260965|0.041020|0.037643|0.040682|0.042639|0.042947|0.050549|0.062535|0.083019|0.094018|0.072599|0.205301|0.129032|0.202937|0.214747|0.097288|0.077462|0.084322|0.096433|0.130975|0.095742|0.057943|0.059721|0.061847|0.174886|0.141525|0.133072|0.140679|0.173930|0.500000| |1.397998|1.452039|2.213648|1.689418|2.806410|2.615628|2.057359|3.453282|2.396387|0.070773|2.257956|19.289497|3.550970|4.974841|6.537145|5.804283|6.001691|4.216626|3.162643|2.896879|3.076511|4.017700|4.854288|7.824165|14.960682|12.822375|17.653641|9.031853|7.168627|5.916371|7.173870|9.031504|5.482566|4.338966|0.040160|0.036035|0.039033|0.038606|0.039598|0.047604|0.055657|0.058548|0.068790|0.057802|0.082313|0.069235|0.080132|0.110681|0.216575|0.213569|0.214145|0.136780|0.139182|0.124424|0.104256|0.104217|0.123143|0.120936|0.080047|0.080815|0.077097|0.115246|0.118580|0.500000| |1.707947|1.756349|2.742620|2.061468|3.323531|3.276547|2.507684|4.017580|3.029209|0.095757|2.821792|22.436702|4.358318|7.257139|10.704516|6.638171|6.318243|3.706258|2.911412|2.493424|2.464567|2.892866|3.619590|4.527068|7.088500|9.033047|8.770667|17.650804|8.844882|6.734690|5.657590|6.663107|6.395708|4.498995|0.049488|0.043294|0.048252|0.046177|0.047112|0.060193|0.072553|0.069538|0.087388|0.073559|0.077921|0.061619|0.066128|0.076442|0.303929|0.173607|0.131308|0.218743|0.157276|0.134192|0.119432|0.107393|0.110681|0.103175|0.077953|0.068647|0.061287|0.080070|0.095532|0.175002|0.500000| |1.529407|1.541986|2.345062|1.723860|2.803971|2.641236|1.971646|3.222685|2.244360|0.069357|2.098077|16.446033|2.865780|4.372622|5.344191|3.744395|4.143992|2.710416|2.238924|2.026425|2.024171|2.351863|2.707667|3.316245|5.743221|5.561643|5.534714|8.853915|17.528440|8.814590|5.507116|4.790300|4.146501|6.882652|0.044731|0.039253|0.043016|0.040422|0.041711|0.051561|0.057916|0.053023|0.062662|0.056042|0.059293|0.050794|0.053781|0.063496|0.212491|0.303421|0.140262|0.129398|0.098996|0.100499|0.206003|0.140788|0.168205|0.078523|0.060578|0.057123|0.052016|0.067246|0.070525|0.144699|0.215563|0.500000| |1.456198|1.471117|2.238048|1.659577|2.717220|2.547909|1.914332|3.122154|2.219566|0.067725|2.174733|15.989026|2.817513|4.423682|5.591524|3.767300|4.045298|2.596127|2.170090|1.952765|1.997610|2.314971|2.707721|3.334922|5.796711|5.617746|5.723198|6.857924|8.925190|17.503184|8.880576|6.732752|6.521524|8.943292|0.041950|0.037419|0.041491|0.039087|0.039368|0.048500|0.055957|0.055001|0.066820|0.058328|0.059349|0.049280|0.054505|0.064077|0.140292|0.174456|0.174353|0.220553|0.135131|0.164239|0.213772|0.213653|0.173743|0.071477|0.057606|0.053549|0.051009|0.063785|0.073846|0.136174|0.201306|0.215644|0.500000| |1.265219|1.290530|1.943280|1.461274|2.435233|2.222570|1.701613|2.834412|1.958314|0.057749|1.955656|14.566233|2.525804|3.760017|4.666935|3.434996|3.782465|2.553439|2.149217|1.987957|2.120562|2.506521|2.859293|3.616528|6.777666|5.557823|5.537031|4.839207|5.507310|8.811446|17.527127|8.828089|7.045254|6.916329|0.036079|0.032798|0.035910|0.034658|0.034735|0.041473|0.047832|0.050769|0.060272|0.051802|0.059361|0.050056|0.058480|0.072403|0.106777|0.139964|0.303930|0.170657|0.143282|0.216090|0.141084|0.206939|0.169615|0.069095|0.055555|0.053951|0.054542|0.068077|0.079343|0.144728|0.126359|0.123311|0.213809|0.500000| 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