Version2.0 2020-07-25T21:15:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 20-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)C[C@@H](C(=O)NCCc1ccccc1F)N2C(=O)[C@@]3(c4c(c5ccccc5[nH]4)CCN3C2=O)C C12873085 RHF 6-31G(d) (6D,7F) CC(C)C[C@@H](C(=O)NCCc1ccccc1F)N2C(=O)[C@@]3(c4c(c5ccccc5[nH]4)CCN3C2=O)C C01[X(C28H31F1N4O3)] 195 C1 602 CC(C[C@H](N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)C(=O)NCCc1ccccc1F)C CC(C[C@H](N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)C(=O)NCCc1ccccc1F)C CC(C)C[C@H](N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O)C(=O)NCCc5ccccc5F InChIKey=XFVYGPGMASJUSM-FIPFOOKPSA-N InChI=1S/C28H31FN4O3/c1-17(2)16-23(25(34)30-14-12-18-8-4-6-10-21(18)29)33-26(35)28(3)24-20(13-15-32(28)27(33)36)19-9-5-7-11-22(19)31-24/h4-11,17,23,31H,12-16H2,1-3H3,(H,30,34)/t23-,28-/m0/s1 InChI=1/C28H31FN4O3/c1-17(2)16-23(25(34)30-14-12-18-8-4-6-10-21(18)29)33-26(35)28(3)24-20(13-15-32(28)27(33)36)19-9-5-7-11-22(19)31-24/h4-11,17,23,31H,12-16H2,1-3H3,(H,30,34)/t23-,28-/m0/s1/f/h30H CC(C)C[C@@H](C(=O)NCCc1ccccc1F)N2C(=O)[C@@]3(c4c(c5ccccc5[nH]4)CCN3C2=O)C C01[X(C28H31F1N4O3)] 195 C01 602 CC(C[C@H](N1C(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1CC2)cccc3)C(=O)NCCc1ccccc1F)C CC(C[C@H](N1C(=O)N2[C@@](C1=O)(C)C1=[C]([C]3[C]([CH][CH][CH][CH]3)N1)CC2)C(=O)NCC[C]1[CH][CH][CH][CH][C]1F)C CC(C)C[C@H](N1C(=O)N2CCC3=C(N[C]4[CH][CH][CH][CH][C]34)[C@@]2(C)C1=O)C(=O)NCC[C]5[CH][CH][CH][CH][C]5F InChIKey=XFVYGPGMASJUSM-FIPFOOKPSA-N InChI=1S/C28H31FN4O3/c1-17(2)16-23(25(34)30-14-12-18-8-4-6-10-21(18)29)33-26(35)28(3)24-20(13-15-32(28)27(33)36)19-9-5-7-11-22(19)31-24/h4-11,17,23,31H,12-16H2,1-3H3,(H,30,34)/t23-,28-/m0/s1 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3228.5029 3233.4282 3250.7201 3254.8350 3258.4651 3261.8119 3268.0724 3276.0488 3282.7876 3284.4065 3302.1710 3305.1873 3312.0681 3318.1026 3333.4703 3353.2570 3361.7883 3362.0331 3373.6507 3373.7500 3385.6513 3388.1389 3400.2213 3889.2086 3925.3057 6.6285 6.0775 5.4278 5.1688 4.0554 5.4295 4.3263 3.7110 3.6115 4.0947 6.3569 6.4998 3.8754 5.3488 6.1235 6.2404 3.1804 3.5905 3.8531 4.1764 3.6854 1.2735 1.9684 1.1989 1.4523 2.4287 2.0217 2.7754 3.6033 4.2632 3.7211 3.6993 3.9310 7.1214 1.7646 2.8580 4.8856 4.3588 2.6294 1.8677 1.6413 3.1836 3.2189 3.8617 3.2586 3.2512 4.5044 4.7703 4.6663 5.7101 4.2616 5.2655 3.6468 5.0482 6.1966 5.6171 4.7044 3.3611 5.3078 4.4276 2.8734 3.5124 1.7510 3.6568 3.8822 1.5418 3.4296 1.6866 3.9677 2.1480 5.7516 2.8395 3.0401 4.6412 2.9569 1.4608 1.4309 2.6163 2.8652 1.2675 3.2783 2.0790 2.1478 1.4958 1.4320 2.0770 1.4384 2.3343 1.2986 1.3661 2.0980 3.2058 2.2967 2.0062 2.1519 2.8238 3.3239 2.3237 2.4773 2.4518 1.7228 1.6853 1.5849 1.9704 2.1554 3.3336 2.2754 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4652.18 4677.06 4682.98 4688.20 4693.02 4702.03 4713.50 4723.20 4725.53 4751.09 4755.43 