Version2.1 2021-01-26T12:46:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 21-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COCCN1CCn2c3ccc(cc3[nH+]c2C1)N[C@H]4c5ccc(c(c5C(=O)O4)OC)OC C36370002 RHF 6-31G(d) (6D,7F) COCCN1CCn2c3ccc(cc3[nH+]c2C1)N[C@H]4c5ccc(c(c5C(=O)O4)OC)OC C01[X(C23H27N4O5)] 171 C1 534 COCCN1CCn2c(C1)[nH+]c1c2ccc(c1)N[C@@H]1OC(=O)c2c1ccc(c2OC)OC COCCN1CCn2c(C1)[nH+]c1c2ccc(c1)N[C@@H]1OC(=O)c2c1ccc(c2OC)OC COCCN1CCn2c(C1)[nH+]c3cc(N[C@@H]4OC(=O)c5c4ccc(OC)c5OC)ccc23 InChIKey=IOXLDYNITFYDHD-JOCHJYFZSA-O InChI=1S/C23H26N4O5/c1-29-11-10-26-8-9-27-17-6-4-14(12-16(17)25-19(27)13-26)24-22-15-5-7-18(30-2)21(31-3)20(15)23(28)32-22/h4-7,12,22,24H,8-11,13H2,1-3H3/p+1/t22-/m1/s1 InChI=1/C23H26N4O5/c1-29-11-10-26-8-9-27-17-6-4-14(12-16(17)25-19(27)13-26)24-22-15-5-7-18(30-2)21(31-3)20(15)23(28)32-22/h4-7,12,22,24H,8-11,13H2,1-3H3/p+1/t22-/m1/s1/fC23H27N4O5/h25H/q+1 COCCN1CCn2c3ccc(cc3[nH+]c2C1)N[C@H]4c5ccc(c(c5C(=O)O4)OC)OC C01[X(C23H27N4O5)] 171 C01 534 COCCN1CCn2c(C1)[nH+]c1c2ccc(c1)N[C@@H]1OC(=O)c2c1ccc(c2OC)OC COCCN1CC[N@@]2[C]([NH][C]3[C]2[CH][CH][C]([CH]3)N[C@@H]2OC(=O)[C]3[C]2[CH][CH][C]([C]3OC)OC)C1 COCCN1CCN2[C](C1)N[C]3[CH][C]([CH][CH][C]23)N[C@@H]4OC(=O)[C]5[C]4[CH][CH][C](OC)[C]5OC InChIKey=GHLSKYNHPFTHFD-JOCHJYFZSA-N InChI=1S/C23H27N4O5/c1-29-11-10-26-8-9-27-17-6-4-14(12-16(17)25-19(27)13-26)24-22-15-5-7-18(30-2)21(31-3)20(15)23(28)32-22/h4-7,12,22,24-25H,8-11,13H2,1-3H3/t22-/m1/s1 InChI=1/C23H27N4O5/c1-29-11-10-26-8-9-27-17-6-4-14(12-16(17)25-19(27)13-26)24-22-15-5-7-18(30-2)21(31-3)20(15)23(28)32-22/h4-7,12,22,24-25H,8-11,13H2,1-3H3/t22-/m1/s1 3082.4499541606 -1478.5972881 1-A 26614.2574 116 418 534 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.68215 -20.66207 -20.65570 -20.64001 -20.61961 -15.79244 -15.78716 -15.68837 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2598.15 2602.86 2641.26 2988.45 4497.66 4520.73 4532.73 4558.60 4590.97 4623.95 4625.51 4649.80 4672.53 4702.76 4711.56 4719.83 4721.74 4750.60 4756.05 4756.36 4784.42 4785.14 4815.90 4820.36 4867.67 4868.20 4897.46 4912.72 4934.41 5511.48 5567.42 0.526093 0.553744 0.554688 0.464850 -1478.071195 -1478.043544 -1478.042600 -1478.132438 3.013181D-04 MUNgauss RevisionA2.0 retrievium 26-Jan-2021 DUDE COCCN1CCn2c3ccc(cc3[nH+]c2C1)N[C@H]4c5ccc(c(c5C(=O)O4)OC)OC C36370002 RHF 6-31G(d) (6D,10F) C1 439.198145 |X|Y|Z| 48.899903 153.886847 23.275771 55.950571 23 6 7 8 18 4 1 |36.858105| |13.603924|73.516695| |8.132210|24.393448|36.858105| |5.198904|14.226608|12.523494|36.858105| |4.547336|12.032920|7.607943|13.065690|53.358707| |3.412939|8.089616|5.015510|7.858502|17.897323|36.858105| |3.027996|6.849064|3.881854|5.115186|10.681732|12.514340|36.858105| |3.068678|6.795873|3.767452|4.559333|9.510645|7.835424|12.993048|53.358707| |2.629965|5.529218|3.009297|3.429527|6.324838|5.034294|7.400038|18.526086|36.858105| |2.259731|4.639904|2.521416|2.852462|4.957232|4.077051|5.866251|10.140029|13.696811|36.858105| |2.037329|4.070989|2.203439|2.416430|4.035151|3.186619|4.148739|6.969