Version2.4 2021-06-07T05:17:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 18-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCN1C(=O)[C@H]2[C@H]([NH2+][C@@]([C@@H]2C1=O)(CC(=O)[O-])C(=O)[O-])c3ccc4c(c3)c5ccccc5n4CC C34258482 RHF 6-31G(d) (6D,7F) CCCCN1C(=O)[C@H]2[C@H]([NH2+][C@@]([C@@H]2C1=O)(CC(=O)[O-])C(=O)[O-])c3ccc4c(c3)c5ccccc5n4CC C01[X(C27H28N3O6)] 186 C1 596 CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@@H]2c1ccc2c(c1)c1ccccc1n2CC)(CC(=O)[O-])C(=O)[O-] CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@@H]2c1ccc2c(c1)c1ccccc1n2CC)(CC(=O)[O-])C(=O)[O-] CCCCN1C(=O)[C@H]2[C@H]([NH2+][C@](CC([O-])=O)([C@@H]2C1=O)C([O-])=O)c3ccc4n(CC)c5ccccc5c4c3 InChIKey=LNVONLISHKYBFK-QSGNWFJVSA-M InChI=1S/C27H29N3O6/c1-3-5-12-30-24(33)21-22(25(30)34)27(26(35)36,14-20(31)32)28-23(21)15-10-11-19-17(13-15)16-8-6-7-9-18(16)29(19)4-2/h6-11,13,21-23,28H,3-5,12,14H2,1-2H3,(H,31,32)(H,35,36)/p-1/t21-,22+,23-,27-/m1/s1 InChI=1/C27H29N3O6/c1-3-5-12-30-24(33)21-22(25(30)34)27(26(35)36,14-20(31)32)28-23(21)15-10-11-19-17(13-15)16-8-6-7-9-18(16)29(19)4-2/h6-11,13,21-23,28H,3-5,12,14H2,1-2H3,(H,31,32)(H,35,36)/p-1/t21-,22+,23-,27-/m1/s1/fC27H28N3O6/h28H/q-1 CCCCN1C(=O)[C@H]2[C@H]([NH2+][C@@]([C@@H]2C1=O)(CC(=O)[O-])C(=O)[O-])c3ccc4c(c3)c5ccccc5n4CC C01[X(C27H28N3O6)] 186 C01 596 CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@@H]2c1ccc2c(c1)c1ccccc1n2CC)(CC(=O)[O-])C(=O)[O-] CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2][C@@H]2[C]1[CH][CH][C]2[C]([CH]1)[C]1[CH][CH][CH][CH][C]1N2CC)(C[C]([O])=O)[C]([O])=O CCCCN1C(=O)[C@H]2[C@H]([NH2][C@](CC([O])=O)([C@@H]2C1=O)C([O])=O)[C]3[CH][CH][C]4[C]([CH]3)[C]5[CH][CH][CH][CH][C]5N4CC InChIKey=OTUUZXZQXTXFFY-QSGNWFJVSA-N InChI=1S/C27H28N3O6/c1-3-5-12-30-24(33)21-22(25(30)34)27(26(35)36,14-20(31)32)28-23(21)15-10-11-19-17(13-15)16-8-6-7-9-18(16)29(19)4-2/h6-11,13,21-23H,3-5,12,14,28H2,1-2H3/t21-,22+,23-,27-/m1/s1 InChI=1/C27H28N3O6/c1-3-5-12-30-24(33)21-22(25(30)34)27(26(35)36,14-20(31)32)28-23(21)15-10-11-19-17(13-15)16-8-6-7-9-18(16)29(19)4-2/h6-11,13,21-23H,3-5,12,14,28H2,1-2H3/t21-,22+,23-,27-/m1/s1 3938.0455201083 -1651.3851334 1-A 20185.0468 130 466 596 |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|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.47260 -20.46508 -20.36696 -20.36485 -20.35939 -20.35257 -15.54280 -15.53863 -15.52519 -11.28865 -11.28017 -11.21957 -11.21848 -11.21219 -11.20558 -11.20187 -11.19631 -11.18635 -11.18208 -11.17749 -11.17521 -11.17340 -11.16802 -11.16798 -11.16782 -11.16758 -11.16677 -11.16450 -11.16278 -11.16152 -11.16030 -11.15814 -11.15384 -11.14807 -11.14442 -11.10391 -1.34367 -1.32283 -1.26063 -1.24866 -1.24780 -1.20876 -1.19029 -1.15111 -1.14059 -1.08889 -1.08312 -1.03795 -1.01477 -0.99725 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3265.5385 3267.8045 3274.7288 3281.9139 3295.2832 3312.4082 3326.4224 3349.3213 3363.7726 3376.3182 3377.7755 3379.0599 3384.7201 3391.8862 3627.2025 5.2941 4.3156 4.0455 7.9442 6.5329 6.8692 3.2893 4.1728 2.6385 2.8045 10.3458 5.2885 5.7149 3.3786 4.5967 7.7087 5.9255 5.7025 7.5498 3.7576 6.1337 4.2607 1.1706 3.7660 1.1393 4.7883 6.2300 4.5248 3.7820 3.2638 2.6812 