4765.33 4774.01 4796.12 4824.59 4836.86 4837.22 4853.93 4854.07 4871.20 4874.78 4892.16 5595.70 5647.64 0.596575 0.627462 0.628406 0.529708 -1619.696053 -1619.665167 -1619.664222 -1619.762921 3.310381D-04 MUNgauss RevisionA2.0 retrievium 25-Jul-2020 DUDE CC(C)C[C@@H](C(=O)NCCc1ccccc1F)N2C(=O)[C@@]3(c4c(c5ccccc5[nH]4)CCN3C2=O)C C12873085 RHF 6-31G(d) (6D,10F) C1 490.238019 |X|Y|Z| 144.933674 54.379822 37.966490 66.886096 27 6 7 23 4 |36.858105| |12.435563|36.858105| |7.561857|12.433313|36.858105| |7.608135|12.395859|7.454142|36.858105| |4.865009|7.335688|6.106654|12.381451|36.858105| |4.449363|6.588187|6.693095|8.848244|17.603439|0.500000| |3.732957|4.780266|4.158089|7.311960|12.368062|0.251542|36.858105| |3.120973|3.881081|3.473570|5.224042|7.982475|0.184427|15.846029|73.516695| |3.604610|4.283082|3.773240|6.485452|7.746733|0.185418|14.164356|15.145566|53.358707| |2.871775|3.239395|2.935029|4.373863|4.972161|0.126586|7.785195|12.216657|17.852748|36.858105| |2.479124|2.804843|2.678787|3.565287|4.171181|0.115337|5.892413|10.181501|10.437007|12.423700|36.858105| |2.104539|2.314715|2.212726|2.823704|3.171492|0.086969|4.153067|7.551426|6.788079|7.542102|12.603410|36.858105| |1.902223|2.095412|2.006033|2.501280|2.843587|0.077683|3.650913|7.063997|5.480703|5.499439|7.495930|13.708768|36.858105| |1.689415|1.829690|1.755521|2.136466|2.365570|0.064604|2.906723|5.542305|4.316829|4.092289|4.988373|7.865312|13.741784|36.858105| |1.633021|1.741377|1.672426|2.020778|2.179768|0.059623|2.622634|4.833402|3.992718|3.748682|4.415770|6.796715|7.942451|13.758577|36.858105| |1.752615|1.857458|1.782967|2.174924|2.311532|0.063362|2.783788|4.967699|4.410431|4.228096|5.000762|7.836549|6.884876|7.943921|13.749613|36.858105| |1.991251|2.135499|2.045271|2.561194|2.750956|0.075532|3.417917|5.987719|5.671977|5.843374|7.553065|13.762631|8.070674|6.965001|8.021777|13.841084|36.858105| |2.133914|2.259348|2.167650|2.719316|2.830933|0.078119|3.431890|5.729552|5.947569|5.815713|6.799128|8.151131|5.317743|4.677603|5.308676|8.178465|14.242519|97.533100| |4.323133|6.353842|5.371222|7.621616|13.140761|0.262171|7.896927|12.849373|7.126484|3.928101|3.429076|2.755086|2.581000|2.184263|1.992437|2.064369|2.390799|5.402071|53.358707| |3.548344|4.918622|4.803748|5.210808|7.707942|0.212907|5.753120|10.441875|5.651669|3.338690|3.112648|2.552149|2.442704|2.082583|1.887080|1.931585|2.210368|4.938436|19.054852|36.858105| |3.298098|4.486035|4.879066|4.639869|6.579212|0.218273|5.097811|9.029462|5.307411|3.179558|3.097905|2.531211|2.412240|2.056944|1.868491|1.917536|2.197116|4.927680|11.330249|15.954059|73.516695| |3.044003|3.905599|3.692327|3.995364|5.127343|0.133809|4.385501|8.518510|4.564446|2.859039|2.665391|2.277150|2.239224|1.945880|1.757729|1.772003|1.987439|4.383895|11.163750|12.509714|13.979963|36.858105| |2.948911|3.676669|3.596916|3.465518|4.043773|0.109125|3.388