095|8.088968|13.899854|36.858105| |2.053079|4.041867|2.180656|2.331227|3.848932|2.913247|3.587780|6.274121|6.891482|7.796667|13.450351|36.858105| |2.316780|4.584397|2.470434|2.612200|4.383050|3.201264|3.854000|7.277790|7.832948|6.694060|7.849706|13.744376|36.858105| |2.667433|5.470422|2.959608|3.211531|5.709268|4.158104|5.205756|11.642939|13.828136|7.922956|7.016775|8.076497|13.743323|36.858105| |3.169526|6.641973|3.624937|3.874303|7.096298|4.717672|5.350056|12.033745|8.628930|5.388348|4.670322|5.133500|7.535273|13.684126|53.358707| |3.246045|6.589509|3.596359|3.652643|6.282032|4.021238|4.272706|8.341322|6.000691|4.275131|3.935768|4.500548|6.570881|8.912484|25.999863|0.500000| |3.528058|7.910603|4.417392|5.102733|10.853710|6.984937|7.798240|19.823019|8.652881|5.335496|4.234469|4.211632|5.329874|8.597570|19.549170|0.256402|36.858105| |4.387957|10.661103|6.532780|7.803214|18.005848|7.961440|6.471970|10.477303|5.220930|3.830359|3.185655|3.169787|3.817062|5.184208|10.270361|0.188047|12.716809|36.858105| |1.818210|3.509127|1.895765|1.997405|3.197280|2.404320|2.851416|4.697380|4.591294|5.185873|7.949771|13.729070|7.831832|5.207361|5.247615|0.099596|3.249953|2.597966|53.358707| |1.760801|3.345228|1.808769|1.870633|2.943078|2.166440|2.481330|4.061054|3.733060|3.886332|5.108752|7.731636|6.576683|4.452930|4.848297|0.096842|2.945698|2.424475|18.205115|36.858105| |1.777026|3.382902|1.850214|1.914266|3.008833|2.212576|2.500932|4.132928|3.750288|3.762611|4.727330|7.011121|6.782068|4.611775|5.119262|0.103948|3.056027|2.518956|12.686937|17.614364|0.500000| |1.555134|2.923220|1.584012|1.631714|2.519674|1.862356|2.103194|3.317217|2.933951|3.117092|3.951968|5.072257|4.343577|3.307874|3.783327|0.076083|2.393276|2.035198|10.634202|12.649507|0.244575|36.858105| |1.420374|2.672449|1.460568|1.514113|2.320252|1.736660|1.951698|3.014847|2.629744|2.846651|3.555813|4.216479|3.571720|2.862002|3.315985|0.066205|2.150433|1.851741|8.188493|7.278160|0.174837|13.893996|36.858105| |1.304064|2.432868|1.328290|1.368666|2.072262|1.545310|1.716788|2.607259|2.220192|2.384794|2.872098|3.266804|2.866342|2.384870|2.837615|0.057073|1.868047|1.638951|5.822922|4.972775|0.123618|8.040280|13.669361|36.858105| |1.292892|2.391502|1.297334|1.324238|1.994113|1.471164|1.624185|2.462903|2.074005|2.194911|2.597230|2.963759|2.675491|2.243073|2.708974|0.055023|1.781995|1.576632|5.122469|4.485719|0.110175|6.893238|7.844475|13.716616|36.858105| |1.394863|2.571145|1.384039|1.403042|2.119991|1.547361|1.710576|2.623697|2.216921|2.313833|2.741285|3.222660|2.963515|2.444007|2.952891|0.060462|1.916621|1.688481|5.585022|5.194239|0.122829|7.875431|6.748012|7.865593|13.538180|36.858105| |1.538148|2.856043|1.534131|1.559927|2.386445|1.739233|1.942948|3.040537|2.626062|2.732936|3.326512|4.136947|3.768678|2.966345|3.501572|0.071572|2.224277|1.922473|7.625642|8.131755|0.173559|13.764839|7.949547|6.965519|8.007735|13.820000|36.858105| |1.718081|3.179747|1.688691|1.700894|2.617435|1.876268|2.097312|3.340147|2.887184|2.915726|3.493844|4.505