Version2.1 2021-01-12T21:40:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 26-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H](C(=O)Nc1c(c2c(s1)CCC2)C(=O)N)[NH+]3CCN(CC3)c4ccc(cc4F)C(=O)C C09833514 RHF 6-31G(d) (6D,7F) C[C@H](C(=O)Nc1c(c2c(s1)CCC2)C(=O)N)[NH+]3CCN(CC3)c4ccc(cc4F)C(=O)C C01[X(C23H28F1N4O3S1)] 174 C1 540 C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)[NH+]1CCN(CC1)c1ccc(cc1F)C(=O)C C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)[NH+]1CCN(CC1)c1ccc(cc1F)C(=O)C C[C@@H]([NH+]1CCN(CC1)c2ccc(cc2F)C(C)=O)C(=O)Nc3sc4CCCc4c3C(N)=O InChIKey=RZARSXDCIUXNEL-CYBMUJFWSA-O InChI=1S/C23H27FN4O3S/c1-13(22(31)26-23-20(21(25)30)16-4-3-5-19(16)32-23)27-8-10-28(11-9-27)18-7-6-15(14(2)29)12-17(18)24/h6-7,12-13H,3-5,8-11H2,1-2H3,(H2,25,30)(H,26,31)/p+1/t13-/m1/s1 InChI=1/C23H27FN4O3S/c1-13(22(31)26-23-20(21(25)30)16-4-3-5-19(16)32-23)27-8-10-28(11-9-27)18-7-6-15(14(2)29)12-17(18)24/h6-7,12-13H,3-5,8-11H2,1-2H3,(H2,25,30)(H,26,31)/p+1/t13-/m1/s1/fC23H28FN4O3S/h26-27H,25H2/q+1 C[C@H](C(=O)Nc1c(c2c(s1)CCC2)C(=O)N)[NH+]3CCN(CC3)c4ccc(cc4F)C(=O)C C01[X(C23H28F1N4O3S1)] 174 C01 540 C[C@H](C(=O)Nc1sc2c(c1C(=O)N)CCC2)[NH+]1CCN(CC1)c1ccc(cc1F)C(=O)C O=C([C@H]([NH]1CC[N@](CC1)[C]1[CH][CH][C]([CH][C]1F)C(=O)C)C)N[C]1SC2=[C]([C]1[C]([O])[NH2])CCC2 C[C@@H]([NH]1CCN(CC1)[C]2[CH][CH][C]([CH][C]2F)C(C)=O)C(=O)N[C]3SC4=C(CCC4)[C]3[C](N)[O] InChIKey=HRNKOARWYADMTK-CYBMUJFWSA-N InChI=1S/C23H28FN4O3S/c1-13(22(31)26-23-20(21(25)30)16-4-3-5-19(16)32-23)27-8-10-28(11-9-27)18-7-6-15(14(2)29)12-17(18)24/h6-7,12-13,27H,3-5,8-11H2,1-2H3,(H2,25,30)(H,26,31)/t13-/m1/s1 InChI=1/C23H28FN4O3S/c1-13(22(31)26-23-20(21(25)30)16-4-3-5-19(16)32-23)27-8-10-28(11-9-27)18-7-6-15(14(2)29)12-17(18)24/h6-7,12-13,27H,3-5,8-11H2,1-2H3,(H2,25,30)(H,26,31)/t13-/m1/s1/f/h26H,25H2 3279.7784612162 -1826.4408823 1-A 28171.6501 121 419 540 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0.7924 0.7148 0.1655 0.5590 0.7432 0.6860 0.7441 0.6270 0.5705 0.4187 0.3353 0.2295 0.2726 0.2976 0.8552 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 6 6 1 6 8 7 6 6 6 6 16 6 6 6 6 8 7 7 1 6 6 7 6 6 6 6 6 6 6 6 9 6 8 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 12.00000 15.99491 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 5149.6733 48022.7808 50515.2045 1.00000 -0.00110 -0.00222 0.00116 0.99968 0.02527 0.00219 -0.02527 0.99968 1 0.01682 0.00180 0.00171 0.35046 0.03758 0.03573 16.41 24.09 30.41 57.68 62.39 73.98 90.28 94.75 105.78 136.75 164.82 193.55 200.16 207.71 210.72 263.17 267.64 285.99 301.14 309.22 351.90 353.73 360.78 385.77 392.26 417.24 427.60 460.68 488.15 503.10 531.12 549.02 581.83 587.64 596.63 612.90 644.32 677.25 691.00 719.10 744.57 771.90 796.42 832.16 844.57 860.16 866.03 888.65 899.87 946.89 972.92 1001.53 1020.07 1035.75 1057.60 1093.80 1107.43 1167.34 1182.02 1188.88 1232.60 1242.60 1280.95 1293.57 1308.01 1323.97 1355.45 1387.05 1395.91 1402.73 1426.16 1439.19 1451.27 1472.85 1487.33 1522.42 1537.72 1578.38 