Version2.1 2021-01-12T01:58:20Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 05-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](c1nnc(n1c2ccc(cc2)F)SCC(=O)NC(=O)NC(C)(C)C)[NH+]3CCCCC3 C09118001 RHF 6-31G(d) (6D,7F) C[C@@H](c1nnc(n1c2ccc(cc2)F)SCC(=O)NC(=O)NC(C)(C)C)[NH+]3CCCCC3 C01[X(C22H32F1N6O2S1)] 186 C1 548 O=C(NC(=O)NC(C)(C)C)CSc1nnc(n1c1ccc(cc1)F)[C@@H]([NH+]1CCCCC1)C O=C(NC(=O)NC(C)(C)C)CSc1nnc(n1c1ccc(cc1)F)[C@@H]([NH+]1CCCCC1)C C[C@H]([NH+]1CCCCC1)c2nnc(SCC(=O)NC(=O)NC(C)(C)C)n2c3ccc(F)cc3 InChIKey=DNLRYBXDOXUDNJ-HNNXBMFYSA-O InChI=1S/C22H31FN6O2S/c1-15(28-12-6-5-7-13-28)19-26-27-21(29(19)17-10-8-16(23)9-11-17)32-14-18(30)24-20(31)25-22(2,3)4/h8-11,15H,5-7,12-14H2,1-4H3,(H2,24,25,30,31)/p+1/t15-/m0/s1 InChI=1/C22H31FN6O2S/c1-15(28-12-6-5-7-13-28)19-26-27-21(29(19)17-10-8-16(23)9-11-17)32-14-18(30)24-20(31)25-22(2,3)4/h8-11,15H,5-7,12-14H2,1-4H3,(H2,24,25,30,31)/p+1/t15-/m0/s1/fC22H32FN6O2S/h24-25,28H/q+1 C[C@@H](c1nnc(n1c2ccc(cc2)F)SCC(=O)NC(=O)NC(C)(C)C)[NH+]3CCCCC3 C01[X(C22H32F1N6O2S1)] 186 C01 548 O=C(NC(=O)NC(C)(C)C)CSc1nnc(n1c1ccc(cc1)F)[C@@H]([NH+]1CCCCC1)C C[C@@H]([C]1[N][N][C]([N@]1[C]1[CH][CH][C]([CH][CH]1)F)SCC(=O)NC(=O)NC(C)(C)C)[NH]1CCCCC1 C[C@@H]([C]1[N][N][C](SCC(=O)NC(=O)NC(C)(C)C)N1[C]2[CH][CH][C](F)[CH][CH]2)[NH]3CCCCC3 InChIKey=LKLIJQLPNOBEFX-HNNXBMFYSA-N InChI=1S/C22H32FN6O2S/c1-15(28-12-6-5-7-13-28)19-26-27-21(29(19)17-10-8-16(23)9-11-17)32-14-18(30)24-20(31)25-22(2,3)4/h8-11,15,28H,5-7,12-14H2,1-4H3,(H2,24,25,30,31)/t15-/m0/s1 InChI=1/C22H32FN6O2S/c1-15(28-12-6-5-7-13-28)19-26-27-21(29(19)17-10-8-16(23)9-11-17)32-14-18(30)24-20(31)25-22(2,3)4/h8-11,15,28H,5-7,12-14H2,1-4H3,(H2,24,25,30,31)/t15-/m0/s1/f/h24-25H 3349.0634914001 -1824.9279858 1-A 27002.4040 123 425 548 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0.8440 0.8568 0.1619 0.8538 0.3655 0.7715 0.8364 0.8566 0.5179 0.8492 0.8155 0.6406 0.5778 0.6737 0.7374 0.3719 0.3915 0.2423 0.4909 0.1948 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 61 62 63 64 6 6 1 6 7 7 6 7 6 6 6 6 6 6 9 16 6 6 8 7 6 8 7 6 6 6 6 7 1 6 6 6 6 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 1 1 1 1 12.00000 12.00000 1.00783 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 10818.2338 38658.1052 46990.2048 0.99996 -0.00912 0.00106 0.00913 0.99992 -0.00825 -0.00099 0.00826 0.99997 1 0.00801 0.00224 0.00184 0.16682 0.04668 0.03841 17.12 21.93 30.98 38.64 52.77 59.97 68.95 71.43 94.36 95.72 116.59 140.71 158.45 163.30 187.09 187.86 210.06 243.55 261.27 282.52 342.12 352.07 357.09 378.16 412.22 414.80 427.73 452.75 475.61 487.06 509.90 513.28 527.34 539.33 555.18 572.20 591.39 628.33 671.49 677.25 679.56 688.00 702.56 711.34 720.91 743.05 753.29 766.97 778.61 811.69 872.70 902.73 955.17 982.01 997.84 1006.07 1116.68 