652|4.368970|3.373162|4.003308|0.082988|2.486205|2.133925|7.707597|8.220335|0.176628|8.203972|5.246363|4.538745|4.995538|7.355994|12.845727|36.858105| |1.742972|3.185202|1.676311|1.667344|2.542716|1.799847|1.990374|3.140632|2.648254|2.632137|3.041322|3.755636|3.782461|3.070226|3.769517|0.079179|2.364929|2.065767|5.919372|5.555536|0.131008|5.484358|4.019803|3.706275|4.223256|6.067156|7.859139|16.190070|73.516695| |1.878044|3.527087|1.877310|1.907453|2.990058|2.147161|2.435219|4.002741|3.584975|3.572169|4.407946|6.339729|6.310749|4.401341|4.988945|0.102601|2.984205|2.479732|10.942862|13.390657|0.262040|8.267165|5.211086|4.132908|4.130484|5.255605|8.360901|14.064910|15.272551|73.516695| |1.362396|2.486565|1.332514|1.338522|2.005411|1.451196|1.589224|2.420169|2.009748|2.069970|2.389861|2.760561|2.614534|2.210513|2.728697|0.056368|1.783009|1.592217|4.529463|4.046799|0.099208|5.221799|4.578402|5.226492|7.989166|14.222939|8.008013|6.269632|10.989224|7.847084|73.516695| |1.340056|2.438880|1.298685|1.303509|1.947933|1.409624|1.546947|2.331976|1.926238|1.998963|2.289070|2.576614|2.420927|2.084469|2.578339|0.052894|1.706215|1.530130|4.135646|3.475973|0.084376|4.234340|3.803345|4.277525|5.952712|8.107167|5.856648|5.161629|9.673493|6.802007|23.927422|36.858105| |1.195276|2.198377|1.193416|1.214095|1.811857|1.335218|1.461682|2.189317|1.814599|1.912196|2.212234|2.460406|2.256615|1.941183|2.382626|0.048517|1.586606|1.422328|4.066936|3.416748|0.086473|4.646064|5.180009|7.889208|14.232830|8.209049|5.334653|3.883703|6.262103|5.793115|12.723483|5.913230|73.516695| |1.113558|2.050982|1.119802|1.143519|1.699230|1.260176|1.374286|2.038975|1.678629|1.776633|2.036302|2.218457|2.031516|1.774120|2.187159|0.044377|1.471248|1.326570|3.601239|2.927557|0.075923|3.808654|4.501838|6.710105|8.005879|5.247107|4.005474|3.088107|5.009135|4.848247|8.344074|4.189580|24.120680|36.858105| |17.513493|16.422794|7.221888|4.675561|5.695661|3.177667|2.834112|4.022557|2.566809|2.193083|2.000247|2.047575|2.338888|2.670581|4.390885|0.094642|3.486977|4.348041|2.479947|1.785963|0.050445|1.574923|1.434629|1.316987|1.307940|1.414631|1.561328|1.750197|3.164021|3.401373|2.460794|1.353478|2.148652|1.124477|0.500000| |17.639460|16.872990|5.870047|4.346904|5.561009|3.169743|2.933970|4.082113|2.625406|2.277843|2.068275|2.087758|2.343824|2.668600|4.231134|0.088123|3.387236|3.967291|2.525122|1.796635|0.049905|1.589299|1.444748|1.329236|1.324639|1.436373|1.583482|1.780780|3.237670|3.442973|2.504823|1.394400|2.178170|1.137145|0.299586|0.500000| |17.539184|16.452268|7.214176|4.793822|5.417312|3.119413|2.738891|3.683610|2.337431|2.045472|1.850558|1.851656|2.058685|2.342562|3.705463|0.076871|3.027475|3.712025|2.252837|1.603057|0.044923|1.430288|1.316500|1.215351|1.204854|1.292683|1.414814|1.565440|2.821551|3.017441|2.249030|1.247347|1.990378|1.047714|0.299515|0.299853|0.500000| |7.136714|16.568788|17.468563|8.783231|8.967793|4.534693|3.605750|5.004339|2.985370|2.476558|2.191498|2.207209|2.540346|3.030932|5.197524|0.108940|4.509542