Version2.4 2021-05-29T12:57:04Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 12-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)C)[C@@H](C(=O)NC(C)(C)C)N(C(=O)c2cc(ccc2[O-])[N+](=O)[O-])C(C)(C)C C36585800 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)C)[C@@H](C(=O)NC(C)(C)C)N(C(=O)c2cc(ccc2[O-])[N+](=O)[O-])C(C)(C)C C01[X(C25H32N3O5)] 189 C1 559 O=C([C@@H](N(C(C)(C)C)C(=O)c1cc(ccc1[O-])[N+](=O)[O-])c1ccc(cc1C)C)NC(C)(C)C O=C([C@@H](N(C(C)(C)C)C(=O)c1cc(ccc1[O-])[N+](=O)[O-])c1ccc(cc1C)C)NC(C)(C)C Cc1ccc([C@H](N(C(=O)c2cc(ccc2[O-])[N+]([O-])=O)C(C)(C)C)C(=O)NC(C)(C)C)c(C)c1 InChIKey=XIELSWCPXATNMU-NRFANRHFSA-M InChI=1S/C25H33N3O5/c1-15-9-11-18(16(2)13-15)21(22(30)26-24(3,4)5)27(25(6,7)8)23(31)19-14-17(28(32)33)10-12-20(19)29/h9-14,21,29H,1-8H3,(H,26,30)/p-1/t21-/m0/s1 InChI=1/C25H33N3O5/c1-15-9-11-18(16(2)13-15)21(22(30)26-24(3,4)5)27(25(6,7)8)23(31)19-14-17(28(32)33)10-12-20(19)29/h9-14,21,29H,1-8H3,(H,26,30)/p-1/t21-/m0/s1/fC25H32N3O5/h29h,26H/q-1 Cc1ccc(c(c1)C)[C@@H](C(=O)NC(C)(C)C)N(C(=O)c2cc(ccc2[O-])[N+](=O)[O-])C(C)(C)C C01[X(C25H32N3O5)] 189 C01 559 O=C([C@@H](N(C(C)(C)C)C(=O)c1cc(ccc1[O-])[N+](=O)[O-])c1ccc(cc1C)C)NC(C)(C)C O=[C]([NH]C(C)(C)C)[C@@H](N(C(C)(C)C)C(=O)[C]1[CH][C]([CH]=[CH][C]1[O])[N]([O])[O])[C]1[CH][CH][C]([CH][C]1C)C C[C]1[CH][CH][C]([C](C)[CH]1)[C@H](N(C(=O)[C]2[CH][C](C=C[C]2[O])N([O])[O])C(C)(C)C)C(=O)NC(C)(C)C InChIKey=SMHNMBPDQQOJNS-NRFANRHFSA-N InChI=1S/C25H32N3O5/c1-15-9-11-18(16(2)13-15)21(22(30)26-24(3,4)5)27(25(6,7)8)23(31)19-14-17(28(32)33)10-12-20(19)29/h9-14,21H,1-8H3,(H,26,30)/t21-/m0/s1 InChI=1/C25H32N3O5/c1-15-9-11-18(16(2)13-15)21(22(30)26-24(3,4)5)27(25(6,7)8)23(31)19-14-17(28(32)33)10-12-20(19)29/h9-14,21H,1-8H3,(H,26,30)/t21-/m0/s1/f/h26H 3710.2301899350 -1502.960006 1-A 14045.0120 122 437 559 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0.2184 0.8500 0.8566 0.8571 0.8372 0.8560 0.8571 0.8571 0.8556 0.8404 0.8356 0.8254 0.8092 0.7843 0.8372 0.7728 0.8564 0.7989 0.8270 0.3120 0.6982 0.8545 0.2660 0.4537 0.4723 0.7205 0.3082 0.8030 0.8060 0.8047 0.7713 0.8118 0.6205 0.5337 0.7921 0.6357 0.8173 0.7196 0.7279 0.6839 0.7896 0.2725 0.0884 0.7198 0.6781 0.5917 0.8254 0.4512 0.5275 0.3516 0.6632 0.7319 0.2904 0.6586 0.3110 0.8231 0.8103 0.2777 0.8168 0.4563 0.1439 0.0509 0.7771 0.3237 0.4589 0.8009 0.1096 0.8122 0.3218 0.2147 0.5097 0.7784 0.6287 0.8442 0.8388 0.5763 0.8286 0.8535 0.4449 0.6645 0.2497 0.8529 0.6737 0.8459 0.7680 0.7453 0.8278 0.1581 0.4267 0.8036 0.8505 0.7994 0.8168 0.7875 0.8477 0.8540 0.8002 0.8458 0.8563 0.6229 0.8106 0.5288 0.6147 0.8208 0.7404 0.8005 0.5014 0.7496 0.2525 0.3343 0.8016 0.8010 0.8092 0.7299 0.5729 0.5117 0.6299 0.6121 0.8074 0.8561 0.8360 0.5894 0.6459 0.8282 0.8031 0.6527 0.2776 0.4599 0.7966 0.5969 0.6415 0.5796 0.8552 0.8523 0.8111 0.8570 0.7973 0.8541 0.8571 0.8491 0.8459 0.8543 0.8322 0.7827 0.8124 0.8252 0.8571 0.8064 0.7410 0.6784 0.8261 0.8277 0.7593 0.7542 0.6356 0.7314 0.6619 0.4902 0.8276 0.0998 0.2600 0.3307 0.0172 0.1489 0.1679 0.1784 0.8519 0.8558 0.8560 0.8547 0.8373 0.8560 0.8568 0.8442 