1131.20 1149.47 1179.49 1188.45 1195.45 1234.38 1258.75 1260.49 1296.69 1308.53 1310.32 1344.62 1379.04 1384.41 1397.13 1420.29 1428.34 1453.95 1466.13 1472.65 1497.07 1525.54 1549.35 1556.80 1568.61 1585.12 1587.52 1589.34 1600.73 1603.26 1612.73 1633.95 1667.34 1681.00 1686.72 1687.83 1714.84 1727.38 1766.53 1781.03 1803.54 1834.58 1837.93 1848.05 1862.05 1868.11 1936.22 1942.27 1961.16 1971.29 1983.95 2013.94 2023.18 2025.41 2040.60 2052.29 2068.30 2092.83 2133.98 2140.88 2150.85 2160.47 2203.04 2215.93 2220.09 2240.74 2241.68 2243.55 2261.19 2266.39 2268.98 2282.10 2287.97 2306.07 2330.89 2335.21 2343.51 2351.80 2353.74 2357.09 2357.57 2361.02 2362.75 2369.74 2378.41 2378.84 2394.44 2403.26 2425.73 2431.25 2448.27 2450.44 2538.14 2573.83 2610.83 2848.26 2953.11 4601.89 4617.40 4619.88 4626.62 4631.14 4636.82 4656.72 4689.69 4697.29 4697.38 4701.51 4704.32 4711.09 4718.44 4721.40 4727.76 4734.36 4738.63 4774.58 4775.88 4776.25 4782.65 4788.31 4823.48 4836.66 4868.99 4877.11 4912.43 4914.38 5187.73 5546.56 5560.26 0.579947 0.610422 0.611366 0.513363 -1824.348039 -1824.317564 -1824.316620 -1824.414623 3.287037D-04 MUNgauss RevisionA2.0 retrievium 12-Jan-2021 DUDE C[C@@H](c1nnc(n1c2ccc(cc2)F)SCC(=O)NC(=O)NC(C)(C)C)[NH+]3CCCCC3 C09118001 RHF 6-31G(d) (6D,10F) C1 463.229150 |X|Y|Z| 144.454645 72.399523 29.886797 67.865470 18 6 7 14 4 |36.858105| |12.451813|36.858105| |8.872184|17.620658|0.500000| |7.612294|12.638786|0.246644|36.858105| |5.702832|7.806053|0.163543|14.922263|53.358707| |4.341974|5.307667|0.124822|8.907640|19.028601|53.358707| |4.380767|5.263294|0.131032|8.898097|12.162117|20.156686|36.858105| |5.779685|7.425332|0.187804|14.013382|11.949049|11.868647|13.898589|53.358707| |5.210859|6.018473|0.176893|7.562945|7.280171|7.258289|7.561094|18.086981|36.858105| |4.257629|5.121156|0.167240|5.741503|5.937250|5.856940|5.570269|10.635338|13.737065|36.858105| |3.583978|3.976195|0.129189|4.142316|4.543403|4.506086|4.078668|6.996991|7.946069|13.777902|36.858105| |3.498852|3.596664|0.111931|3.710440|4.134629|4.131380|3.718231|6.219354|6.963883|8.017441|13.799399|36.858105| |3.943146|3.841549|0.113812|4.060025|4.493388|4.523112|4.142770|6.995362|7.947550|6.849053|7.876024|13.798784|36.858105| |4.904079|4.848057|0.137536|5.531127|5.827912|5.892295|5.731686|10.626237|13.732508|7.906228|6.846208|8.015308|13.779199|36.858105| |2.912578|2.937951|0.090610|2.963349|3.419623|3.417371|2.968091|4.725683|4.699889|5.328908|8.201179|14.456356|8.198920|5.327778|97.533100| |3.251052|3.630660|0.096005|4.971554|6.729481|9.472220|10.876185|9.497272|5.978030|4.887524|3.920627|3.691141|4.083937|5.206584|6.780675|388.023441| |2.754742|3.046847|0.078937|4.013440|6.088933|8.942689|7.081154|6.445217|3.933110|3.430107|2.882599|2.731