5.2807 6.6037 5.4694 4.6235 4.0045 4.4859 3.2639 3.3702 4.3524 4.0448 3.3031 4.3345 6.5831 4.7073 3.9472 4.7604 4.0820 4.5834 3.8442 4.9202 5.8708 5.2221 8.4771 4.9807 3.7773 2.9419 1.3169 4.8719 3.9789 2.8386 2.3558 2.4330 2.0557 1.3901 2.9111 3.8397 3.5185 4.9796 3.7606 1.8710 1.4986 2.8350 3.2228 2.1048 3.0604 4.1463 2.1967 2.4905 1.6270 1.7706 1.3728 5.2191 3.4165 1.2975 3.2492 2.7818 2.7844 2.0983 2.3029 1.3318 3.3910 2.6192 3.4228 2.7363 1.8748 2.3322 2.2447 2.2488 1.8388 1.8117 2.2214 2.2195 1.9132 1.8552 1.7176 1.5891 1.8336 1.7107 1.8264 1.7062 1.8617 1.4845 1.3026 1.5998 1.4403 1.6902 1.0932 1.5849 1.7523 1.5616 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11.2072 4.8530 2.6777 72.3378 24.8024 0.4191 4.8954 24.7687 20.0549 5.2034 3.5144 16.9900 5.7455 2.3732 2.4232 4.5002 2.3257 3.3579 41.0421 4.7221 4.3597 12.9219 11.5738 24.5566 19.4373 9.8792 16.4914 22.2698 35.0398 26.2325 34.3687 22.7549 11.7726 15.2023 18.2787 3.8000 4.9398 28.5541 29.8008 1.6245 29.2257 19.4366 15.4994 28.6691 28.0944 29.8702 2.3336 18.8897 39.4968 1.3254 3.0668 9.5845 0.0916 17.7354 12.2374 3.6749 6.9419 0.4904 0.4993 2.1712 24.7069 23.2645 90.3599 7.6057 34.5961 16.7862 6.2207 31.9004 2.5750 24.9866 53.6761 56.2319 2.9175 86.5183 1.2251 55.0469 3.0418 43.6430 74.5206 6.8034 23.1479 15.8497 17.2968 8.1845 31.0718 0.2498 16.5152 28.7257 103.6493 35.3140 105.2825 292.2477 48.4295 43.6465 432.8282 42.7308 60.8358 110.5118 77.1066 29.8785 21.4875 4.2560 35.0658 49.0211 7.4668 54.4996 15.3965 7.9527 0.7437 5.4670 1.1182 3.6340 82.2779 3.3471 11.5982 20.4466 326.2376 9.5061 21.3578 54.7770 18.1755 18.9521 325.0866 693.1713 756.7294 185.8768 1166.0185 39.8410 39.3143 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12117.7373 26692.5046 33175.8249 0.99954 -0.03019 0.00390 0.03017 0.99954 0.00413 -0.00402 -0.00401 0.99998 1 0.00715 0.00324 0.00261 0.14893 0.06761 0.05440 23.62 28.64 37.86 46.56 53.83 79.56 87.65 95.73 108.01 112.74 128.79 142.58 156.71 177.40 183.96 201.56 210.44 212.62 229.13 262.19 290.00 320.33 326.24 335.84 374.53 396.16 433.99 456.25 463.85 472.04 478.31 491.42 516.63 538.23 577.36 607.22 621.88 673.48 680.75 695.58 710.24 721.64 756.98 775.75 844.47 868.88 900.52 907.33 915.73 920.35 948.93 984.79 998.99 1002.32 1061.73 1094.82 1122.74 1141.00 1146.90 1166.38 1185.63 1207.10 1209.51 1212.50 1222.17 1237.19 1266.30 1281.85 1303.22 1326.80 1354.91 1378.92 1383.13 1389.55 1407.40 1431.97 1434.79 1450.10 1460.40 1486.52 1497.58 1521.86 1556.00 1566.72 1574.42 1578.31 1604.95 1607.31 1629.73 1636.75 1662.10 1673.00 1676.18 1702.33 1715.26 1732.33 1750.79 1765.04 1772.67 1787.86 1805.88 1816.34 1846.01 1878.89 1884.90 1890.68 1915.72 1927.03 1932.32 1981.22 1992.94 2012.05 2031.46 2046.43 2053.90 2067.56 2084.42 2095.65 2099.38 2120.87 2150.25 2153.11 2157.86 2158.97 2167.01 2190.79 2195.76 2197.37 2205.24 2211.47 2248.16 2253.67 2256.36 2265.88 2273.82 2306.38 2328.18 2346.27 2348.83 2352.12 2354.44 2361.76 2364.87 2365.52 2376.91 2382.55 2389.33 2390.09 2406.18 2551.19 2555.61 2585.69 2588.07 2633.18 2770.44 2779.89 2853.41 2959.66 4171.00 4578.73 4599.34 4612.04 4612.94 4615.14 4617.98 4621.83 