348|6.263735|3.745144|2.375966|2.234854|1.944653|1.908253|1.689267|1.547044|1.563073|1.733288|3.858993|7.767786|7.625185|10.981983|12.681961|36.858105| |2.913320|3.474860|3.289400|3.188380|3.487269|0.091795|2.965482|5.407413|3.373511|2.163988|2.010418|1.774727|1.741995|1.560508|1.440969|1.456587|1.602124|3.580067|6.352986|5.311418|7.857322|7.534295|14.134893|36.858105| |2.645477|3.060180|3.033046|2.737590|2.917212|0.079249|2.498833|4.498246|2.924260|1.896221|1.788399|1.593286|1.563350|1.413378|1.314262|1.329516|1.452977|3.260132|4.957694|4.155600|6.721740|5.149858|8.524722|13.172354|36.858105| |2.418329|2.681509|2.651386|2.384942|2.464406|0.066871|2.147416|3.839112|2.572292|1.688079|1.592778|1.435533|1.409335|1.286844|1.205219|1.219457|1.322870|2.976486|4.009100|3.212655|5.302301|3.771819|5.266385|7.277158|13.634093|36.858105| |2.191009|2.398930|2.442818|2.132926|2.196105|0.060659|1.927647|3.432714|2.339821|1.545992|1.475425|1.336362|1.312010|1.203735|1.131586|1.145258|1.237866|2.790330|3.469220|2.796791|4.788608|3.148115|4.181073|5.010869|7.972510|13.845924|36.858105| |2.138882|2.375206|2.496943|2.118921|2.212832|0.062348|1.938124|3.451436|2.351157|1.552415|1.498990|1.353939|1.328818|1.216659|1.142171|1.156099|1.251591|2.820893|3.469593|2.875658|5.091976|3.163375|4.194362|4.549974|6.872829|7.884939|13.581838|36.858105| |2.281326|2.612435|2.792855|2.343113|2.509430|0.071622|2.174552|3.888492|2.600418|1.703663|1.653168|1.479587|1.451487|1.318609|1.230802|1.245602|1.356491|3.050800|4.003971|3.465205|6.259628|3.818340|5.305362|5.261613|7.796564|6.748131|7.863432|13.842228|36.858105| |2.548683|3.001477|3.128076|2.699467|2.945957|0.082824|2.513932|4.526745|2.938536|1.903603|1.826713|1.620118|1.589044|1.432042|1.328818|1.344340|1.472623|3.303070|4.936885|4.404699|7.610157|5.188452|8.565175|8.339619|13.594209|7.888142|6.926730|8.045429|13.680426|36.858105| |2.693905|3.302874|3.452155|3.055678|3.511284|0.099817|2.965579|5.412465|3.370399|2.160159|2.080581|1.820540|1.786284|1.590531|1.462685|1.478366|1.632907|3.645579|6.157386|6.110557|10.607573|7.500066|13.865140|8.491947|8.481055|5.349772|4.639985|5.156325|7.597194|13.860020|53.358707| |2.657637|3.291460|3.575577|3.079152|3.611952|0.106651|3.048056|5.542890|3.467652|2.217945|2.169474|1.885988|1.845519|1.635870|1.502199|1.520657|1.685952|3.766214|6.137776|6.376399|12.579668|6.770710|9.091760|6.003036|5.967627|4.276780|3.936744|4.538553|6.636747|9.017344|26.059528|0.500000| |2.973580|3.439939|3.062913|3.233899|3.436521|0.086698|3.001133|5.491552|3.435641|2.218830|2.016324|1.792670|1.762035|1.583951|1.464985|1.479783|1.623225|3.622383|6.182524|4.607412|6.618608|6.269171|7.580413|12.666499|7.115027|5.613429|4.014208|3.511290|3.772220|5.063255|7.039774|0.116175|36.858105| |2.917873|3.434600|2.992591|3.473344|3.874395|0.094599|3.534868|6.747767|3.929582|2.549320|2.287044|2.026020