|6.856516|2.618697|1.856478|0.053267|1.619951|1.489973|1.352770|1.321491|1.412341|1.568868|1.731491|3.054618|3.431910|2.417282|1.316473|2.157964|1.137788|0.211533|0.146292|0.170873|0.500000| |7.400050|16.510182|17.509804|8.986587|7.625845|4.197021|3.307369|4.281912|2.587616|2.226629|1.967712|1.941841|2.165567|2.535077|4.092302|0.083169|3.547123|4.817581|2.329773|1.639430|0.046509|1.452610|1.348306|1.234663|1.208016|1.283521|1.411286|1.542612|2.729674|3.016541|2.205161|1.212144|1.986762|1.052532|0.180878|0.148535|0.220225|0.303134|0.500000| |4.273287|10.257566|8.951096|17.429211|12.236111|7.099357|4.587386|5.608217|3.174549|2.673378|2.286063|2.211070|2.466655|2.993596|4.868798|0.094659|4.574097|6.715017|2.598946|1.796415|0.051490|1.574481|1.471492|1.331501|1.283522|1.352231|1.498563|1.620280|2.811565|3.224235|2.289318|1.248736|2.095400|1.115103|0.112339|0.100029|0.113330|0.218500|0.215825|0.500000| |4.838544|12.561251|8.950904|17.603619|12.652583|7.225308|4.917112|5.603343|3.174099|2.726832|2.307848|2.193067|2.404170|2.906067|4.568103|0.087150|4.297874|5.725105|2.576392|1.762527|0.049671|1.551543|1.446875|1.314301|1.272827|1.344361|1.486415|1.612392|2.814996|3.189137|2.284257|1.259176|2.082376|1.105884|0.115684|0.116179|0.130276|0.174173|0.223403|0.301271|0.500000| |3.055179|6.950270|4.500484|6.672234|12.225010|17.433105|8.830801|9.227285|4.690936|3.848137|3.071372|2.836616|3.119756|3.991510|6.160227|0.108947|6.348588|7.206243|3.212022|2.140114|0.061530|1.843732|1.732169|1.538879|1.456671|1.523108|1.709447|1.828265|3.099387|3.722291|2.530815|1.373691|2.350276|1.253173|0.081221|0.078103|0.078507|0.119354|0.107502|0.196629|0.163238|0.500000| |3.286747|7.682166|4.758063|7.510417|12.512426|17.620656|8.970622|7.746727|4.104825|3.554694|2.838771|2.574016|2.757568|3.429746|5.112182|0.091650|5.071289|5.740671|2.953188|1.959804|0.055184|1.711392|1.608026|1.443853|1.378061|1.443254|1.607004|1.722268|2.951474|3.455545|2.416894|1.328742|2.238021|1.192842|0.083291|0.084989|0.085889|0.114696|0.116540|0.189914|0.229936|0.301912|0.500000| |2.592334|5.656490|3.255866|4.176689|7.707538|8.807701|17.623098|12.505642|6.848433|6.188978|4.304523|3.575048|3.678236|4.739462|6.210480|0.103390|5.939959|4.979685|3.901402|2.459968|0.068951|2.103721|1.980519|1.738708|1.628660|1.696791|1.920220|2.037880|3.405726|4.193564|2.783833|1.522263|2.605652|1.387129|0.068103|0.069916|0.066292|0.085341|0.079530|0.109808|0.113666|0.219662|0.206659|0.500000| |3.108232|7.006455|3.774747|4.794766|9.350154|8.822188|17.623391|12.498324|6.450713|5.561459|4.014804|3.437766|3.612080|4.683575|6.390415|0.107114|6.313163|5.462942|3.768279|2.403740|0.066125|2.056039|1.902629|1.685610|1.606183|1.697452|1.920182|2.081594|3.542021|4.252361|2.819144|1.559150|2.578472|1.360494|0.079052|0.085583|0.078172|0.094807|0.090308|0.114832|0.135452|0.173566|0.220924|0.299687|0.500000| |2.174002|4.478495|2.446775|2.815397|4.827360|4.150110|6.143512|8.889605|8.806329|17.743757|8.945869|5.577434|4.860535|5.621678|5.934149|0.099165|4.613