399|2.958728|3.556917|5.269187|74.601043|36.858105| |2.297122|2.481959|0.065699|3.082506|4.492270|5.869629|4.691176|4.883872|3.237011|2.936951|2.589826|2.497196|2.670455|3.052961|4.950508|50.173837|12.504040|36.858105| |2.216167|2.374418|0.063881|2.896886|4.063009|5.105540|4.289395|4.698050|3.280208|3.021112|2.728993|2.662095|2.832094|3.159029|5.314158|48.565980|8.033649|16.064715|73.516695| |2.055088|2.203540|0.058088|2.668581|3.967757|5.006245|3.733950|4.035018|2.666938|2.452504|2.191879|2.118959|2.250286|2.533061|4.273180|34.133552|7.898111|13.867234|14.857181|53.358707| |1.787926|1.902172|0.050712|2.239085|3.270827|3.945641|2.956399|3.349771|2.279305|2.142746|1.960266|1.904920|1.997749|2.190377|3.912984|26.173683|5.056411|7.681641|11.649223|18.305971|36.858105| |1.708477|1.820548|0.049106|2.123680|3.044843|3.620225|2.775210|3.207764|2.232461|2.135000|1.979272|1.921863|1.991432|2.148786|3.980202|24.966817|4.425820|6.633899|11.862184|11.348511|16.039037|73.516695| |1.666836|1.758175|0.046637|2.040851|3.007179|3.553499|2.591561|2.983523|2.021176|1.897197|1.742796|1.701115|1.787682|1.954226|3.517507|21.685442|4.078789|5.306702|8.128211|11.334056|14.045175|14.908686|53.358707| |1.476425|1.548037|0.041341|1.763345|2.568719|2.956820|2.163698|2.558264|1.760446|1.672392|1.558358|1.526892|1.592442|1.713718|3.197290|17.743542|3.114562|3.854368|6.340889|6.988616|7.594742|11.646501|17.528175|36.858105| |1.419739|1.473786|0.039532|1.667207|2.392456|2.732542|2.036271|2.439391|1.707015|1.621746|1.530288|1.516859|1.585787|1.687114|3.201861|16.912664|2.841776|3.553397|6.190474|5.959514|6.161821|10.756635|10.447085|12.424064|36.858105| |1.414355|1.473699|0.039149|1.663976|2.441461|2.772456|1.992627|2.374964|1.624109|1.536843|1.431016|1.405109|1.470180|1.584798|2.946844|15.799707|2.748885|3.196338|5.186440|5.599138|5.130210|7.783013|10.812096|12.437522|7.591565|36.858105| |1.407210|1.489341|0.040073|1.686897|2.448012|2.793951|2.046416|2.440707|1.687892|1.629340|1.522746|1.477689|1.520466|1.625792|3.106403|16.648708|2.861088|3.468799|5.806488|5.971532|6.197608|10.978058|10.521175|12.436837|7.543959|7.616250|36.858105| |7.463607|12.566133|0.252236|7.942820|9.731764|6.482175|4.289524|7.018356|4.208956|3.868042|3.147136|2.839179|2.950575|3.522673|5.437815|21.974179|2.779192|2.282637|3.826388|2.830829|1.808442|3.062026|2.304830|1.498379|1.412723|1.440521|1.450530|53.358707| |6.552350|9.397188|0.184932|8.166046|12.332860|7.528741|4.600760|7.037374|3.995530|3.568416|2.900785|2.649840|2.797691|3.383770|5.089373|23.004719|3.005317|2.424712|3.997692|3.028612|1.915205|3.208324|2.452092|1.582840|1.482060|1.528466|1.524874|25.563427|0.500000| |4.953593|7.649066|0.209696|6.259828|7.994066|5.918130|3.983048|6.289727|3.908770|3.895626|3.