0.8568 0.8545 0.8277 0.8567 0.8332 0.8068 0.8262 0.6520 0.5246 0.3544 0.5049 0.5770 0.3396 0.4325 0.6401 0.3586 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 65 6 6 6 6 6 6 6 6 6 1 6 8 7 6 6 6 6 7 6 8 6 6 6 6 6 6 8 7 8 8 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 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 15.99491 15.99491 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 1.00783 11142.4146 17711.8684 20311.2459 0.99977 -0.01968 0.00811 0.01956 0.99970 0.01449 -0.00839 -0.01433 0.99986 1 0.00777 0.00489 0.00426 0.16197 0.10189 0.08885 21.85 32.54 46.74 54.35 57.15 63.58 76.44 86.15 94.18 115.32 129.79 156.25 185.46 204.41 226.49 237.18 255.58 263.66 284.32 293.19 308.70 341.13 344.98 348.89 358.86 362.03 417.57 423.56 441.75 450.13 455.11 464.94 478.64 497.97 508.80 519.05 545.90 554.93 568.11 586.65 603.64 630.06 646.77 670.32 681.78 706.43 714.69 725.92 737.77 753.44 790.13 822.39 832.97 845.97 874.70 902.29 951.56 1003.29 1021.14 1089.67 1101.89 1116.17 1131.75 1170.98 1201.76 1221.56 1264.77 1279.02 1287.19 1302.05 1333.02 1347.87 1358.03 1374.31 1393.35 1418.77 1433.22 1443.03 1447.02 1457.65 1463.74 1470.39 1516.81 1517.80 1530.57 1579.76 1590.37 1598.39 1607.47 1612.09 1623.17 1650.13 1662.37 1663.82 1666.65 1682.59 1688.46 1689.60 1718.31 1746.19 1796.86 1802.47 1807.18 1866.33 1890.58 1906.95 1949.66 1963.59 1967.56 1971.17 1980.82 1989.75 2003.28 2014.22 2052.33 2070.79 2095.43 2109.15 2174.38 2187.74 2220.70 2227.56 2236.66 2240.66 2242.71 2244.07 2247.09 2264.77 2277.61 2284.56 2311.01 2334.83 2347.53 2349.11 2350.80 2356.47 2358.20 2361.19 2362.20 2364.23 2367.40 2378.68 2379.46 2380.75 2390.34 2391.85 2402.83 2410.52 2425.39 2526.95 2546.94 2554.05 2565.38 2601.85 2619.92 2727.12 2745.94 4594.92 4596.18 4601.84 4607.45 4613.78 4616.75 4620.56 4635.35 4666.45 4677.04 4685.05 4685.51 4703.27 4703.56 4706.84 4709.04 4709.37 4718.46 4744.43 4760.75 4768.61 4775.27 4780.65 4785.28 4796.01 4799.86 4823.63 4851.55 4904.75 4914.86 4960.49 5287.76 0.579578 0.611147 0.612091 0.515364 -1502.380428 -1502.348859 -1502.347915 -1502.444642 3.244239D-04 MUNgauss RevisionA2.1 retrievium 29-May-2021 DUDE Cc1ccc(c(c1)C)[C@@H](C(=O)NC(C)(C)C)N(C(=O)c2cc(ccc2[O-])[N+](=O)[O-])C(C)(C)C C36585800 RHF 6-31G(d) (6D,10F) C1 454.234196 |X|Y|Z| 51.379486 63.741574 85.686242 65.469830 15 6 7 14 1 |36.858105| |12.606702|36.858105| |7.540493|13.784083|36.858105| |5.013224|7.925020|13.740307|36.858105| |4.405769|6.772063|7.872620|13.735959|36.858105| |4.996632|7.822172|6.844894|7.945605|13.596926|36.858105| |7.559283|13.703010|8.023190|6.963574|7.935582|13.740887|36.858105| |3.802299|5.013463|4.435823|5.005348|7.464630|12.594085|7.630391|36.858105| |3.251823|4.382128|4.985356|7.520427|12.410459|7.444815|4.986123|6.340322|36.858105| |3.034205|3.972120|4.193679|5.621469|8.963319|7.345381|4.794516|7.776853|17.696961|0.500000| |2.969833|3.844467|4.452882|6.306889|7.771508|5.455475|4.138956|4.781912|12.362343|0.254337|36.858105| |2.844352|3.590632|3.921580|5.036391|6.211660|5.116769|3.973