|2.007402|1.787548|1.633551|1.640452|1.807587|3.988716|7.244315|5.190628|7.070326|7.561122|6.781483|7.663843|4.898680|3.955925|3.108338|2.865430|3.147333|4.071587|6.226901|0.108863|12.410932|36.858105| |3.261087|4.098743|3.560865|4.322232|5.291070|0.125644|4.662137|9.053598|4.837265|3.025664|2.700900|2.321343|2.276777|1.983718|1.797851|1.815718|2.034857|4.492404|11.662324|8.254513|9.759501|13.113535|7.962766|6.929332|4.572666|3.563967|2.912257|2.803536|3.198132|4.165697|6.998561|0.127484|7.720248|13.104879|53.358707| |4.015611|5.297809|4.224606|6.055795|7.590274|0.158634|6.222180|11.174954|6.120477|3.606781|3.072826|2.568411|2.454033|2.110326|1.925237|1.974659|2.249547|5.032697|18.575491|8.360422|9.863965|8.185611|5.754506|5.175107|3.792235|3.093920|2.598446|2.516065|2.832395|3.535103|5.755057|0.110285|5.739895|7.739423|19.107843|36.858105| |4.265096|5.232033|3.917411|6.203437|6.555449|0.135103|5.843302|10.010020|6.213678|3.703419|3.025945|2.563093|2.429417|2.106678|1.942173|2.004378|2.277664|5.132210|11.297420|5.575969|7.487213|5.465769|4.375988|4.259666|3.278165|2.801933|2.371391|2.263654|2.479697|3.000290|4.639088|0.089139|5.054945|6.556853|11.323482|15.959705|73.516695| |2.486575|3.054562|2.962291|3.222640|4.116406|0.111252|3.926597|8.168229|4.198382|2.758193|2.663760|2.320288|2.346742|2.042363|1.815187|1.798944|2.000253|4.325916|7.586287|7.638028|11.279181|12.418819|7.513679|5.322031|4.139654|3.207957|2.782842|2.847241|3.414410|4.344164|8.165150|0.162364|4.660167|5.740992|10.439504|5.529999|7.464300|36.858105| |17.550403|8.778595|6.919407|5.507567|4.014315|0.105462|3.151241|4.840732|4.104970|2.477727|2.189625|1.887640|1.725381|1.546416|1.496526|1.596040|1.793039|4.297398|5.145043|3.261588|5.460899|2.873452|2.891999|2.915649|2.721671|2.533637|2.313986|2.248103|2.366390|2.610158|3.659088|0.073191|2.940920|2.782583|4.122704|3.565535|6.585441|2.352474|0.500000| |17.550385|8.756501|5.486317|6.967923|4.564255|0.110980|3.684467|5.541885|4.877031|2.900340|2.449967|2.102698|1.908235|1.701673|1.646800|1.764007|1.995028|4.790624|5.657484|3.345659|5.390283|2.967334|2.845461|2.867195|2.565731|2.364806|2.119530|2.038878|2.154454|2.420541|3.467504|0.068910|3.041777|3.024190|4.499968|4.122580|8.291263|2.437789|0.301643|0.500000| |17.518083|8.757045|6.830294|6.855721|4.490290|0.118131|3.599009|5.291797|4.966526|2.926170|2.539202|2.154421|1.921774|1.709416|1.668050|1.810369|2.065045|5.066786|5.165390|3.180737|5.407208|2.708693|2.599008|2.534126|2.330831|2.144446|1.974069|1.947958|2.076537|2.282811|3.292287|0.067253|2.562752|2.550385|3.883257|3.459021|6.489461|2.277400|0.301781|0.301157|0.500000| |8.953475|17.547036|8.910003|8.904027|6.757587|0.162708|4.505847|6.846021|5.250800|3.003741|2.614261|2.188309|2.017970|1.769702|1.672128|1.761695|2.005227|4.694981|9.731162|5.504491|8.392462|4.550262|4.391279|4.246390|3.624957|3.119186