166139|2.746276|2.738401|3.173803|5.310315|21.194955|2.704384|2.245498|3.774560|2.792302|1.798327|3.070260|2.282261|1.489606|1.397335|1.425118|1.461640|17.179898|0.259363|36.858105| |3.777951|4.961913|0.131904|4.445775|6.310259|4.987561|3.251642|4.776851|3.015120|3.003202|2.543813|2.255318|2.252209|2.554748|4.474212|18.156305|2.435072|2.055364|3.425602|2.618425|1.703710|2.897469|2.191877|1.440667|1.341739|1.392215|1.421162|10.376233|0.200298|12.512891|36.858105| |3.618559|4.330451|0.115222|3.663026|5.073145|4.089969|2.716306|4.019408|2.621867|2.591555|2.267562|2.058486|2.066560|2.304737|4.148836|15.583552|2.093044|1.799961|3.021606|2.312155|1.520684|2.588859|1.974793|1.310389|1.228469|1.276187|1.288514|8.797108|0.164961|7.567010|12.469823|36.858105| |4.372855|4.904380|0.122447|3.949441|5.455109|4.267006|2.814318|4.210693|2.721531|2.597199|2.272569|2.107878|2.164735|2.441372|4.229922|15.912513|2.127441|1.819056|3.049762|2.332503|1.525789|2.582920|1.987317|1.314970|1.238062|1.285464|1.279414|10.414506|0.199288|6.551012|7.609127|12.470292|36.858105| |6.565698|7.438821|0.176816|5.076731|6.459627|4.823731|3.259678|5.154474|3.331793|3.118466|2.687746|2.494477|2.587885|2.967915|4.918680|17.889302|2.306389|1.951687|3.295813|2.458612|1.596054|2.708788|2.058072|1.354367|1.283545|1.313500|1.311184|17.242838|0.257153|7.700848|6.504951|7.513680|12.484010|36.858105| |17.611323|8.947883|0.213330|7.064449|7.016429|5.790024|4.588983|8.566710|6.231343|4.769710|4.065446|4.138212|4.938746|6.396085|7.553493|24.892187|2.851322|2.394992|4.166334|2.875586|1.837387|3.136155|2.314329|1.504619|1.458449|1.432229|1.428918|7.496936|0.139795|4.140472|3.220231|3.043612|3.512720|4.817634|0.500000| |17.613535|8.734071|0.214341|5.514996|6.034914|4.786080|3.539541|6.089491|4.295860|3.761484|3.318800|3.260909|3.567381|4.138892|6.294277|19.688605|2.387103|2.036355|3.516635|2.506711|1.624484|2.774589|2.073079|1.362474|1.314125|1.309757|1.304456|9.000388|0.153743|4.635827|3.643122|3.680037|4.531098|7.020813|0.303652|0.500000| |17.583738|8.761816|0.173199|6.872225|8.022113|6.087154|4.287492|7.082176|4.448534|3.614631|3.075613|3.040209|3.466259|4.301733|5.798728|22.656826|2.798119|2.320589|3.929468|2.857233|1.817920|3.057661|2.326651|1.509824|1.447700|1.457134|1.428951|9.232165|0.188173|4.469030|3.628504|3.522035|4.417409|6.251184|0.302199|0.298787|0.500000| |3.970461|5.103220|0.168984|5.767204|6.165348|6.028386|5.484324|9.777095|8.911979|17.725437|8.925699|5.678515|4.940633|5.634356|9.628964|33.267836|3.444209|2.924751|5.264085|3.357249|2.156284|3.819947|2.599964|1.683471|1.616068|1.547335|1.656223|5.553223|0.104116|4.401722|3.345133|2.794919|2.720088|3.212440|0.116525|0.098443|0.094890|0.500000| |3.103261|3.463779|0.113038|3.531493|4.004992|3.964