895|4.829364|8.045090|0.217903|15.708518|73.516695| |2.771775|3.479121|4.226814|5.852115|5.928417|4.260684|3.509970|3.671092|7.778078|0.163323|14.263558|14.959690|53.358707| |2.487272|2.985450|3.545366|4.416109|4.264099|3.375610|2.946421|2.985884|4.943449|0.116417|7.652417|11.709080|17.687620|36.858105| |2.718234|3.227199|3.811111|4.475212|4.157177|3.426180|3.112475|2.965869|4.306591|0.104029|6.208814|10.845767|10.520406|12.407642|36.858105| |2.294646|2.683149|3.226146|3.877107|3.557169|2.861169|2.576021|2.527389|3.972277|0.093968|5.146761|7.795132|10.787966|12.432918|7.605461|36.858105| |2.140239|2.513090|2.842833|3.413907|3.500565|2.932831|2.553544|2.746529|4.198312|0.106890|6.173515|10.993841|10.487520|12.408604|7.568859|7.613240|36.858105| |2.873997|3.694515|4.287594|6.090345|7.518973|5.247456|3.973208|4.682668|12.953448|0.250947|7.576640|9.504534|9.202612|4.469110|3.688128|3.966948|3.840564|53.358707| |3.086464|3.950685|4.580261|6.147127|6.887230|5.181196|4.148964|4.457895|7.773728|0.174095|5.117699|7.104406|6.567212|3.547148|3.108920|3.335225|3.042528|18.009209|36.858105| |3.186753|4.046028|4.353976|5.377678|6.419290|5.570059|4.463403|5.036021|6.532751|0.166781|4.331920|6.421703|5.304732|3.004265|2.729390|2.792936|2.654631|11.331317|15.856800|73.516695| |2.945537|3.613241|4.364927|5.465029|5.131044|4.015023|3.523854|3.409074|5.287986|0.120699|4.167298|5.911034|5.913500|3.379286|2.972052|3.407746|2.843377|10.321380|12.872774|14.457981|36.858105| |2.829438|3.319620|3.817546|4.318744|4.076034|3.487036|3.214123|3.040769|3.992282|0.097308|3.239726|4.836644|4.501744|2.720151|2.471093|2.763982|2.355432|6.964378|7.878861|12.495989|13.721621|36.858105| |2.567368|2.888028|3.310624|3.569270|3.264503|2.856435|2.724218|2.514701|3.180877|0.078581|2.740962|4.174985|3.910112|2.464868|2.262581|2.585778|2.144728|5.271360|5.116968|8.281961|7.848806|13.795018|36.858105| |2.428662|2.715567|3.195820|3.461199|3.070277|2.635003|2.518049|2.306233|3.031873|0.073918|2.735345|4.149732|4.061827|2.619359|2.386665|2.861664|2.250412|4.969704|4.431169|6.815697|6.742464|7.880884|13.453466|36.858105| |2.501609|2.867075|3.495421|3.963023|3.437920|2.831998|2.653313|2.445541|3.474548|0.082261|3.208399|4.744488|4.977107|3.175508|2.817816|3.581497|2.650283|5.803206|4.921659|7.060512|7.745310|6.887609|7.970299|14.134517|36.858105| |2.751880|3.308564|4.146852|5.161844|4.497598|3.476119|3.120774|2.944506|4.714753|0.106077|4.192323|5.888140|6.582208|3.865709|3.310636|4.191738|3.134421|8.544210|7.297810|9.201773|13.084510|7.749305|6.684351|7.717194|13.086003|36.858105| |2.696212|3.271927|4.158720|5.410232|4.694100|3.510810|3.100697|2.970968|5.182211|0.113087|5.053090|6.831920|8.889190|5.074731|4.081238|5.741855|3.879158|8.984561|6.247206|8.012635|7.939921|5.267240|4.668006|5.355137|8.222898|15.435164|73.516695| |2.369627|2.576081|2.836282|2.942656|2.746993|2.508276|2.444971|2.258798|2.651664|0.067452|2.308703|3.608219|3.237129|2.086064|1.947232|2.170418|1.852119|4.224101|3.938307|6.865804|5.127001|7.848701|13.445868|7.762605|5.175358|4.464