|2.714561|2.645052|2.914708|3.451585|5.155670|0.101649|4.242314|4.117404|6.685994|6.379413|10.895910|3.375659|0.214293|0.213930|0.173811|0.500000| |6.790949|8.766617|17.509824|6.790630|5.512236|0.174527|4.023319|5.889259|5.252547|3.012853|2.780595|2.286489|2.042319|1.787471|1.717676|1.851695|2.136629|5.180633|6.136223|4.062209|7.550301|3.168945|3.038414|2.784427|2.595933|2.308262|2.159108|2.218494|2.459271|2.693274|4.023868|0.086068|2.624555|2.607439|4.173424|3.610320|6.094885|2.653439|0.168191|0.139070|0.200718|0.173478|0.500000| |5.476890|8.703223|17.570938|6.673146|6.703340|0.226899|4.429689|6.708882|5.225369|2.988710|2.787529|2.283126|2.087093|1.813398|1.709323|1.808155|2.077832|4.889423|8.442289|6.009295|11.624520|4.290291|4.137340|3.594763|3.294062|2.795080|2.574620|2.683030|3.095733|3.516982|5.510373|0.120330|3.220938|3.172792|5.312160|4.519417|7.029671|3.398535|0.141568|0.122284|0.138940|0.212886|0.301158|0.500000| |6.991852|8.797024|17.549997|5.452981|4.622884|0.136725|3.390844|5.230231|4.238175|2.518713|2.324285|1.965020|1.801322|1.596385|1.526967|1.619779|1.833435|4.357027|5.989863|4.131733|7.471411|3.379627|3.471600|3.271195|3.129521|2.790214|2.604072|2.662828|2.937522|3.223341|4.652245|0.097203|3.010058|2.832993|4.420034|3.691909|6.146114|2.730300|0.210790|0.142035|0.171862|0.212369|0.301910|0.302791|0.500000| |6.981771|8.930372|6.888923|17.505243|8.901594|0.219371|6.634570|8.365440|9.480943|4.645557|3.805057|2.975765|2.566734|2.190868|2.099507|2.301300|2.744772|6.750218|7.627542|4.281307|7.220548|3.345559|2.952087|2.720774|2.401513|2.125569|1.935190|1.938309|2.131430|2.400551|3.659157|0.076347|2.731922|2.908817|4.779531|4.573750|8.343405|2.826052|0.141890|0.172012|0.207013|0.175140|0.205652|0.166442|0.141417|0.500000| |7.137392|8.854508|5.476411|17.616933|8.852326|0.174403|6.844000|9.104743|8.592813|4.450811|3.463073|2.807945|2.502528|2.152618|2.041242|2.192593|2.563841|6.094314|9.076526|4.564750|6.999683|3.779824|3.271616|3.104405|2.635177|2.324198|2.060328|2.015228|2.197644|2.535258|3.848576|0.077631|3.294716|3.615366|5.938460|6.304161|13.320324|3.084522|0.144127|0.216264|0.174563|0.213297|0.140243|0.137638|0.123177|0.302445|0.500000| |4.073177|4.730704|4.138349|7.413675|7.374306|0.182720|9.391403|10.881395|26.147891|9.023939|6.180538|4.333404|3.485882|2.845554|2.709769|3.047778|3.870717|9.661941|6.574690|3.840227|6.517384|3.094934|2.620855|2.388876|2.097169|1.859976|1.700166|1.707908|1.878739|2.106198|3.245711|0.068147|2.425773|2.701972|4.442492|4.128185|7.581185|2.793132|0.092447|0.111042|0.118734|0.112662|0.121817|0.112679|0.093573|0.258403|0.194108|0.500000| |2.832278|3.071504|2.769184|4.061876|4.238365|0.108526|5.815703|8.998937|12.607639|17.600850|8.823247|6.874282|4.909290|3.908641|3.800452|4.515852|6.294162|15.650584|4.616026|2.893624|4.918964|2.518483|2.147045|1.987629|1.759888|1.585242|1.