4651.73 4663.04 4678.60 4682.66 4692.42 4698.38 4701.64 4711.60 4721.94 4741.18 4765.82 4785.98 4818.93 4839.72 4857.77 4859.87 4861.71 4869.86 4880.17 5218.74 0.558961 0.589110 0.590054 0.494296 -1650.826172 -1650.796023 -1650.795079 -1650.890838 3.211773D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CCCCN1C(=O)[C@H]2[C@H]([NH2+][C@@]([C@@H]2C1=O)(CC(=O)[O-])C(=O)[O-])c3ccc4c(c3)c5ccccc5n4CC C34258482 RHF 6-31G(d) (6D,10F) C1 490.197811 |X|Y|Z| 114.568169 73.007136 41.579808 70.324058 21 6 7 18 3 |36.858105| |12.464874|36.858105| |7.483557|12.457682|36.858105| |4.879472|7.510896|12.474332|36.858105| |3.790565|4.969190|7.679896|13.111516|53.358707| |3.304928|4.069778|5.741984|7.635807|18.735714|36.858105| |3.291953|4.021288|5.319797|6.617020|11.328120|15.963457|73.516695| |2.799673|3.257900|4.364163|5.180147|11.390690|12.661297|13.789835|36.858105| |2.936038|3.314968|4.508125|4.858890|9.784035|9.259235|11.658531|17.535108|0.500000| |2.301616|2.598557|3.248493|3.719074|6.954713|6.891854|10.079161|12.474378|0.252382|36.858105| |2.241449|2.477977|3.058944|3.353397|5.938493|5.874744|9.440358|8.811365|0.228366|17.623514|0.500000| |2.154311|2.392496|2.952585|3.292388|5.979073|5.066233|7.343463|8.362202|0.211449|12.653434|0.253803|53.358707| |2.169830|2.363020|2.916119|3.121411|5.517436|4.627371|6.867937|7.239329|0.220346|9.267642|0.244828|24.691663|0.500000| |1.941167|2.143195|2.577091|2.871684|5.003792|4.129662|6.249225|5.979596|0.150727|8.821276|0.197295|25.592469|0.308454|0.500000| |2.315414|2.607720|3.261672|3.706397|6.908990|5.153648|7.070488|7.916664|0.200438|7.521043|0.158093|16.848358|0.257506|0.257765|36.858105| |2.695283|3.171018|4.161340|5.151463|11.295805|8.052040|9.638495|12.554378|0.249096|7.981626|0.159521|11.034283|0.179988|0.172566|12.467689|36.858105| |2.507120|2.981807|3.759820|4.866241|9.881084|7.161212|9.248698|8.950613|0.175389|7.196647|0.143050|9.288963|0.145964|0.162960|8.972337|17.517075|0.500000| |3.299223|4.066426|5.709123|7.596103|18.430200|8.129011|9.734093|8.137545|0.200002|5.190335|0.118496|6.873946|0.127240|0.116379|6.885632|12.613142|0.258552|36.858105| |3.378474|4.122079|5.490457|6.674230|11.349863|5.516301|7.473563|5.477007|0.146257|3.998113|0.095197|5.593230|0.106849|0.098969|5.641120|7.709877|0.181035|16.090355|73.516695| |2.347520|2.565035|3.184792|3.381712|5.904341|4.203740|5.997711|5.759640|0.175302|5.224173|0.126724|10.314318|0.225264|0.174034|12.363944|7.281167|0.152622|5.797324|9.585681|36.858105| |2.479414|2.634651|3.299938|3.304884|5.625853|4.177666|6.129409|5.602821|0.199793|5.014092|0.133969|8.777946|0.233274|0.143766|7.195103|5.676047|0.120849|4.959177|8.075341|12.277634|36.858105| |2.340839|2.482171|3.083352|3.110658|5.306288|4.264866|6.437282|5.955670|0.218826|5.934033|0.172921|10.216204|0.334889|0.162087|6.500441|5.264939|0.115933|4.345873|6.772431|7.995544|15.063037|73.516695| |2.622211|2.714227|3.359197|3.206800|5.178537|3.685354|5.544183|4.480848|0.156139|3.898983|0.105879|6.254415|0.152666|0.108406|5.208812|4.570848|0.101210|4.472372|7.776572|8.055520|15.726194|15.243746|73.516695| |2.023031|2.272071|2.720516|3.119018|5.406449|3.925033|5.723808|5.141117