776|6.160444|53.358707| |2.381846|2.577516|2.754331|2.836355|2.721287|2.551270|2.493596|2.335072|2.612270|0.067677|2.236851|3.530926|3.065846|1.966727|1.846381|2.006409|1.764996|4.112306|3.875027|7.177674|4.651895|7.037253|8.412550|5.376404|4.094102|3.835087|5.469864|21.520170|73.516695| |2.159777|2.300593|2.526422|2.584196|2.393552|2.197973|2.165097|1.989615|2.316897|0.059196|2.072347|3.271882|2.936830|1.934585|1.816983|2.040584|1.726461|3.620543|3.216744|5.546350|4.068554|5.429850|8.442412|7.042690|4.702896|3.843314|5.508463|21.470917|16.021725|73.516695| |2.374030|2.910177|3.217999|4.136707|4.950124|4.016586|3.165854|3.994829|7.576005|0.202646|5.779093|8.185496|7.170137|3.872165|3.147390|3.503522|3.652487|17.331747|7.822808|11.278156|5.555273|4.263812|3.384562|3.195385|3.616652|4.827190|8.914888|3.834694|4.937965|4.352136|36.858105| |2.163007|2.610238|2.877327|3.631845|4.238275|3.506092|2.818285|3.538768|6.408917|0.177927|6.293981|9.325336|7.987986|4.482651|3.452351|3.904802|4.609692|10.427512|5.050345|7.635044|4.107003|3.275013|2.767307|2.724139|3.127074|3.986193|7.966711|3.200684|4.080259|3.740938|12.409081|36.858105| |2.139114|2.544470|2.832556|3.487984|3.824962|3.195618|2.673024|3.114020|4.981259|0.129181|4.198319|6.156965|5.771213|3.355709|2.742874|3.281572|3.163777|10.514855|6.761249|9.712550|5.908680|4.705205|3.825137|3.635604|4.083662|5.258678|9.115411|4.283164|5.422420|4.857445|12.394093|7.713670|36.858105| |2.296346|2.776862|2.919537|3.571873|4.435983|3.995545|3.139615|4.381010|6.090367|0.195620|4.568175|7.148868|5.355568|3.087988|2.658744|2.773920|3.003193|10.200788|6.195045|11.173524|4.403592|3.752918|3.001563|2.739444|2.946320|3.676405|6.498602|3.562115|4.756289|4.037527|12.349834|7.633990|7.611396|36.858105| |17.538117|8.825454|5.753721|4.248450|3.946434|4.632163|6.882833|3.720552|3.008124|0.079809|2.807554|4.922261|3.526301|2.363524|2.617995|2.156350|2.068759|3.566674|2.742222|5.048186|2.581839|2.470904|2.252089|2.143411|2.214015|2.430645|4.294033|2.852858|3.760454|3.423690|2.210251|2.047632|1.980283|2.163767|0.500000| |17.526140|8.836892|6.019901|4.358312|3.959649|4.528354|6.530085|3.606429|3.010901|0.078978|2.689571|4.553536|3.425616|2.249402|2.400473|2.102011|1.960603|3.728385|3.023988|5.695950|2.905828|2.885182|2.628545|2.435735|2.449988|2.657837|4.525343|3.372254|4.500246|4.000150|2.293687|2.062315|2.093537|2.251164|0.302089|0.500000| |17.566725|8.837268|7.202904|4.732870|3.939937|4.154866|5.583827|3.229064|3.005275|0.076755|2.823156|4.774398|3.697350|2.486580|2.750682|2.337165|2.118464|3.687516|2.897728|5.182111|2.861811|2.752231|2.559753|2.473254|2.554797|2.754926|4.818498|3.211757|4.147070|3.876385|2.244765|2.064876|2.053826|2.135194|0.301517|0.301946|0.500000| |6.954432|8.914739|17.698185|8.941186|5.628388|4.936176|5.671013|3.546907|4.084938|0.096521|3.833754|6.041657|5.246609|3.383422|3.683775|3.213634|2.696602|5.061102|3.994824|6.637503|4.093452|3.670365|3.334586|3.318468|3.627102|4.101439|7.280940|3.901364|4.852045|4.621936|2.877990|2.610179|2.620897|2.587883|0.146875|0.157