1600.49 1614.02 1618.78 1626.94 1647.53 1657.11 1667.75 1674.15 1701.38 1711.44 1732.53 1740.48 1750.91 1780.01 1810.34 1819.69 1838.46 1846.49 1883.77 1903.19 1920.45 1925.09 1941.28 1953.25 1961.95 2006.77 2025.48 2036.41 2054.41 2060.19 2083.46 2119.27 2123.63 2132.17 2139.65 2146.76 2162.35 2174.78 2212.99 2231.48 2239.93 2247.49 2262.74 2266.37 2276.88 2291.84 2319.56 2323.92 2335.27 2335.57 2342.36 2348.79 2365.79 2367.28 2369.18 2373.79 2383.14 2392.24 2395.04 2426.90 2532.28 2552.84 2568.74 2588.80 2627.52 2720.54 2778.68 2887.40 4582.55 4595.35 4595.44 4626.07 4630.05 4651.33 4654.99 4675.59 4696.74 4712.86 4722.85 4727.78 4737.78 4742.91 4746.17 4749.65 4767.57 4783.13 4800.05 4830.04 4837.66 4880.04 4913.50 4928.69 5201.30 5247.56 5536.54 5740.40 0.533795 0.562335 0.563279 0.471055 -1825.907088 -1825.878548 -1825.877604 -1825.969827 3.093175D-04 MUNgauss RevisionA2.0 retrievium 12-Jan-2021 DUDE C[C@H](C(=O)Nc1c(c2c(s1)CCC2)C(=O)N)[NH+]3CCN(CC3)c4ccc(cc4F)C(=O)C C09833514 RHF 6-31G(d) (6D,10F) C1 459.186616 |X|Y|Z| 47.710774 29.911930 158.115634 60.880551 23 6 7 16 19 3 1 |36.858105| |12.442011|36.858105| |8.834115|17.618667|0.500000| |7.611996|12.405730|0.243200|36.858105| |5.887335|8.055143|0.166707|15.820531|73.516695| |6.085788|7.877681|0.202754|14.305715|14.964320|53.358707| |4.351786|5.052405|0.132663|7.800647|11.715891|18.577340|36.858105| |3.601720|3.947959|0.109164|5.177056|7.971491|10.671689|13.960642|36.858105| |2.913321|3.144196|0.085691|4.013809|6.729785|7.108688|8.251726|13.170756|36.858105| |2.859688|3.123585|0.082765|4.114850|7.384077|6.781711|7.786079|8.202105|14.255001|36.858105| |3.545221|4.047141|0.102433|5.997259|11.625522|9.398347|10.986253|7.334955|7.420656|11.025501|388.023441| |2.355389|2.523515|0.067167|3.147695|5.776787|4.876666|4.826583|5.154934|7.972881|12.684224|45.858037|36.858105| |2.157833|2.291918|0.062424|2.761173|4.884998|4.368025|4.186747|4.973398|7.963441|8.088571|33.306689|12.282109|36.858105| |2.399830|2.532058|0.069816|3.048633|5.180034|5.075802|5.003770|6.937702|12.590268|8.119969|34.374997|7.633939|12.272159|36.858105| |3.600117|3.823622|0.111415|4.504565|6.651199|8.927576|7.666360|12.815132|7.214769|5.072083|33.694294|3.792908|3.934921|5.500498|36.858105| |4.228291|4.497831|0.137712|4.968290|6.930783|9.861158|6.721899|8.061349|5.121113|4.072219|29.774246|3.147851|3.172957|4.079722|15.636936|73.516695| |2.930561|3.029750|0.088115|3.425433|5.296701|6.120819|5.193830|7.873480|6.327978|4.413114|27.081709|3.585932|4.014511|5.921477|14.240953|15.238238|53.358707| |7.485230|12.655647|0.252572|7.895103|13.043704|7.203023|3.947511|3.166299|2.673676|2.739786|25.160602|2.288601|2.062225|2.208644|3.005672|6.000368|3.383644|53.358707| |6.663666|9.475645|0.184986|8.130470|16.475818|7.076601|4.042408|3.172762|2.732995|2.875771|27.295764|2.407372|2.126270|2.245573|2.912673|5.641383|3.292307|25.566400|0.500000| |6.520110|7.472830|0.178773|5.043149|8.543043|5.277158|3.072575|2.594748|