216|3.535479|5.729444|3.264623|0.087614|2.742203|2.568710|2.196370|2.023734|2.106525|2.432399|2.552291|4.147974|5.364224|3.376252|1.853002|3.175329|1.676638|0.057975|0.060784|0.055291|0.065778|0.060666|0.073469|0.076417|0.107874|0.103931|0.196825|0.167683|0.500000| |1.848666|3.657050|1.983394|2.168848|3.536714|2.812971|3.575180|5.586402|5.712126|9.011813|17.732016|8.878641|5.626380|5.027793|5.033059|0.089518|3.451593|2.728005|10.045768|4.756901|0.119051|3.961703|3.714334|3.016647|2.687181|2.775411|3.303400|3.329996|5.141355|7.132114|4.265791|2.320456|4.075612|2.127956|0.050284|0.052245|0.047118|0.054552|0.049815|0.057326|0.058264|0.075648|0.071355|0.105416|0.097951|0.216597|0.500000| |2.280923|4.422515|2.380115|2.454441|4.011907|2.854384|3.281684|5.935523|5.605789|4.865497|5.584325|8.841926|17.787405|8.871786|9.068520|0.185213|4.643920|3.540721|9.551094|7.289792|0.223221|4.646823|3.677337|2.962702|2.812647|3.190254|4.142230|5.051066|7.731234|13.826474|5.027498|2.566571|4.194300|2.098961|0.064938|0.064191|0.056225|0.068947|0.058225|0.064691|0.062449|0.077815|0.068985|0.086413|0.086085|0.106073|0.123446|0.500000| |5.400382|13.130973|7.380923|7.036854|12.511762|5.738602|4.998479|8.029681|4.491992|3.406936|2.938146|2.999761|3.649011|4.738412|9.459045|0.194551|9.060111|17.626365|3.405900|2.380918|0.068437|2.005386|1.809494|1.611463|1.566042|1.691461|1.922835|2.163084|3.775772|4.434041|2.861372|1.549362|2.518098|1.314804|0.153800|0.133752|0.119756|0.230144|0.144743|0.162493|0.146693|0.143818|0.128177|0.110893|0.127405|0.086825|0.070417|0.097231|0.500000| |3.848696|8.752288|5.842956|6.873652|12.151259|6.837905|5.391020|8.443874|4.578230|3.476995|2.960074|2.977025|3.569079|4.662819|8.928039|0.173916|9.042491|17.400624|3.374821|2.342167|0.068716|1.977790|1.814558|1.607232|1.539624|1.638573|1.858376|2.041244|3.495875|4.202872|2.742171|1.472045|2.473096|1.303605|0.109573|0.095243|0.093487|0.185397|0.126505|0.193118|0.140376|0.204159|0.142395|0.125373|0.123707|0.089470|0.071118|0.093548|0.300046|0.500000| |1.733465|3.333062|1.791767|1.888487|2.999638|2.267486|2.696785|4.305025|4.112359|4.864364|7.418695|9.426586|5.892482|4.381509|4.569054|0.086585|2.931664|2.386062|25.995198|9.286926|0.183070|7.491074|6.138827|4.496421|3.953618|4.247339|5.605179|5.387920|7.511088|11.944050|6.085533|3.214517|5.580281|2.774776|0.047933|0.049399|0.044062|0.050091|0.045214|0.050016|0.050239|0.061365|0.057609|0.075770|0.074071|0.114715|0.221945|0.147414|0.063986|0.062892|0.500000| |1.412019|2.674697|1.472393|1.540085|2.366419|1.792060|2.020846|3.111593|2.727201|2.994898|3.762908|4.343392|3.605270|2.923412|3.360998|0.066413|2.196264|1.884375|8.220870|6.490687|0.168629|8.886167|17.728265|8.885383|5.608917|4.887778|5.634183|4.267671|6.029826|8.038329|6.469371|3.142745|7.437864|3.907311|0.039546|0.039690|0.036419|0.041698|0.037756|0.041773|0.040879|0.050004|0.046048|0.057642|0.054283|0.075397|0.110935|0.100303|0.050619|0.051583|0.167778|0.500000| |1.227226|2.290314|1.256405|1.298506|1.956246|1.467411|1