|0.127527|5.370049|0.118844|10.391220|0.164847|0.226158|12.202435|7.424021|0.208834|5.148458|8.297206|7.496861|4.817987|7.903589|6.916201|36.858105| |1.814425|2.010308|2.364096|2.663106|4.483016|3.394997|5.154002|4.385670|0.110531|5.099749|0.117412|10.032765|0.160949|0.272438|8.075264|5.429521|0.155689|3.957862|6.396429|5.841715|4.229644|7.399378|6.098958|15.330337|73.516695| |2.057768|2.332012|2.758839|3.204814|5.395933|3.685002|5.399902|4.444899|0.110835|4.286458|0.097546|7.244798|0.123802|0.149756|8.118091|6.619499|0.197345|5.306580|9.212894|6.157323|4.136750|6.556874|6.323709|15.665624|15.128641|73.516695| |2.094702|2.385354|2.874811|3.389891|5.989898|5.715368|9.235996|7.340267|0.152997|12.527830|0.248220|10.107739|0.157059|0.195131|5.516346|6.063275|0.186918|4.322775|6.144659|3.940813|3.634177|7.216474|5.338914|4.838357|8.615524|7.159372|36.858105| |1.889495|2.142874|2.520913|2.971483|5.060490|4.342794|6.990140|5.296457|0.117694|7.389578|0.160116|8.720001|0.134214|0.197524|5.243628|5.296579|0.176386|3.859370|5.739425|3.724140|3.255224|6.224695|4.842044|5.405939|10.342088|7.961912|13.615862|36.858105| |1.736420|1.964587|2.249984|2.642982|4.280094|3.577793|6.057274|3.973505|0.091959|4.952136|0.118473|5.955025|0.099675|0.132782|3.847636|3.977260|0.131662|3.176306|4.884116|2.951204|2.633700|4.973358|4.047357|4.106159|7.862080|6.516249|7.840092|13.763661|36.858105| |1.740038|1.969995|2.231916|2.614893|4.127741|3.530570|6.317512|3.687968|0.086278|4.432400|0.111741|5.012848|0.087496|0.106403|3.241312|3.489523|0.112226|2.920711|4.491455|2.582751|2.388476|4.545443|3.729950|3.278786|6.065868|5.336110|6.856060|8.003194|13.743805|36.858105| |1.896656|2.154285|2.466893|2.888211|4.588490|4.160591|7.841606|4.205272|0.097527|5.056906|0.131827|5.227061|0.092777|0.105762|3.296926|3.680274|0.114743|3.105266|4.675447|2.647320|2.522398|4.882173|3.937549|3.133447|5.641601|5.067182|7.933894|6.896954|7.863987|13.601807|36.858105| |2.097464|2.390689|2.830292|3.322313|5.570170|5.489106|10.168280|5.848344|0.129559|7.683273|0.197121|6.798274|0.118474|0.130851|4.050405|4.635557|0.140367|3.724482|5.400417|3.161178|3.049224|6.041385|4.653983|3.609239|6.379764|5.663950|13.719568|7.922943|6.797406|7.895316|13.752889|36.858105| |1.801226|2.030087|2.262735|2.601778|3.936475|3.460098|6.809107|3.329121|0.080491|3.745314|0.101784|4.075320|0.075070|0.082215|2.653819|2.948356|0.089850|2.622415|4.047957|2.221527|2.152730|4.132797|3.436580|2.537242|4.548543|4.203963|4.990136|4.550421|5.277420|8.336853|13.109483|7.302138|36.858105| |1.834642|2.051268|2.256200|2.540553|3.736185|3.282601|6.750503|3.053303|0.075894|3.304668|0.092774|3.618263|0.068465|0.071763|2.378301|2.654036|0.078641|2.435356|3.789194|2.045659|2.026906|3.896140|3.280506|2.232134|3.959634|3.726297|4.028995|3.553934|3.851287|5.205689|7.290627|5.656700|13.722033|36.858105| |1.679896|1.859257|1.998416|2.218483|3.179772|2.691582|5.433392|2.508169|0.063502|2.668067|0.074793|3.040785|0.058133|0.060852|2.036576|2.242459|0.066211|2.097446|3.330278|1.784095|1.767437|3.363241|2.896073|1.941174|3.452978|3.280661|3.146229|2.901487|3.191856|4.138282|5.002865|4.037372|7.971724|13.783872|36