2.238935|2.274055|19.900263|1.953480|1.785748|1.905069|2.534044|5.057017|2.942600|17.279993|0.256361|36.858105| |4.357992|4.928380|0.123683|3.935564|7.172526|4.269963|2.623172|2.245054|1.994940|2.056631|17.801129|1.804867|1.645377|1.722825|2.164908|4.210625|2.563091|10.464298|0.197808|12.519467|36.858105| |3.681470|4.445976|0.118711|3.713959|6.746485|4.131827|2.569045|2.213198|1.976588|2.037444|17.501348|1.793560|1.643160|1.712527|2.133243|4.134492|2.533118|9.060688|0.166304|7.830137|13.145600|53.358707| |3.791173|4.980194|0.131834|4.435216|8.298442|4.812767|2.982871|2.510289|2.236741|2.332943|20.570988|2.028920|1.838400|1.908224|2.367127|4.550883|2.772529|10.428806|0.199131|6.628939|7.943339|17.875150|36.858105| |4.945816|7.671516|0.207873|6.294251|10.740935|6.463109|3.721836|3.044972|2.609291|2.677809|24.154100|2.255783|2.048225|2.173009|2.887272|5.700823|3.282501|17.208314|0.259626|7.735896|6.662656|10.708134|12.542552|36.858105| |2.902517|3.336344|0.090142|2.935226|5.402817|3.391218|2.181551|1.916591|1.745561|1.805132|15.168639|1.619735|1.490938|1.537363|1.848784|3.534246|2.234033|6.077252|0.118508|5.103859|7.837661|18.141667|7.831261|5.115463|36.858105| |2.567019|2.895515|0.080792|2.543634|4.569896|3.030679|1.965362|1.759662|1.606134|1.643006|13.509727|1.483968|1.383629|1.430700|1.722868|3.302462|2.104341|4.944956|0.094181|4.150489|5.511377|10.638300|5.513708|4.161210|13.723756|36.858105| |2.175083|2.401552|0.066763|2.166810|3.923294|2.625367|1.735759|1.571202|1.452601|1.489335|12.080383|1.362340|1.274297|1.308111|1.536782|2.916051|1.898160|3.951486|0.077196|3.235237|4.107702|6.988607|4.108642|3.240910|7.908462|13.785670|36.858105| |2.044235|2.240015|0.061194|2.066246|3.812814|2.498479|1.671807|1.510410|1.410459|1.459581|11.849618|1.345519|1.251123|1.273122|1.462308|2.747260|1.810620|3.678893|0.074023|2.958998|3.792605|6.135357|3.791833|2.962179|6.810772|7.917236|13.695442|36.858105| |2.200118|2.424220|0.064906|2.258599|4.255312|2.687186|1.797713|1.605136|1.501233|1.568941|12.915490|1.443666|1.328186|1.345822|1.535849|2.874137|1.889959|4.076858|0.084174|3.249466|4.347336|6.937989|4.343939|3.251534|7.866898|6.871516|7.936469|13.715380|36.858105| |2.607809|2.935126|0.077600|2.693777|5.112878|3.125325|2.055215|1.806799|1.671481|1.750113|14.691772|1.589247|1.452277|1.479562|1.721227|3.242028|2.092881|5.196542|0.107641|4.183293|6.141584|10.511914|6.132347|4.186536|13.767692|8.031423|6.954134|7.995571|13.843542|36.858105| |2.766024|3.113504|0.079778|2.933865|5.775373|3.339471|2.206582|1.913152|1.777758|1.886806|16.120795|1.711708|1.542867|1.562420|1.794013|3.352971|2.169735|5.593080|0.123064|4.325988|6.256132|9.292721|6.239678|4.324604|8.150060|5.307552|4.674851|5.295380|8.161147|14.263052|97.533100| |1.761179|1.902276|0.052157|1.778002|3.273199|2.184526|1.480947|1.352951|1.274645|1.317447|10.543375|1.227052|1.147082|1.162238|1.313056|2.451726|1.641539|3.030150|0.061261|2.403860|2.931979|4.521238|2.931663|2.405881|4.423