063|3.462998|5.655830|5.634445|8.862316|17.753483|8.954636|5.634827|4.941386|16.761252|24.039284|2.599231|2.378431|4.461605|2.778554|1.851311|3.350124|2.247185|1.489320|1.462534|1.367396|1.469103|3.909291|0.073344|2.982179|2.440978|2.183171|2.149605|2.495625|0.094608|0.081794|0.074855|0.213012|0.500000| |3.535552|3.310822|0.095973|3.443112|3.945471|3.984400|3.532103|5.654545|5.635598|4.942902|5.634655|8.953695|17.754238|8.865910|16.752820|25.366651|2.698487|2.490115|4.717829|2.893248|1.907318|3.382319|2.340134|1.542399|1.550308|1.428771|1.465272|3.567244|0.069650|2.415308|2.030167|1.891779|1.995795|2.359588|0.121944|0.090696|0.088669|0.107373|0.124523|0.500000| |5.049081|4.658344|0.123912|5.410207|5.956599|6.096029|5.762046|9.767138|8.912080|5.634946|4.939277|5.677069|8.923515|17.730151|9.626240|36.964675|3.678003|3.133648|5.686288|3.559564|2.242666|3.861157|2.743505|1.759217|1.734950|1.636437|1.648633|4.689541|0.094383|3.007711|2.468346|2.250533|2.429263|2.941243|0.186601|0.115705|0.129921|0.124083|0.107349|0.213020|0.500000| |2.847627|3.076685|0.077870|4.040341|6.352884|9.363123|6.686501|6.208742|3.706254|3.149350|2.665636|2.571715|2.842026|3.448594|4.983736|56.234101|17.610402|8.808679|10.964365|9.672597|4.658862|7.001752|5.467055|3.064224|2.793577|2.790163|2.741782|3.845659|0.086447|2.673540|2.427968|2.112039|2.184326|2.364108|0.081409|0.068107|0.082426|0.086735|0.066521|0.073030|0.102755|0.500000| |2.699562|3.073744|0.079839|4.044854|6.357704|9.353878|6.681594|6.214089|3.717912|3.358483|2.793544|2.582195|2.728643|3.245545|5.003266|56.224212|17.612213|8.845722|11.058941|9.556994|4.769692|7.477316|5.366238|3.045436|2.704721|2.711491|2.885330|3.930472|0.087388|2.886459|2.632883|2.219556|2.219069|2.371727|0.075991|0.065366|0.075868|0.097213|0.071047|0.068645|0.091131|0.302288|0.500000| |2.096316|2.253725|0.058776|2.736950|4.180426|5.303841|3.765136|4.035788|2.604583|2.380977|2.108670|2.030054|2.160494|2.454567|4.084302|31.951795|7.702054|9.367649|10.831713|26.038295|9.237862|10.931724|10.686503|4.890859|3.990703|4.213174|4.180522|2.937167|0.064940|2.121752|2.010615|1.771992|1.791001|1.872648|0.059195|0.052081|0.060080|0.066978|0.054536|0.056608|0.070831|0.214862|0.206537|0.500000| |1.721139|1.803836|0.047448|2.098115|3.121795|3.696210|2.656032|3.042841|2.039869|1.891491|1.729331|1.695218|1.798185|1.981271|3.493275|21.806772|4.170937|5.150749|7.654109|10.862845|9.511854|10.966547|26.042546|9.052794|6.343697|7.817613|5.785549|2.368967|0.051789|1.706246|1.641308|1.483559|1.504165|1.556731|0.048668|0.043563|0.049457|0.052696|0.045253|0.048153|0.057378|0.119953|0.110496|0.236964|0.500000| |1.451624|1.494315|0.039911|1.690708|2.426283|2.771185|2.064935|2.473626|1.729302|1.626548|1.534653|1.533125|1.618071|1.725