.858105| |1.538380|1.700640|1.816280|2.023580|2.897908|2.397115|4.691509|2.272154|0.057433|2.430790|0.067141|2.841755|0.054014|0.057740|1.921831|2.089976|0.062394|1.950400|3.129923|1.682750|1.645601|3.106375|2.698815|1.873512|3.359683|3.187296|2.896761|2.797847|3.200181|4.165929|4.550476|3.555502|6.894565|7.910928|13.660258|36.858105| |1.515818|1.685156|1.815390|2.048584|2.979027|2.454454|4.692418|2.370195|0.059151|2.579842|0.070035|3.036785|0.056898|0.062556|2.052154|2.217332|0.067318|2.036554|3.262714|1.771823|1.706314|3.213250|2.777121|2.037075|3.686087|3.461511|3.181210|3.195921|3.863842|5.283717|5.266282|3.847526|7.830682|6.769033|7.861737|13.780498|36.858105| |1.628310|1.826343|2.005060|2.297948|3.428969|2.885831|5.481955|2.821869|0.068940|3.152549|0.084423|3.621266|0.066631|0.074805|2.408422|2.618907|0.080728|2.345947|3.696192|2.030720|1.939520|3.675296|3.115164|2.386245|4.331868|4.004555|4.125199|4.162450|5.288730|8.492763|8.332705|5.208781|13.581621|7.884455|6.895222|8.018055|13.698497|36.858105| |1.599388|1.797935|1.990580|2.301043|3.499257|2.907892|5.311801|2.941702|0.071008|3.365874|0.087630|3.956547|0.071290|0.083757|2.633863|2.816559|0.088794|2.462419|3.881600|2.178958|2.035894|3.839281|3.239539|2.691593|4.968948|4.497171|4.594474|5.129089|7.593576|13.763410|8.380420|5.325452|8.381686|5.322948|4.614336|5.139581|7.599044|13.787241|53.358707| |1.460913|1.632350|1.785270|2.047259|3.070026|2.467934|4.429023|2.513260|0.061637|2.821899|0.073320|3.482340|0.063218|0.074831|2.377628|2.489638|0.078327|2.206447|3.553700|1.997649|1.848073|3.440485|2.964835|2.509135|4.679391|4.264969|3.638952|4.247626|6.118196|7.574472|5.192926|3.890854|5.190448|3.887273|3.648246|4.249909|6.117029|7.568700|17.949203|36.858105| |1.478062|1.664350|1.802261|2.089075|3.082671|2.411683|4.300612|2.404590|0.058894|2.596180|0.066474|3.242725|0.058883|0.068869|2.297278|2.446046|0.077980|2.220071|3.619950|1.938305|1.775378|3.247965|2.874049|2.453863|4.468907|4.298671|3.247097|3.760692|5.059938|5.687555|4.282796|3.401164|4.281086|3.399838|3.254301|3.760387|5.055381|5.682392|10.434247|12.470923|36.858105| |17.537537|8.778026|6.782129|4.508557|4.990221|3.346651|6.076634|2.834631|0.083712|2.345877|0.064473|2.955684|0.061299|0.054179|2.286123|2.643170|0.067903|3.144706|5.553471|2.317638|2.501632|4.273500|4.692395|1.978400|3.182520|3.526313|2.121448|1.891130|1.735202|1.750432|1.928581|2.145356|1.839231|1.893072|1.729774|1.569880|1.535955|1.648737|2.188487|1.459634|1.463866|0.500000| |17.544029|8.781477|6.791789|4.509996|4.998926|3.160885|5.430422|2.770349|0.081972|2.277465|0.061509|2.962233|0.061391|0.054428|2.370327|2.715451|0.069249|3.346620|6.272919|2.462635|2.617729|4.311376|5.040821|2.065985|3.279357|3.748113|2.047171|1.858463|1.696646|1.681353|1.817145|2.017060|1.710692|1.726251|1.579124|1.454925|1.443030|1.554292|2.096227|1.413882|1.428348|0.301817|0.500000| |17.535652|8.768171|5.457132|4.050313|4.364729|2.841527|5.088359|2.438309|0.070139|2.051546|0.055570|2.624079|0.053738|0.048804|2.062265|2.369262|0.062200|2.840503|5.202751|2.082922|2.176538|3.671822|4.074738|1.835902|2.950221|3.335468|1.898199|1.731408|1.610035|1.619890|1.754