457857|1.458653|1.586082|1.757432|2.673637|0.055763|2.050814|2.319015|3.651164|3.179427|5.956704|2.409410|0.067797|0.080256|0.081722|0.078271|0.080078|0.076525|0.066722|0.123893|0.117404|0.231921|0.500000| |2.710224|3.048617|2.719955|4.028875|4.637976|0.114367|7.283673|13.281721|12.544166|17.629064|8.834337|6.893204|5.756142|4.294709|3.795634|4.064613|5.248552|10.891011|5.336287|3.330247|5.492996|2.950996|2.421017|2.217295|1.922588|1.710525|1.556311|1.553054|1.700532|1.912018|2.954040|0.061283|2.309275|2.715592|4.358448|3.784312|7.012349|2.888173|0.065539|0.077359|0.075140|0.080802|0.075799|0.077271|0.065694|0.112762|0.118116|0.183965|0.302348|0.500000| |2.442731|2.830030|2.736667|3.557598|4.423371|0.124777|6.349287|12.041968|9.546243|8.899221|17.594584|8.933768|7.196470|4.736105|3.970638|4.188997|5.636644|11.205926|5.084775|3.486266|6.232627|2.960041|2.433160|2.151096|1.903388|1.678227|1.552204|1.585271|1.764765|1.960699|3.085297|0.066175|2.134203|2.442962|3.996877|3.287933|5.576070|3.028708|0.060370|0.066604|0.068443|0.074354|0.077716|0.081045|0.065888|0.102182|0.094435|0.152454|0.174126|0.213290|0.500000| |2.529167|2.846770|2.786382|3.577272|4.071076|0.117320|5.302013|8.580100|9.555829|8.867970|17.563872|8.899216|5.719241|4.234209|3.976488|4.687322|6.996272|16.611169|4.449308|2.994778|5.431864|2.524282|2.155651|1.939373|1.745117|1.559354|1.454505|1.485430|1.638144|1.795276|2.770421|0.059395|1.924745|2.141569|3.429766|2.866339|4.995556|2.489906|0.062086|0.068366|0.073250|0.072332|0.082338|0.080193|0.066917|0.110141|0.093962|0.176233|0.212190|0.173926|0.302763|0.500000| |1.928521|2.155539|2.065361|2.570318|3.007813|0.082129|3.906314|7.977812|5.550467|5.296295|6.963671|8.951799|17.709051|8.924611|5.650513|4.957519|5.706321|9.616351|3.792674|2.671791|4.677292|2.464139|2.068061|1.869913|1.666938|1.491712|1.384064|1.404056|1.542642|1.698903|2.624698|0.055425|1.885304|2.173302|3.386672|2.649543|4.588854|2.639475|0.048684|0.053649|0.053552|0.058253|0.057773|0.060400|0.051452|0.071970|0.071140|0.095863|0.124172|0.160778|0.218879|0.145945|0.500000| |1.581390|1.712891|1.646353|1.975481|2.192810|0.059861|2.651320|5.138316|3.820272|3.474938|4.073905|5.619519|8.919395|17.724795|8.911449|5.646711|5.000204|8.327096|2.812963|1.993574|3.495307|1.892428|1.648218|1.525598|1.384306|1.262650|1.182250|1.194605|1.292941|1.402051|2.115466|0.044309|1.548886|1.750097|2.619753|2.016048|3.562301|2.013855|0.040469|0.044295|0.044169|0.046430|0.046244|0.047398|0.041851|0.055661|0.055354|0.070129|0.091362|0.103237|0.112601|0.097702|0.215579|0.500000| |1.501267|1.588782|1.528919|1.819088|1.944187|0.053197|2.291624|4.220366|3.436733|3.112802|3.535035|4.912718|5.643805|8.903973|17.723073|8.930071|5.684932|9.614323|2.446542|1.712049|3.013858|1.610809|1.431168|1.340950|1.229531|1.133758|1.067641|1.076518|1.154955|1.241319|1.847932|0.038639|1.364754|1