.623203|2.437075|2.055495|2.217278|2.630907|2.902515|2.556570|2.175234|2.608919|0.052323|1.738700|1.537083|4.978103|4.029985|0.103919|5.708028|8.953645|17.766787|8.925042|5.615042|5.003780|3.616883|5.454041|6.023452|7.503336|3.628700|12.608854|7.501070|0.034378|0.034651|0.031912|0.035493|0.032569|0.035231|0.034736|0.040747|0.038265|0.045964|0.044215|0.057495|0.077583|0.072469|0.041822|0.042046|0.106865|0.216292|0.500000| |1.269408|2.317152|1.238129|1.249194|1.864020|1.358859|1.493404|2.232451|1.843156|1.935657|2.218922|2.451242|2.266769|1.967012|2.424574|0.049376|1.619401|1.454212|3.944388|3.221036|0.078463|3.989814|3.797630|4.477981|6.287712|7.189153|5.125391|4.302192|7.659972|6.019047|16.414449|17.599305|12.225853|4.842137|0.035489|0.036612|0.032949|0.034759|0.032187|0.033314|0.033641|0.036839|0.035720|0.041087|0.041841|0.050296|0.063459|0.065706|0.040670|0.038925|0.086641|0.087881|0.108295|0.500000| |1.428047|2.603033|1.376563|1.381680|2.075674|1.498442|1.655937|2.506265|2.082792|2.166235|2.492124|2.813725|2.631750|2.255815|2.770853|0.056629|1.828977|1.629603|4.504671|3.730403|0.088366|4.378196|3.769738|4.003342|5.157818|7.141024|6.075861|5.857958|11.422662|7.577838|16.438528|17.595189|8.466211|3.576741|0.039942|0.041490|0.036785|0.038647|0.035570|0.036569|0.037103|0.040317|0.039185|0.045071|0.046631|0.055554|0.069979|0.077210|0.045927|0.043220|0.098491|0.087233|0.093896|0.297680|0.500000| |1.304155|2.356422|1.253679|1.250510|1.855714|1.335884|1.453636|2.181037|1.779305|1.827387|2.058104|2.299651|2.201953|1.924786|2.416986|0.049907|1.606616|1.455870|3.595017|2.999521|0.074702|3.505097|3.182572|3.534637|4.682229|5.916799|4.621244|4.356928|8.592890|5.930856|16.906611|17.666167|8.715173|3.695605|0.036672|0.037745|0.033800|0.035339|0.032613|0.033292|0.033574|0.036158|0.035070|0.039601|0.040736|0.047256|0.057540|0.065090|0.041162|0.038958|0.076472|0.075044|0.085981|0.299474|0.299926|0.500000| |1.105808|2.038970|1.118605|1.143295|1.697486|1.260333|1.369441|2.035319|1.672821|1.761856|2.014020|2.203753|2.031706|1.774446|2.193888|0.044626|1.473149|1.329927|3.565460|2.926340|0.077689|3.780814|4.587819|6.721896|7.077077|4.792672|3.839566|2.978796|4.789317|4.768669|7.479635|3.616813|16.436108|17.572288|0.031099|0.031248|0.028909|0.031671|0.029208|0.031085|0.030633|0.034990|0.033076|0.038469|0.037440|0.046095|0.058141|0.058531|0.036545|0.036503|0.074958|0.113247|0.223091|0.110174|0.087629|0.090272|0.500000| |1.107428|2.047157|1.117949|1.147253|1.708042|1.274254|1.396496|2.062106|1.703170|1.824447|2.099795|2.253813|2.032162|1.780658|2.180702|0.043917|1.475209|1.326526|3.665917|2.892838|0.074342|3.735113|4.548619|6.690263|6.974767|4.706438|3.784062|2.943710|4.742902|4.715524|7.303703|3.849628|16.419077|17.566472|0.030947|0.031416|0.028970|0.031444|0.029194|0.031064|0.030908|0.035171|0.033578|0.039345|0.038474|0.048123|0.061833|0.057550|0.036367|0.036144|0.079858|0.112673|0.226795|0.125819|0.094704|0.093313|0.298435|0.500000| 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