493|1.911665|1.684739|1.722752|1.596305|1.469503|1.443404|1.536276|2.048209|1.383738|1.406719|0.301439|0.301404|0.500000| |8.860740|17.499801|8.847814|6.907182|6.298841|3.991087|7.393522|3.120026|0.086421|2.534640|0.067456|3.116384|0.062358|0.057352|2.446259|2.978400|0.079531|3.677597|6.411825|2.357308|2.410658|4.119759|4.339279|2.154144|3.425482|3.910685|2.378300|2.130491|1.978451|2.015176|2.222633|2.438628|2.127478|2.178150|1.983264|1.802677|1.770134|1.906882|2.524004|1.676086|1.713070|0.210831|0.173013|0.212644|0.500000| |8.864646|17.507041|8.856589|6.903733|6.310872|3.685725|6.310742|3.033737|0.084476|2.448376|0.064075|3.122707|0.062429|0.057625|2.548424|3.080573|0.081661|4.007460|7.585206|2.508290|2.512321|4.151829|4.606769|2.266973|3.545072|4.216268|2.274680|2.083597|1.921549|1.911708|2.056882|2.255032|1.935622|1.934871|1.765607|1.634895|1.632295|1.765105|2.385436|1.607810|1.656820|0.173021|0.210876|0.212814|0.303598|0.500000| |6.847203|8.836922|17.549565|8.900486|9.591066|5.177028|8.049831|4.329435|0.129035|3.219300|0.083939|4.143290|0.084678|0.073486|3.466930|4.313690|0.104694|6.137018|11.359973|3.536068|3.693391|5.900465|6.915173|2.857928|4.362378|5.182340|2.782899|2.470395|2.181735|2.126578|2.315866|2.664670|2.103092|2.073953|1.842536|1.689949|1.701724|1.881555|2.573262|1.710432|1.723179|0.168456|0.203322|0.140069|0.173451|0.211726|0.500000| |6.859782|8.843416|17.526266|8.889813|9.535635|6.142483|10.773356|4.590550|0.136335|3.422649|0.092016|4.127461|0.084498|0.072901|3.220368|4.042576|0.100219|5.108910|8.240141|3.145862|3.391737|5.811194|6.099023|2.639582|4.143067|4.640442|2.978273|2.548351|2.264945|2.270818|2.559681|2.982672|2.355549|2.382289|2.093951|1.876896|1.859130|2.055512|2.748592|1.792523|1.785757|0.203473|0.169052|0.140183|0.211461|0.173578|0.302759|0.500000| |4.519798|6.816922|8.816328|17.611786|12.633456|7.283736|13.198755|4.728678|0.119991|3.571476|0.090594|4.166608|0.080087|0.075230|3.304464|4.470843|0.123199|5.747184|8.870709|2.959701|2.907892|5.014342|4.964691|2.848678|4.427714|5.152225|3.399059|2.959470|2.693111|2.739725|3.081092|3.485012|2.833254|2.809289|2.448400|2.209889|2.215266|2.476476|3.313925|2.143970|2.195072|0.119472|0.111035|0.108156|0.205501|0.169688|0.173869|0.212735|0.500000| |4.531061|6.854212|8.832243|17.614504|12.634796|5.769289|8.882471|4.420158|0.114366|3.327812|0.082541|4.166394|0.079949|0.075607|3.557323|4.817887|0.131082|7.292813|13.146605|3.266100|3.081325|5.054756|5.361777|3.118079|4.683905|5.907931|3.104653|2.829420|2.548866|2.489987|2.672854|2.994152|2.416643|2.332975|2.067104|1.918033|1.958887|2.183856|3.012547|2.003710|2.078455|0.111222|0.119597|0.108493|0.170995|0.206718|0.212482|0.173877|0.301471|0.500000| |2.079046|2.241531|2.696868|2.844647|4.767729|3.450442|5.119505|4.530310|0.133802|4.496194|0.112355|9.064231|0.200053|0.172950|8.929527|5.442363|0.126093|4.433813|7.571516|17.512151|8.953029|12.128377|11.778269|7.393435|11.364388|10.521755|3.577647|3.521918|2.835309|2.455083|2.469251|2.884105|2.085476|1.913893|1.683653|1.602066|1.694353|1.932744|2.844694|1.941960|1.876091|0.057096|0.060537|0.051927|0.057740|0.061260|0.082129|0.074160|0.070667|0.