259|0.218943|0.500000| |4.097796|5.659345|8.970055|17.754309|8.935357|5.648014|5.001932|4.071480|7.011615|0.141435|6.501055|8.707839|9.546617|5.146972|4.968563|4.715121|3.753022|8.755832|6.272415|8.910722|6.168550|4.572227|3.849412|3.910505|4.764084|6.562821|13.221812|4.178081|5.111718|4.826410|4.310393|3.838175|3.750278|3.513915|0.098268|0.101387|0.112911|0.217709|0.500000| |7.053383|8.943154|5.687009|4.995603|5.648347|8.965962|17.676598|7.163872|4.069933|0.113951|3.476357|6.133178|4.050228|2.567687|2.716010|2.263557|2.286579|4.564217|3.496215|6.837785|3.010490|2.827495|2.438385|2.245862|2.329873|2.676145|4.704141|3.051419|4.116871|3.557943|2.803037|2.525014|2.397894|2.866171|0.201590|0.181879|0.141526|0.124490|0.108298|0.500000| |3.356945|4.294719|3.972333|4.581007|6.656194|8.852161|5.923515|17.559537|6.398180|0.228770|4.519513|7.775604|4.826351|2.850560|2.739601|2.459214|2.649048|7.000943|5.020648|10.806500|3.666874|3.295622|2.669117|2.403331|2.526028|3.058578|5.380854|3.266832|4.465027|3.715978|4.552355|3.823592|3.493214|5.405057|0.089457|0.091138|0.080729|0.090462|0.107575|0.154798|0.500000| |3.880817|4.813897|4.006808|4.192503|5.544251|8.874082|7.420018|17.567980|4.676358|0.150089|3.808358|6.966718|4.178977|2.594267|2.627203|2.235836|2.410225|5.075685|3.684490|7.468091|2.959816|2.731841|2.306900|2.111325|2.204239|2.581838|4.585345|2.880266|3.924637|3.338791|3.286239|2.958667|2.679387|3.630090|0.109008|0.104188|0.089704|0.091063|0.096100|0.233282|0.301872|0.500000| |3.350362|4.285118|3.952565|4.547633|6.588737|8.815276|5.927545|17.557069|6.388440|0.236085|5.272521|10.305936|5.272844|3.183701|3.164773|2.618955|3.004725|6.146456|4.004842|7.602720|3.119712|2.743312|2.306137|2.156425|2.315528|2.785156|5.132296|2.813727|3.758440|3.273356|3.999318|3.758904|3.056948|4.348277|0.092904|0.086744|0.081217|0.090020|0.106728|0.155557|0.300949|0.301760|0.500000| |2.778871|3.484250|4.354637|6.162441|5.882542|4.131968|3.444888|3.506782|7.553579|0.152735|9.522471|10.841698|25.747499|8.932537|5.999717|7.789775|5.910605|10.859413|5.721159|7.696780|5.404033|3.884307|3.341467|3.524931|4.512129|6.442304|17.621231|3.654028|4.454229|4.296503|5.790502|5.906977|4.890657|4.086543|0.070863|0.070963|0.076124|0.112106|0.226342|0.080735|0.096548|0.081903|0.099108|0.500000| |3.060981|3.655492|4.520415|5.210242|4.451132|3.613616|3.375118|3.002551|4.297608|0.101226|5.703114|9.371903|9.583532|8.796196|17.551855|6.972637|5.499314|5.059453|3.249218|5.052466|3.177918|2.641730|2.430078|2.580418|3.063998|3.585677|7.824145|2.828898|3.481891|3.447339|3.063642|3.207962|2.706977|2.592245|0.080607|0.074008|0.087697|0.124898|0.165342|0.080452|0.076687|0.074247|0.086588|0.167339|0.500000| |2.431320|2.788933|3.214018|3.606277|3.363298|2.881700|2.679009|2.555483|3.471187|0.086440|4.661888|8.401894|7.611688|8.786356|17.518200|6.925796|6.918216|4.195829|2.661750|4.210674|2.589337|2.201626|2.052588|2.181904|2.549303|2.895057|6.218297|2.434119|3.010829|3.000112|2.725124|3.009306|2.437748|2.340728|0.065690|0.060126|0.069035|0.088363|0.109889|0.066