584|3.232694|17.118928|2.869183|3.553734|6.171767|5.892362|5.651629|9.316002|9.513140|8.781176|17.539730|6.946015|5.485767|1.942374|0.041665|1.398938|1.339721|1.231292|1.249612|1.299400|0.041532|0.037267|0.041311|0.044715|0.040515|0.044182|0.049749|0.080029|0.074472|0.110702|0.181645|0.500000| |1.313644|1.360477|0.036599|1.523842|2.179003|2.457197|1.826257|2.214930|1.558031|1.489563|1.414371|1.403000|1.459745|1.541902|2.981528|14.920848|2.451017|2.964734|5.207258|4.799365|4.639371|8.341236|7.584276|8.813071|17.554354|6.921849|6.879465|1.782847|0.038058|1.298586|1.252940|1.153078|1.160112|1.198017|0.037406|0.033964|0.037171|0.041284|0.037741|0.039759|0.043920|0.067057|0.065524|0.091408|0.134983|0.301357|0.500000| |1.446602|1.505967|0.040601|1.707836|2.430759|2.786374|2.107477|2.526473|1.784022|1.703208|1.613967|1.600136|1.666651|1.764232|3.382459|17.884683|2.959297|3.818227|6.923994|6.196416|6.621989|13.249507|9.370972|8.774878|17.618397|5.506113|6.862006|1.951516|0.041593|1.422667|1.357163|1.238627|1.245393|1.297717|0.041478|0.037166|0.040731|0.047069|0.042902|0.045216|0.050112|0.079020|0.077653|0.110139|0.153149|0.300761|0.301126|0.500000| |1.436732|1.505689|0.039894|1.701728|2.520885|2.859925|2.026320|2.407273|1.630941|1.545096|1.429765|1.394787|1.456059|1.577678|2.915379|15.805812|2.785819|3.151006|5.006367|5.547526|4.830307|7.214924|9.820538|8.768794|5.499686|17.551240|6.952631|2.020872|0.043956|1.474152|1.450865|1.326432|1.331881|1.352235|0.040160|0.036943|0.041198|0.043487|0.037983|0.039120|0.045175|0.078827|0.077998|0.121145|0.204856|0.141386|0.140987|0.122831|0.500000| |1.309453|1.360594|0.036294|1.521565|2.216830|2.487045|1.794372|2.165919|1.493439|1.422145|1.333852|1.311967|1.366832|1.461580|2.769540|14.130423|2.390237|2.745130|4.558388|4.603367|4.142581|6.688180|7.725998|8.821516|6.918074|17.584193|6.939707|1.813655|0.039093|1.321387|1.294671|1.193125|1.199675|1.222837|0.036825|0.033868|0.037385|0.039767|0.035567|0.037019|0.041791|0.067008|0.065668|0.094870|0.151311|0.171335|0.207388|0.141079|0.301360|0.500000| |1.444620|1.492907|0.039480|1.685607|2.475264|2.809726|2.016560|2.403350|1.640905|1.538759|1.432518|1.415888|1.493502|1.614113|2.966447|15.935819|2.767974|3.187341|5.159337|5.525734|4.803985|7.152638|9.742391|8.749784|6.926177|17.520603|5.503974|1.980099|0.042978|1.425892|1.389356|1.278916|1.297961|1.329805|0.040707|0.037109|0.041563|0.042771|0.037840|0.040496|0.046685|0.079781|0.074531|0.116594|0.226811|0.208704|0.171252|0.141209|0.300091|0.302274|0.500000| |1.430850|1.520474|0.041137|1.726314|2.485552|2.846692|2.114274|2.523076|1.758640|1.709394|1.602581|1.551191|1.587364|1.690172|3.264056|17.523162|2.972414|3.698107|6.367972|6.182380|6.628346|13.603674|9.378604|8.766154|6.874432|5.512