077227|0.500000| |2.481713|2.723146|3.374441|3.567226|6.071921|4.022970|5.737770|5.059728|0.150722|4.324038|0.105263|7.560876|0.156621|0.133686|8.912843|6.789537|0.146297|6.338284|11.718039|17.645177|8.769814|10.404194|13.538437|6.633085|8.844035|11.334819|3.455048|3.313656|2.709207|2.395504|2.443827|2.858635|2.082510|1.929365|1.697865|1.607096|1.688170|1.918091|2.790940|1.896995|1.870693|0.066918|0.073295|0.061076|0.068426|0.075208|0.107132|0.089797|0.084703|0.098454|0.303331|0.500000| |1.848032|2.083321|2.451551|2.859932|4.878391|3.990459|6.227887|5.052733|0.115754|6.764511|0.145878|9.846639|0.145620|0.251287|6.163717|5.560268|0.182824|3.938033|5.973071|4.212029|3.495797|6.551383|5.133762|7.187338|15.106797|9.825385|8.840402|17.735337|9.027894|5.697324|4.966018|5.630013|3.624409|2.961293|2.494113|2.426673|2.741531|3.415417|5.633727|3.687996|3.373895|0.051077|0.051032|0.047030|0.056824|0.056742|0.068004|0.068109|0.077294|0.076877|0.113496|0.102768|0.500000| |1.617462|1.819537|2.057906|2.396204|3.806155|3.065952|5.161531|3.383157|0.080371|4.048890|0.098477|5.227239|0.089106|0.119313|3.517873|3.525896|0.115844|2.884319|4.555473|2.763156|2.434708|4.527030|3.779147|3.973159|7.813157|6.455059|5.611928|8.949327|17.734653|8.827714|5.590479|4.914328|4.289517|3.274779|2.834783|2.922951|3.558587|4.597202|9.107410|6.515184|5.523769|0.044663|0.044100|0.041909|0.050731|0.049899|0.055869|0.057014|0.067334|0.065301|0.075201|0.071258|0.219404|0.500000| |2.246635|2.552007|3.043711|3.504266|5.806185|6.062682|12.414995|6.026860|0.138871|7.196643|0.207131|6.280230|0.115467|0.116178|3.784007|4.409323|0.126300|3.704312|5.355654|3.073713|3.085974|6.193409|4.762667|3.246762|5.640467|5.152673|8.905594|5.633067|4.912841|5.621769|8.912977|17.717900|6.504405|5.889369|4.128557|3.462225|3.553130|4.529738|5.879153|3.286195|2.937090|0.064732|0.059538|0.056540|0.072825|0.065663|0.078478|0.091665|0.103511|0.085238|0.077005|0.077526|0.123671|0.106872|0.500000| |1.977988|2.207568|2.447610|2.727255|4.012057|3.619934|7.760798|3.300889|0.082840|3.519040|0.101141|3.768385|0.072180|0.073352|2.460315|2.773310|0.080562|2.561901|3.953401|2.131214|2.147699|4.161996|3.480394|2.253531|3.961647|3.744983|4.117528|3.458046|3.553612|4.522375|6.483076|5.876482|8.889206|17.711602|8.908235|5.626961|4.897392|5.612609|5.871901|3.282209|2.934493|0.057301|0.051441|0.051273|0.065358|0.057057|0.061997|0.073108|0.084288|0.068242|0.054915|0.055692|0.080730|0.083634|0.191015|0.500000| |1.672012|1.834063|1.949396|2.129424|3.004705|2.523977|5.138607|2.331529|0.059942|2.440096|0.069124|2.805361|0.054301|0.055801|1.890130|2.078318|0.060569|1.972208|3.152939|1.680046|1.681759|3.196201|2.779315|1.789394|3.169266|3.034580|2.781222|2.545814|2.731331|3.385387|4.032550|3.479123|5.657585|8.928753|17.717311|8.894211|5.621084|4.963667|4.983708|3.030696|2.769748|0.048111|0.043471|0.044339|0.054670|0.048152|0.049774|0.057078|0.065442|0.054958|0.044023|0.044574|0.061842|0.068176|0.101893|0.214713|0.500000| |1.446580|1.587438|1.675726|1.847799|2.613963|2.129785|4.143315|2.019280|0.051596|2.138235|0.059207|2.542013|0.048688|0.051708|1.734776|1.874422|0.055606|1.768125|2.867436|1.537336