.513367|2.242405|1.749603|3.142912|1.666120|0.038462|0.042121|0.042555|0.042547|0.043540|0.043306|0.039068|0.052305|0.051151|0.065569|0.088214|0.088073|0.090388|0.090544|0.124147|0.214336|0.500000| |1.680682|1.758160|1.691189|2.035825|2.122951|0.058278|2.496898|4.392707|3.950975|3.639304|4.102648|5.622326|4.960472|5.629257|8.835114|17.738519|8.980622|16.819657|2.583476|1.775778|3.138390|1.633244|1.456254|1.365601|1.253775|1.156624|1.089714|1.098948|1.178589|1.265908|1.881488|0.039434|1.388254|1.525405|2.279825|1.820462|3.301505|1.646336|0.042674|0.047022|0.048518|0.046197|0.049013|0.047290|0.042930|0.060184|0.057094|0.077723|0.111004|0.096336|0.096740|0.111582|0.107640|0.123647|0.212775|0.500000| |2.392273|2.598918|2.504799|2.323068|2.364846|0.063247|2.081025|3.718886|2.508792|1.654084|1.548358|1.402540|1.377862|1.262703|1.185411|1.199103|1.297067|2.918942|3.818870|2.962736|4.814358|3.475953|4.564359|6.452675|8.843662|17.706569|8.932313|5.614984|4.886067|5.609099|5.892827|0.099100|5.894038|4.029034|4.715229|3.033637|5.011357|2.969830|0.069698|0.066083|0.058720|0.084181|0.060905|0.072010|0.072958|0.057457|0.063948|0.050439|0.043368|0.046793|0.045053|0.041966|0.040400|0.034436|0.031033|0.031647|0.500000| |2.035136|2.181789|2.210175|1.946426|1.979794|0.054545|1.755915|3.120163|2.155496|1.434295|1.368848|1.248150|1.226085|1.131269|1.067818|1.080653|1.162850|2.624363|3.073345|2.430600|4.169143|2.697176|3.414273|4.035520|5.655949|8.956822|17.717762|8.882794|5.627697|4.980114|5.005716|0.089549|3.473194|2.749376|3.476358|2.314888|3.825603|2.421914|0.060017|0.055018|0.051249|0.067826|0.054897|0.063773|0.065653|0.049460|0.052604|0.043648|0.037801|0.040118|0.039787|0.037524|0.035784|0.030895|0.028077|0.028657|0.215450|0.500000| |1.963360|2.150783|2.281402|1.927882|2.001321|0.056732|1.769794|3.144778|2.171033|1.443279|1.402164|1.273455|1.250312|1.150186|1.083489|1.096704|1.182927|2.669241|3.073733|2.522378|4.530892|2.713872|3.426745|3.621467|4.951884|5.635507|8.883157|17.714289|8.977131|5.689962|5.628462|0.106312|2.932997|2.466942|3.304813|2.214725|3.582252|2.496909|0.057468|0.051911|0.050224|0.065406|0.057155|0.067606|0.067823|0.049578|0.050927|0.043946|0.037832|0.039991|0.041070|0.038748|0.036576|0.031399|0.028446|0.029040|0.123980|0.215582|0.500000| |2.172545|2.492165|2.726711|2.257627|2.438361|0.070873|2.126959|3.802686|2.557190|1.681362|1.651231|1.478319|1.450523|1.317856|1.230022|1.244633|1.355259|3.047470|3.815241|3.339192|6.279396|3.546450|4.618019|4.293360|5.570455|4.886439|5.599144|8.898017|17.711975|8.834199|9.140186|0.186901|3.218721|2.810156|3.986082|2.635839|4.103779|3.279393|0.062280|0.056577|0.055656|0.075594|0.067672|0.084933|0.079284|0.057756|0.058295|0.051337|0.043435|0.046363|0.049123|0.045692|0.042827|0.035899|0.032064|0.032713|0.106378|0.123728|0.215027|0.500000| |3.391344|3.852829|3.313415|3.496500|3.536