987|17.631236|2.003462|0.042778|1.490029|1.439418|1.299974|1.286726|1.325062|0.040517|0.036823|0.040116|0.048309|0.043063|0.042390|0.047296|0.077243|0.083111|0.114952|0.141899|0.140259|0.170170|0.204787|0.141440|0.141485|0.122722|0.500000| |1.303634|1.372972|0.037033|1.539180|2.221930|2.502832|1.833629|2.215723|1.542805|1.494996|1.407655|1.370677|1.406939|1.493485|2.901197|14.731345|2.463582|2.913271|4.964726|4.806214|4.653286|8.429938|7.623490|8.844011|6.877798|6.981052|17.558251|1.824649|0.039018|1.350785|1.318335|1.203483|1.194861|1.221029|0.036747|0.033746|0.036758|0.042147|0.037871|0.037833|0.042045|0.066125|0.068838|0.094416|0.127745|0.140719|0.205810|0.169142|0.172532|0.209571|0.141759|0.301374|0.500000| |1.430523|1.524064|0.040923|1.728481|2.531232|2.887835|2.086477|2.479534|1.698151|1.641932|1.523696|1.467826|1.506849|1.620268|3.073874|16.691440|2.909888|3.422051|5.574853|5.931252|5.722274|9.601419|9.643264|8.799605|5.489075|6.967013|17.555043|2.037867|0.043888|1.516498|1.485318|1.341459|1.326135|1.350821|0.040103|0.036820|0.040404|0.046712|0.040876|0.040138|0.045561|0.077549|0.083630|0.120497|0.155725|0.122893|0.140562|0.140375|0.209618|0.171564|0.141532|0.300689|0.301083|0.500000| |4.773639|6.967356|0.224852|5.321244|6.364687|5.003892|3.544683|5.751806|3.839429|4.002686|3.338521|2.862211|2.787982|3.145143|5.577114|19.616337|2.455978|2.081795|3.553302|2.581975|1.681317|2.897102|2.130386|1.401310|1.324198|1.337465|1.379410|12.414163|0.182114|17.599601|8.792358|6.836403|5.827991|7.112682|0.113166|0.131095|0.114531|0.125817|0.088829|0.068151|0.081201|0.066896|0.071915|0.053948|0.044036|0.036795|0.034301|0.037575|0.038256|0.034610|0.037137|0.039196|0.035558|0.039579|0.500000| |4.634907|7.317897|0.203106|7.255893|9.354074|7.046903|4.752008|7.427366|4.427275|4.467147|3.474689|2.938581|2.913561|3.431934|5.596207|24.542486|3.094602|2.522013|4.220824|3.097007|1.974467|3.373362|2.478648|1.604319|1.498720|1.522163|1.577947|12.355772|0.223961|17.671847|8.807339|5.502229|4.904321|5.621823|0.113013|0.115360|0.116651|0.147287|0.090396|0.070365|0.089168|0.083421|0.093356|0.065246|0.051266|0.041543|0.038509|0.042550|0.043765|0.039039|0.042158|0.044891|0.040265|0.045554|0.300358|0.500000| |3.221565|4.138888|0.115337|3.845698|5.389776|4.507143|3.004672|4.358376|2.820703|2.896274|2.482968|2.177013|2.137425|2.386478|4.357042|17.314885|2.331223|1.994947|3.340875|2.548978|1.673060|2.864765|2.148819|1.419526|1.320238|1.367689|1.413284|7.583440|0.146040|8.982199|17.575584|8.786871|5.515482|4.884833|0.078807|0.086893|0.085122|0.091324|0.067393|0.053516|0.063373|0.063644|0.070624|0.054133|0.044388|0.036420|0.034333|0.037175|0.039635|0.035432|0.037694|0.039886|0.036470|0.041128|0.213815|0.213772|0.500000| |3.612304|4.637085