863|5.051110|7.651286|12.615970|7.496833|5.028330|8.791966|36.858105| |1.664273|1.789931|0.049582|1.666939|3.035918|2.068232|1.403421|1.291831|1.216340|1.249418|9.914119|1.165091|1.096617|1.114256|1.262942|2.362407|1.586135|2.808587|0.056182|2.229374|2.648984|4.069400|2.649137|2.231549|3.828917|4.602441|6.908092|8.148897|5.294102|4.035871|7.258140|15.983996|73.516695| |1.639249|1.757379|0.047732|1.669347|3.106225|2.056192|1.408898|1.288558|1.224728|1.273836|10.164182|1.196091|1.114421|1.120971|1.242397|2.301635|1.558464|2.774198|0.057043|2.170031|2.614105|3.902731|2.613450|2.171090|3.634230|3.801524|4.933387|7.311286|6.360852|4.358346|8.312740|12.607505|14.333367|36.858105| |17.619901|8.740206|0.213419|5.503797|8.074524|6.374709|3.550282|3.071801|2.537567|2.474512|21.065153|2.084351|1.937732|2.145701|3.160029|6.632806|3.610335|9.010373|0.155890|6.989746|4.522656|5.096076|3.650602|4.600001|2.964063|2.666567|2.248467|2.087476|2.219307|2.618812|6.112722|1.797021|3.035911|1.658847|0.500000| |17.599752|8.920515|0.212055|7.076263|9.413766|9.126599|4.804870|4.088747|3.205218|3.055958|26.218554|2.486023|2.304303|2.624610|4.233278|9.100411|4.606766|7.508170|0.141362|4.798134|3.504926|4.207045|3.225958|4.133681|2.516134|2.269117|1.954024|1.841493|1.964730|2.285419|5.423091|1.607986|2.718283|1.503939|0.303457|0.500000| |17.574304|8.756118|0.172786|6.899204|10.849461|7.278069|4.108717|3.372748|2.819780|2.839618|25.392798|2.366238|2.132985|2.333419|3.250253|6.468062|3.669532|9.274103|0.192733|6.165269|4.377237|4.855851|3.652670|4.485639|2.859925|2.490463|2.132978|2.038270|2.224835|2.638212|6.452864|1.759608|2.934817|1.654879|0.299136|0.302103|0.500000| |6.130483|7.452130|0.221093|9.313320|10.736153|25.724160|9.527164|7.546169|4.850988|4.328010|37.455751|3.229057|3.024254|3.618086|7.829454|18.773456|6.923152|6.610277|0.125654|3.744081|2.989606|3.950426|3.290050|4.414334|2.392486|2.176910|1.885511|1.776492|1.886420|2.177969|5.141778|1.558927|2.643293|1.459147|0.136298|0.202332|0.139966|0.500000| |2.216004|2.406929|0.064105|2.980063|5.588596|4.474680|4.243491|4.307751|5.930884|8.758905|41.661248|17.576915|8.660143|5.657783|3.288962|5.009221|4.212939|3.041121|0.065593|1.908558|1.788546|2.442493|2.044472|2.239211|1.632635|1.494071|1.377194|1.366749|1.469902|1.612836|3.917729|1.248706|2.103778|1.221553|0.054823|0.063890|0.061967|0.081969|0.500000| |2.304261|2.414032|0.063518|2.976329|5.524344|4.507822|4.305228|4.479184|6.294847|8.879100|40.605612|17.539735|8.650172|6.184089|3.423513|5.149198|4.439493|2.992529|0.064738|1.898272|1.757770|2.351058|1.933026|2.130691|1.565126|1.431475|1.318187|1.307416|1.406350|1.544717|3.761222|1.195115|2.014786|1.169858|0.056699|0.067576|0.065284|0.083042|0.302629|0.500000| |2.036668|2.193307|0.060348|2.615162|4.629505|4.096264|3.820891|4.445598|6.471287|6.552354|30.067519|8.807968|17.586847|8.809456|3.638410|5.321765|5.063646|2.717736|0.056897|1.730843|1.606691|2.208473|1.823012|2.019393|1.479662|1.378999|