|1.507041|2.831282|2.489699|1.697941|3.043822|2.906430|2.489564|2.423949|2.739413|3.410508|3.621589|2.962287|4.962197|5.641277|8.905825|17.703670|8.965119|5.681818|5.622102|3.672751|3.357942|0.040982|0.038008|0.038633|0.046791|0.042518|0.043410|0.047979|0.055882|0.048942|0.040814|0.040978|0.059514|0.070989|0.080872|0.124013|0.215490|0.500000| |1.414948|1.566730|1.676180|1.883912|2.724695|2.204917|4.149888|2.147178|0.053908|2.327444|0.062889|2.803918|0.052626|0.058252|1.914938|2.046380|0.062182|1.887582|3.057387|1.664159|1.593504|2.981191|2.603467|1.929824|3.509068|3.302933|2.829365|2.923345|3.564139|4.602947|4.288608|3.275706|5.579577|4.898608|5.610863|8.911130|17.726367|8.826380|9.140086|6.535259|5.526882|0.039654|0.037556|0.037591|0.045545|0.042451|0.043913|0.047350|0.056146|0.050579|0.044517|0.044229|0.071166|0.095015|0.083685|0.106593|0.123876|0.216021|0.500000| |1.423467|1.583404|1.740998|1.986450|3.011228|2.411398|4.252890|2.520533|0.062012|2.884475|0.074668|3.649606|0.065916|0.080169|2.476277|2.528201|0.079416|2.205602|3.562167|2.073852|1.901479|3.543626|3.033214|2.669546|5.101617|4.493885|3.711531|4.561631|6.768598|7.140000|4.776468|3.773849|4.435386|3.399983|3.143461|3.522694|4.692364|5.737244|12.611831|17.594735|8.833943|0.039475|0.038515|0.037370|0.044783|0.043393|0.046771|0.048504|0.057010|0.054146|0.056617|0.054376|0.112769|0.225927|0.087711|0.082336|0.074213|0.086183|0.136222|0.500000| |1.373334|1.521773|1.649855|1.866436|2.764973|2.219303|4.024987|2.248057|0.055973|2.509374|0.066494|3.110537|0.057397|0.066573|2.117857|2.203920|0.068039|1.977776|3.208290|1.812818|1.698018|3.169774|2.743277|2.212415|4.129650|3.763209|3.135509|3.520223|4.691858|5.735463|4.432366|3.400920|4.766535|3.764475|3.715009|4.557084|6.757800|7.119815|12.600348|17.584004|8.826093|0.038238|0.036885|0.036289|0.043521|0.041558|0.043893|0.046207|0.054397|0.050641|0.049136|0.047879|0.086463|0.135879|0.082379|0.087514|0.086056|0.112057|0.226568|0.305150|0.500000| |1.500798|1.694081|1.817648|2.107893|3.059414|2.391419|4.337737|2.327523|0.057205|2.466296|0.063644|3.039375|0.055683|0.063558|2.161817|2.339754|0.074026|2.164461|3.533558|1.840814|1.703672|3.113869|2.776966|2.264028|4.061444|3.987884|3.039895|3.364053|4.301261|5.076190|4.152073|3.284367|4.427760|3.617312|3.569615|4.247540|5.746683|5.975338|9.384770|8.795887|17.562796|0.041311|0.040031|0.039832|0.048883|0.046801|0.047857|0.050063|0.062367|0.058166|0.049149|0.049607|0.083374|0.122756|0.080604|0.085512|0.084018|0.105923|0.178333|0.173004|0.210416|0.500000| |1.567332|1.780876|1.942748|2.287030|3.407153|2.639537|4.629206|2.637887|0.063778|2.824395|0.070792|3.543360|0.063466|0.075233|2.552891|2.744849|0.089643|2.477770|4.030125|2.119888|1.912168|3.470766|3.082828|2.769400|4.989508|4.905769|3.563076|4.250737|5.756921|5.986368|4.433564|3.620331|4.154709|3.286335|3.048492|3.365816|4.299552|5.076622|9.388944|8.800437|17.572985|0.042892|0.042156|0.041282|0.050695|0.049486|0.051696|0.053046|0.066419|0.063711|0.056745|0.057048|0.106552|0.178548|0.085627|0.080593|0.072774|0.083098|0.122841|0.210782|0.172973|0.301480|0.500000| 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