178|0.088073|3.017698|5.356530|3.499464|2.234927|2.005256|1.776961|1.727488|1.554119|1.448943|1.475156|1.621857|3.653911|6.190345|4.338579|6.293506|5.274373|6.092852|8.900516|6.149622|5.263402|3.849357|3.334824|3.503392|4.511956|6.124067|0.104716|17.516698|8.813621|8.983724|5.755064|9.633049|3.912213|0.094160|0.097773|0.079246|0.136692|0.077933|0.094049|0.091468|0.081120|0.100335|0.069696|0.057970|0.064130|0.058250|0.053499|0.050858|0.041967|0.037486|0.038608|0.158974|0.094420|0.078314|0.083623|0.500000| |2.595823|2.902910|2.624983|2.747221|2.883676|0.073689|2.594200|4.776444|3.036657|2.001131|1.832583|1.653612|1.637579|1.487525|1.379255|1.386463|1.506895|3.352735|4.936647|3.697746|5.543656|4.844769|5.763882|8.867974|6.485175|5.792966|4.100838|3.456103|3.562933|4.558243|5.988111|0.100404|17.532841|8.852184|7.679964|4.426427|7.287809|4.007720|0.072012|0.074203|0.063089|0.096208|0.063702|0.075943|0.072453|0.065979|0.078259|0.059655|0.051787|0.058060|0.053668|0.048586|0.048560|0.040639|0.035902|0.036244|0.183772|0.100920|0.080790|0.084142|0.303399|0.500000| |2.965162|3.389104|2.862597|3.496594|3.760740|0.089769|3.526067|6.665532|3.995689|2.613722|2.296634|2.048707|2.025144|1.810577|1.661821|1.671782|1.838370|4.061742|6.643974|4.409800|6.160912|5.612560|4.987750|5.576977|3.985445|3.420096|2.751577|2.522851|2.710190|3.362836|4.999881|0.090316|8.741488|17.655320|12.612465|7.418423|13.338672|4.563162|0.077772|0.087870|0.071958|0.111533|0.070097|0.082183|0.075035|0.081426|0.105318|0.076445|0.066693|0.078303|0.067188|0.059390|0.060462|0.049143|0.042801|0.043258|0.099435|0.069187|0.061348|0.067971|0.219925|0.202396|0.500000| |2.514516|2.916526|2.620969|2.984310|3.375333|0.084556|3.204464|6.299094|3.608336|2.402233|2.195467|1.972818|1.986479|1.780037|1.616114|1.605801|1.755079|3.832883|6.049710|4.582066|6.516600|6.818897|6.131534|6.613843|4.565790|3.747468|3.000172|2.787728|3.060113|3.896785|5.955794|0.104818|8.817832|17.585469|12.561708|5.836230|8.975221|6.183677|0.066929|0.071894|0.062286|0.093839|0.064585|0.077746|0.069201|0.071301|0.085483|0.068358|0.060578|0.071639|0.065653|0.056815|0.060231|0.048886|0.041745|0.041390|0.105382|0.074059|0.067083|0.076487|0.174337|0.221912|0.302492|0.500000| |2.459089|3.009538|2.878686|3.317508|4.370890|0.116458|4.486583|10.071110|4.700180|3.132435|3.036140|2.629249|2.689187|2.303372|2.014942|1.984849|2.221024|4.741209|7.732369|7.070601|10.533806|8.832266|5.504926|4.266742|3.405017|2.749050|2.416338|2.458921|2.877729|3.515540|6.216841|0.127439|4.014789|5.157029|9.565328|5.611482|7.729559|17.585454|0.063653|0.067440|0.063240|0.090312|0.072899|0.090800|0.072478|0.081481|0.088988|0.084493|0.074460|0.092735|0.098048|0.077152|0.085792|0.063102|0.050982|0.049944|0.072045|0.059459|0.060909|0.077672|0.097217|0.097296|0.121860|0.152597|0.500000| 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