1.273301|1.249425|1.322254|1.440796|3.427610|1.147948|1.954222|1.114682|0.051184|0.059846|0.055564|0.079285|0.225579|0.175704|0.500000| |1.975879|2.064553|0.056130|2.437195|4.327840|3.781074|3.482483|4.044766|5.801646|5.858459|27.388415|8.655831|17.601943|8.657075|3.384306|4.964584|4.825337|2.547300|0.053627|1.644063|1.522604|2.060745|1.675886|1.847600|1.383386|1.288269|1.192955|1.174474|1.244678|1.353050|3.230841|1.082385|1.842097|1.055195|0.049699|0.058564|0.054603|0.073446|0.189230|0.219964|0.303090|0.500000| |2.354578|2.418279|0.066389|2.857849|4.838417|4.703973|4.455531|6.013371|8.830019|6.350598|30.043133|6.181369|8.671431|17.508551|5.197977|6.963900|8.059858|2.859598|0.059310|1.836269|1.655823|2.218384|1.793514|2.034891|1.465860|1.366838|1.252227|1.219319|1.287377|1.412063|3.353496|1.115794|1.903939|1.077467|0.058734|0.072313|0.063952|0.094491|0.129807|0.158867|0.176158|0.221181|0.500000| |2.272669|2.414631|0.067845|2.840527|4.764527|4.719710|4.430589|6.126500|8.719262|6.012912|29.067624|5.671000|8.708846|17.552373|5.477098|7.268392|8.717856|2.876553|0.058966|1.833987|1.661627|2.267505|1.852320|2.108915|1.500355|1.407347|1.288470|1.248656|1.311527|1.436911|3.384968|1.142432|1.954936|1.098513|0.057126|0.068878|0.060623|0.096132|0.130299|0.129997|0.227529|0.190225|0.301705|0.500000| |2.635534|2.719346|0.077726|3.110786|4.959080|5.397500|4.786930|7.253500|7.049396|4.724643|26.897237|3.977914|4.739331|7.699042|9.252242|10.819868|26.155281|3.107843|0.062512|1.994613|1.761347|2.371713|1.908802|2.223256|1.550182|1.459219|1.324881|1.271430|1.329400|1.464887|3.429236|1.157906|1.987510|1.104969|0.066344|0.083156|0.068723|0.118308|0.093348|0.099990|0.119519|0.116568|0.223149|0.241601|0.500000| |2.812625|2.864325|0.084588|3.110128|4.797496|5.367879|4.255343|5.732553|4.755233|3.588397|22.888151|3.023776|3.360604|4.611926|9.502887|13.944872|26.037383|3.214496|0.063159|2.090399|1.819268|2.446776|1.943935|2.291855|1.590766|1.510746|1.364652|1.296176|1.344706|1.483818|3.435703|1.177997|2.031816|1.115382|0.072175|0.090356|0.071263|0.126790|0.074096|0.077675|0.088100|0.084773|0.131025|0.140236|0.309815|0.500000| |6.089895|6.862569|0.189347|4.534031|7.309137|5.030312|2.924462|2.527881|2.165558|2.161726|18.460818|1.860318|1.726481|1.858001|2.535884|5.155375|2.960494|12.386083|0.180637|17.627790|8.820201|9.577193|5.818539|7.035935|4.810849|4.218705|3.254216|2.879602|3.045316|3.797309|8.377186|2.357590|3.954821|2.097530|0.198987|0.130263|0.147263|0.103220|0.050352|0.049970|0.046676|0.044191|0.049804|0.050186|0.055302|0.059111|0.500000| |7.449599|6.902160|0.157300|4.820516|8.221352|5.112961|3.009805|2.554871|2.211292|2.245292|19.554894|1.935247|1.766027|1.887442|2.498067|4.963394|2.914584|12.326876|0.222356|17.675096|8.868777|7.700854|4.971177|5.623523|4.185547|3.503061|2.854994|2.668966|2.934285|3.652421|8.711575|2.217254|3.663071|2.033826|0.232157|0.145928|0.214581|0.100805|0.052145|0.052810|0.047147|0.045431|0.051055|0.050137|0.055