348|0.066064|0.064105|0.075587|0.129981|0.300617|0.500000| |2.825679|3.384494|3.851221|4.487761|4.404986|3.741261|3.362439|3.278469|4.518537|0.112655|6.691195|13.457049|9.464814|8.780774|17.616922|5.514072|6.876051|4.970248|3.058114|4.880007|2.828720|2.374332|2.149258|2.220578|2.568481|3.028048|6.411358|2.542855|3.188495|3.083862|3.134751|3.447061|2.659700|2.721306|0.076960|0.068786|0.077984|0.100021|0.129567|0.081888|0.082208|0.080480|0.099855|0.146485|0.301025|0.300343|0.500000| |2.132544|2.486444|2.950234|3.563456|3.361851|2.715429|2.419937|2.444503|3.901546|0.093163|4.827410|7.206300|9.747447|8.773999|5.506182|17.562726|6.947332|5.633288|3.443915|5.066150|3.554699|2.865302|2.684426|2.990705|3.784962|4.441727|10.962062|3.049435|3.668065|3.742246|3.813494|4.345191|3.699917|2.938311|0.055562|0.055033|0.059881|0.081011|0.119348|0.059452|0.067360|0.059958|0.070134|0.214003|0.141680|0.141175|0.122955|0.500000| |2.112818|2.413639|2.839072|3.271135|3.019860|2.518550|2.311735|2.256514|3.288476|0.080357|4.155964|6.710740|7.722875|8.820599|6.961633|17.537678|6.950912|4.414815|2.803103|4.286714|2.868547|2.405620|2.289736|2.534510|3.085225|3.442722|7.833522|2.667921|3.230443|3.316916|2.949765|3.298122|2.798180|2.419062|0.055732|0.053815|0.060188|0.079563|0.106366|0.057258|0.060733|0.056298|0.065205|0.150368|0.172638|0.208873|0.141616|0.300450|0.500000| |2.484800|2.909073|3.616200|4.321931|3.735023|2.965229|2.715248|2.548918|3.970446|0.091971|4.846801|7.178092|9.798602|8.767257|6.901687|17.588520|5.509000|5.470272|3.523251|5.193753|3.747288|3.021232|2.856361|3.231076|4.161495|4.833650|12.145950|3.218134|3.837917|3.956187|3.403459|3.575598|3.238247|2.706429|0.063931|0.063034|0.071259|0.102850|0.153627|0.065598|0.068761|0.062842|0.071944|0.219428|0.208199|0.169968|0.141096|0.303018|0.299959|0.500000| |2.179045|2.569654|2.840781|3.397998|3.626305|3.108413|2.671784|2.980310|4.385871|0.116295|6.635356|13.728022|9.427664|8.775980|6.876181|5.516329|17.628312|5.172241|2.991006|4.738161|2.712631|2.267422|2.044053|2.106001|2.435474|2.886439|6.149383|2.424047|3.050828|2.938388|3.646409|4.641277|3.048460|3.104101|0.059150|0.055313|0.059207|0.073509|0.099860|0.066894|0.078928|0.072378|0.093253|0.144610|0.140379|0.170201|0.204683|0.141637|0.141533|0.122928|0.500000| |1.988351|2.285252|2.563392|2.973934|2.983187|2.566474|2.294277|2.409413|3.413416|0.088068|4.646798|8.466980|7.603695|8.799330|6.922137|6.946576|17.518309|4.317141|2.620066|4.122827|2.503149|2.118636|1.963354|2.076414|2.423565|2.775559|5.990121|2.332560|2.897784|2.869703|3.037790|3.696216|2.723263|2.568246|0.053713|0.050642|0.055181|0.068760|0.090308|0.057723|0.064375|0.059855|0.072658|0.128883|0.141359|0.208248|0.170065|0.171530|0.209024|0.141254|0.300290|0.500000| |2.005674|2.347891|2.646303|3.191184|3.312953|2.776224|2.400554|2.642001|4.116318|0.105804|5.652714|9.531443|9.532415|8.789715|5.497400|6.979355|17.547046|5.437153|3.121892|4.802988|2.923401|2.414360|2.197197|2.308145|2.725025|3.229584|7.102336|2.576405|3.202739|3.134046|4.009590|5.401804|3.532659|3.217