|0.117518|4.483515|6.910997|5.469892|3.405298|4.798178|2.938266|2.859076|2.408918|2.157219|2.183055|2.503029|4.273488|18.864292|2.607385|2.175780|3.573785|2.797092|1.806743|3.043847|2.335889|1.526381|1.410024|1.481617|1.501941|9.344894|0.211908|8.889654|17.529632|8.803531|6.774570|5.673539|0.086167|0.094183|0.100046|0.087751|0.063717|0.054912|0.068171|0.072964|0.079318|0.060391|0.048832|0.039125|0.036489|0.039445|0.043144|0.038116|0.041092|0.042056|0.038577|0.043842|0.173372|0.215480|0.303811|0.500000| |3.457342|4.078164|0.114231|3.371291|4.491037|3.697130|2.526637|3.797997|2.554444|2.578445|2.292867|2.074333|2.054960|2.255033|4.214521|14.742610|1.952372|1.697919|2.879253|2.173085|1.439145|2.467562|1.863932|1.243285|1.171915|1.207132|1.226271|7.651055|0.135442|6.772276|8.845247|17.526481|8.843315|6.719783|0.081928|0.100656|0.090841|0.077268|0.062014|0.052271|0.060501|0.054290|0.057153|0.045896|0.038729|0.032591|0.030629|0.032922|0.034721|0.031458|0.033559|0.034480|0.031905|0.035344|0.199799|0.139146|0.215172|0.173282|0.500000| |3.052689|3.526348|0.093650|3.126356|4.438351|3.699456|2.444029|3.526209|2.310257|2.284238|2.022267|1.849505|1.857656|2.055979|3.763577|14.323890|1.962624|1.704193|2.852372|2.214886|1.466155|2.492450|1.918226|1.279034|1.195254|1.252961|1.261227|6.628486|0.132534|5.512173|8.832548|17.590800|8.845716|5.493303|0.072932|0.085835|0.084257|0.068214|0.054402|0.047629|0.056113|0.055156|0.058036|0.047344|0.040053|0.033231|0.031260|0.033357|0.036307|0.032615|0.034831|0.035217|0.032812|0.036597|0.139528|0.123370|0.208766|0.214829|0.303540|0.500000| |3.894521|4.079909|0.104775|3.317682|4.517484|3.663811|2.460636|3.669675|2.434697|2.334749|2.087784|1.961177|2.012447|2.232290|3.987277|14.274191|1.911248|1.658243|2.796538|2.136767|1.409792|2.392778|1.844728|1.229226|1.162481|1.205918|1.195846|7.605513|0.145347|4.911852|5.515239|8.787286|17.575716|8.981747|0.088771|0.116799|0.109681|0.067138|0.055181|0.052121|0.061904|0.054577|0.054941|0.045436|0.038783|0.032634|0.030372|0.032444|0.034635|0.031390|0.033871|0.033363|0.031161|0.034348|0.130582|0.108014|0.123178|0.138638|0.214992|0.209280|0.500000| |4.160628|4.580592|0.110122|3.941505|5.764509|4.505128|2.882460|4.188065|2.645712|2.479950|2.159298|2.017407|2.096202|2.387029|4.042655|16.230956|2.217722|1.884301|3.126927|2.435473|1.585755|2.663230|2.077663|1.369935|1.283406|1.346735|1.327396|9.361328|0.210307|5.697984|6.785805|8.826170|17.520710|8.887354|0.093827|0.114742|0.123269|0.071856|0.056424|0.053930|0.066971|0.064075|0.064440|0.052427|0.043941|0.036054|0.033358|0.035703|0.038909|0.034816|0.037868|0.036907|0.034383|0.038331|0.133358|0.127599|0.138811|0.197360|0.173482|0.215816|0.303971|0.500000| 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