012|0.057579|0.299690|0.500000| |3.867180|4.094828|0.105960|3.303219|5.923732|3.721589|2.321954|2.027665|1.813291|1.856200|15.714923|1.646262|1.514270|1.586180|1.980695|3.852224|2.375471|7.632586|0.144474|9.001210|17.611531|12.493203|5.719353|4.983517|7.329992|5.717110|4.333151|3.939780|4.366008|5.806668|12.356456|3.055996|4.943086|2.692040|0.116224|0.088322|0.107951|0.073646|0.045238|0.044731|0.041081|0.039185|0.042615|0.042641|0.045415|0.047211|0.216555|0.214002|0.500000| |4.138671|4.571315|0.110387|3.902317|7.505220|4.189322|2.623357|2.227301|2.003874|2.096966|18.351319|1.850446|1.667284|1.728814|2.110457|4.040566|2.503336|9.351764|0.207481|8.864398|17.478871|12.217041|7.045548|5.776622|6.719450|4.682049|3.742922|3.671880|4.442232|6.321599|17.044285|2.878520|4.545265|2.647601|0.114624|0.093371|0.122031|0.079744|0.051124|0.050406|0.045070|0.042944|0.046196|0.045959|0.048163|0.049025|0.173401|0.217369|0.302054|0.500000| |3.227498|4.148191|0.115122|3.836926|7.069058|4.384131|2.788551|2.392949|2.154603|2.239958|19.311412|1.967028|1.798180|1.857193|2.267006|4.329787|2.682542|7.612369|0.145380|4.965062|5.720142|12.486693|17.612252|9.003426|7.318781|5.722008|4.334532|3.936882|4.357515|5.788924|12.302353|3.054473|4.942697|2.689834|0.086908|0.078828|0.085546|0.084316|0.055504|0.051674|0.050055|0.045509|0.048216|0.050527|0.051460|0.052372|0.130682|0.109208|0.127895|0.143284|0.500000| |3.617765|4.615786|0.116485|4.426912|8.940029|4.739119|3.012674|2.506134|2.269063|2.416607|21.696718|2.114092|1.885238|1.931126|2.310773|4.360841|2.712038|9.324186|0.209070|5.755490|7.038705|12.201106|17.487950|8.860612|6.710496|4.681970|3.742600|3.669874|4.436158|6.305768|16.954932|2.877468|4.544615|2.646205|0.094402|0.086077|0.100717|0.087610|0.059630|0.056240|0.051792|0.047772|0.050370|0.051594|0.052351|0.052401|0.133267|0.129634|0.143204|0.207005|0.301946|0.500000| |4.608240|7.232073|0.195873|7.291714|12.708178|7.525108|4.361895|3.462791|2.956176|3.067987|28.509823|2.538613|2.281416|2.414438|3.184623|6.182095|3.566346|12.333441|0.226187|5.631083|4.980387|7.704426|8.839152|17.658559|4.180874|3.504564|2.854371|2.665371|2.927001|3.641548|8.669712|2.214542|3.660531|2.030338|0.113977|0.112196|0.117219|0.136639|0.070369|0.065673|0.062748|0.056443|0.061880|0.064946|0.067258|0.068130|0.143822|0.126543|0.109390|0.129692|0.213165|0.215939|0.500000| 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|2.006946|2.195288|0.061738|1.983823|3.555684|2.438686|1.620219|1.481533|1.372072|1.398529|11.213844|1.284065|1.209876|1.243918|1.460221|2.771693|1.815738|3.516503|0.068253|2.861517|3.459859|5.668873|3.461302|2.866581|5.631953|8.909293|17.768517|8.954789|5.659413|4.998106|8.327578|7.184643|13.960042|4.585667|0.057936|0.050608|0.054344|0.049052|0.036016|0.034494|0.033648|0.031537|0.033130|0.034178|0.035212|0.036428|0.081612|0.071031|0.102158|0.087434|0.102241|0.087448|0.071054|0.081957|0.213627|0.500000| 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