055|0.053579|0.051675|0.054974|0.069750|0.097975|0.059981|0.072421|0.064299|0.079646|0.162996|0.123028|0.141247|0.140360|0.209944|0.172247|0.142012|0.300880|0.300974|0.500000| |2.852701|3.327131|3.650754|4.037972|4.001853|3.591256|3.316105|3.208837|3.870494|0.097749|3.065226|4.667976|4.109846|2.492462|2.292304|2.475490|2.198245|6.534275|7.468260|14.474532|8.995914|17.796631|8.984310|5.626502|4.965926|5.565650|7.524661|9.840066|14.060353|8.833041|4.135288|3.136569|4.422939|3.901203|0.069495|0.082437|0.075536|0.095277|0.112574|0.082321|0.098926|0.080858|0.078868|0.095470|0.067505|0.056873|0.062216|0.070849|0.060492|0.073896|0.059679|0.054986|0.062448|0.500000| |2.225755|2.427271|2.806265|2.958103|2.638278|2.313850|2.243694|2.048761|2.597123|0.064340|2.393695|3.699347|3.551023|2.355764|2.173405|2.597704|2.050261|4.131610|3.547717|5.637614|4.887698|5.632408|8.844328|17.762684|9.022894|5.532884|7.651454|9.726841|8.764022|14.047658|2.727878|2.389329|3.086143|2.386124|0.054997|0.062249|0.063557|0.082081|0.091506|0.056329|0.058954|0.052721|0.053527|0.083730|0.065107|0.056025|0.056145|0.075176|0.065251|0.081046|0.053275|0.053261|0.058316|0.124145|0.500000| |2.331251|2.632990|3.200022|3.576373|3.092684|2.568778|2.424941|2.234047|3.146271|0.075069|3.042135|4.553905|4.854171|3.238635|2.871442|3.841661|2.696103|5.066833|4.018053|5.891353|5.572868|4.960602|5.640541|9.013339|17.722643|8.857700|13.466602|5.681107|6.032145|7.158167|3.238411|2.934869|3.614570|2.645555|0.057908|0.062829|0.066944|0.093912|0.120357|0.059553|0.063366|0.056247|0.059581|0.120714|0.086793|0.073346|0.071380|0.113354|0.093108|0.126590|0.067713|0.069519|0.076943|0.107759|0.215498|0.500000| |2.133547|2.560905|2.889514|3.657212|4.039416|3.264470|2.689253|3.163660|5.809523|0.147976|6.397379|9.139949|9.457828|5.376516|3.845873|4.817018|5.511245|9.488692|4.742860|6.912903|4.151389|3.254133|2.811563|2.858103|3.384515|4.334962|9.231067|3.211924|4.019451|3.792227|8.771699|17.618830|7.049020|5.519123|0.055898|0.056152|0.057355|0.074110|0.111977|0.066493|0.092273|0.074525|0.092640|0.199904|0.098187|0.093156|0.102796|0.157485|0.109686|0.118539|0.143492|0.119716|0.192563|0.084105|0.069715|0.090176|0.500000| |1.940032|2.292126|2.482787|3.022167|3.461041|2.998522|2.472459|3.105355|4.784014|0.138313|4.687097|7.466693|6.070412|3.703848|2.947891|3.346149|3.967171|7.585245|4.175386|6.612280|3.529330|2.945215|2.539446|2.493643|2.800723|3.416367|6.615306|2.997478|3.845240|3.532012|8.870268|17.540744|7.127196|7.098999|0.051345|0.051827|0.051528|0.063298|0.087811|0.062730|0.094016|0.074014|0.091471|0.124712|0.076145|0.073429|0.081880|0.104196|0.081163|0.085120|0.111319|0.092061|0.130846|0.079360|0.061638|0.073579|0.301050|0.500000| |2.236118|2.716274|2.949652|3.720209|4.510498|3.796296|2.992217|3.939337|7.023422|0.213353|7.505058|11.994555|8.376595|4.723579|3.716647|3.831401|5.048058|9.267880|4.560145|7.177080|3.653147|2.963911|2.516762|2.469451|2.808700|3.529734|7.082341|2.948639|3.786915|3.460874|8.678494|17.585643|5.528670|6.868534|0.059450|0.058688|0.058872|0.073352|0.106104|0.074655|0.115652|0.090174|0.121893|0.156161|0.093790|0.089021|0.107043|0.113181|0.091039|0.096404|0.152033|0.109888|0.157476|0.079917|0.060672|0.073736|0.301148|0.303245|0.500000| |2.177608|2.573217|2.840236|3.424154|3.713369|3.173302|2.695456|3.081275|4.521149|0.117964|3.676670|5.479608|4.986377|2.946379|2.494270|2.906833|2.738403|9.246570|7.367534|11.154248|6.668841|5.695996|4.450571|3.995899|4.267825|5.333796|8.445182|4.978409|6.396959|5.489871|8.690079|5.538644|17.588268|6.964756|0.055593|0.060026|0.057908|0.073168|0.100599|0.067478|0.097496|0.074559|0.081760|0.117100|0.069585|0.061876|0.067428|0.088946|0.069754|0.081623|0.073775|0.066636|0.082761|0.152714|0.093003|0.101253|0.141552|0.145124|0.122357|0.500000| |1.919519|2.243977|2.453550|2.940907|3.224996|2.791578|2.367290|2.797315|4.107520|0.111533|3.640533|5.573270|4.976140|3.031944|2.495145|2.971692|2.979898|7.616947|4.940839|7.702443|4.447051|3.804000|3.246981|3.117827|3.422097|4.119719|7.283397|3.784453|4.835728|4.382446|8.840533|7.241744|17.541083|6.935033|0.049898|0.052306|0.051258|0.063521|0.086707|0.059995|0.086911|0.067939|0.077456|0.112328|0.067504|0.062636|0.067575|0.093627|0.072021|0.079945|0.080247|0.072180|0.093975|0.101746|0.075831|0.086763|0.179807|0.223107|0.145174|0.302701|0.500000| |2.131478|2.526234|2.880894|3.561377|3.722417|3.039022|2.587451|2.868322|4.729269|0.116839|4.241037|6.102498|6.277653|3.682596|2.932805|3.769936|3.393058|9.759672|6.266626|8.529264|6.285054|4.786894|4.045487|4.069627|4.839948|6.374635|11.465889|4.395342|5.377943|5.054883|8.790220|6.930853|17.597032|5.514581|0.054573|0.057557|0.057613|0.075383|0.110936|0.064001|0.086687|0.069022|0.078528|0.155603|0.080772|0.072530|0.077066|0.122388|0.087761|0.103987|0.087905|0.081256|0.106445|0.117748|0.095103|0.120434|0.208645|0.171318|0.140902|0.301132|0.300223|0.500000| |2.388291|2.910447|2.993618|3.649454|4.756470|4.469686|3.400480|5.297200|6.597159|0.248257|4.923137|8.084061|5.409628|3.131039|2.750450|2.721903|3.080666|9.103162|5.383598|10.029035|3.861796|3.316068|2.693923|2.479252|2.668784|3.298995|5.955461|3.233233|4.329128|3.698510|8.689923|6.921125|5.496460|17.562028|0.063264|0.064552|0.061016|0.072610|0.096825|0.086903|0.186445|0.118330|0.152185|0.109736|0.073860|0.066932|0.080132|0.078418|0.066386|0.073290|0.091196|0.072904|0.089800|0.096025|0.060556|0.067383|0.140482|0.174363|0.204436|0.140559|0.142039|0.122599|0.500000| |2.030892|2.397831|2.507632|2.985899|3.558343|3.274350|2.672185|3.603855|4.639388|0.145392|3.837681|6.211417|4.664520|2.807627|2.414678|2.563140|2.816542|7.486406|4.736525|8.459723|3.708973|3.270971|2.714324|2.507158|2.673546|3.221304|5.719580|3.282779|4.382162|3.774991|8.814126|7.045544|7.051191|17.524681|0.053584|0.055486|0.052872|0.062873|0.082645|0.068973|0.119229|0.086193|0.101300|0.098100|0.064811|0.060085|0.068368|0.076327|0.063023|0.068711|0.080671|0.067808|0.085274|0.093986|0.061620|0.067685|0.143413|0.217350|0.171758|0.176080|0.212048|0.142488|0.302806|0.500000| 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