Version2.2 2021-02-28T06:25:05Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 25-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[NH+](C1)CC(=O)NCC2CCC2 C66497132 RHF 6-31G(d) (6D,7F) CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[NH+](C1)CC(=O)NCC2CCC2 C01[X(C20H37N4O4)] 189 C1 494 O=C(C[NH+]1CCC[C@H](C1)C(=O)NCCNC(=O)OC(C)(C)C)NCC1CCC1 O=C(C[NH+]1CCC[C@H](C1)C(=O)NCCNC(=O)OC(C)(C)C)NCC1CCC1 CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[NH+](C1)CC(=O)NCC2CCC2 InChIKey=ORFXAEMTNKYSOE-MRXNPFEDSA-O InChI=1S/C20H36N4O4/c1-20(2,3)28-19(27)22-10-9-21-18(26)16-8-5-11-24(13-16)14-17(25)23-12-15-6-4-7-15/h15-16H,4-14H2,1-3H3,(H,21,26)(H,22,27)(H,23,25)/p+1/t16-/m1/s1 InChI=1/C20H36N4O4/c1-20(2,3)28-19(27)22-10-9-21-18(26)16-8-5-11-24(13-16)14-17(25)23-12-15-6-4-7-15/h15-16H,4-14H2,1-3H3,(H,21,26)(H,22,27)(H,23,25)/p+1/t16-/m1/s1/fC20H37N4O4/h21-24H/q+1 CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[NH+](C1)CC(=O)NCC2CCC2 C01[X(C20H37N4O4)] 189 C01 494 O=C(C[NH+]1CCC[C@H](C1)C(=O)NCCNC(=O)OC(C)(C)C)NCC1CCC1 O=C(OC(C)(C)C)NCC[NH][C](=O)[C@@H]1CCC[NH](C1)C[C]([NH]CC1CCC1)=O CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[NH](C1)CC(=O)NCC2CCC2 InChIKey=DSOUGCNJHVKJKB-MRXNPFEDSA-N InChI=1S/C20H37N4O4/c1-20(2,3)28-19(27)22-10-9-21-18(26)16-8-5-11-24(13-16)14-17(25)23-12-15-6-4-7-15/h15-16,24H,4-14H2,1-3H3,(H,21,26)(H,22,27)(H,23,25)/t16-/m1/s1 InChI=1/C20H37N4O4/c1-20(2,3)28-19(27)22-10-9-21-18(26)16-8-5-11-24(13-16)14-17(25)23-12-15-6-4-7-15/h15-16,24H,4-14H2,1-3H3,(H,21,26)(H,22,27)(H,23,25)/t16-/m1/s1/f/h21-23H 2553.6275544994 -1296.0214503 1-A 31733.9863 108 386 494 |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| -20.67456 -20.65150 -20.63195 -20.58405 -15.83813 -15.72290 -15.69077 -15.64865 -11.50057 -11.45997 -11.45581 -11.44808 -11.43212 -11.42770 -11.38408 -11.37319 -11.36755 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0.8804 2.9889 13.4166 0.0700 0.3263 1.9079 26.8653 3.7850 26.5185 17.6773 0.4890 13.1595 43.0906 3.7090 61.6582 21.2250 9.5236 0.9679 8.4793 59.5360 67.7524 31.0717 67.2953 5.8649 12.0826 5.5523 1.6994 3.9405 1.0019 0.6660 5.9606 9.4377 4.8118 1.1079 2.1606 11.6670 4.5640 46.7210 5.0571 2.9810 0.3541 40.9383 2.7683 1.9447 4.7993 0.1882 5.6638 0.4230 46.8360 8.4113 10.4162 20.6256 0.2013 16.0232 16.8756 4.7325 8.8261 1.7675 3.0533 3.6575 1.2937 7.7242 3.5809 4.3787 30.5485 31.5080 12.7771 13.2663 7.0382 14.3392 2.4010 37.3313 92.3235 3.8136 361.2740 79.4751 0.6279 95.4046 130.2411 4.5363 14.1747 14.3450 6.3712 67.2900 24.1978 61.2120 7.0376 343.2606 0.8928 16.5755 25.1704 126.4062 22.0339 21.4124 21.4063 7.2581 5.5420 1.9613 5.6106 13.7647 11.9451 9.5325 32.7769 53.5110 14.1009 74.3696 0.3194 71.5786 35.8447 1.5154 2.6322 6.6818 0.4375 0.5527 4.6113 21.1119 74.2519 10.7352 0.9177 7.5727 14.5258 9.5030 5.1402 2.4434 713.4246 469.1662 268.0932 406.3512 104.1417 481.9531 11.3723 44.1910 9.8266 30.8141 9.9577 10.1718 44.1955 28.1859 12.7999 17.3482 34.3172 30.3430 36.9204 47.7290 1.8047 4.1574 8.5459 20.3959 13.1128 25.1312 18.7252 4.1683 40.8839 57.7220 22.5915 16.4529 55.1909 1.4031 0.9305 23.8217 5.3744 0.3512 4.6094 122.6072 60.5261 32.4333 65.1180 0.1802 0.1155 0.0812 0.1216 0.2775 0.1241 0.3769 0.0571 0.1816 0.4400 0.3701 0.9011 0.1372 0.4089 0.1613 0.9573 0.3071 0.3826 0.1973 2.0643 0.0109 0.1700 0.5963 0.8446 0.2946 0.1732 0.0103 0.7037 0.5178 0.2599 2.3610 0.5830 0.0999 0.4603 0.7624 0.3647 0.9118 1.4232 0.6748 0.7879 0.2770 0.9815 0.6223 1.5049 0.6373 2.9777 2.1431 1.3487 0.4117 2.3076 3.4280 2.1121 0.8255 13.4067 0.7172 4.1815 2.7675 4.5710 2.3207 0.1240 0.7994 2.6824 2.7903 9.7684 3.5757 2.2036 1.9147 7.1791 13.6038 7.4738 5.6834 8.0537 7.0022 9.7343 0.0227 7.0289 3.2998 9.3252 3.5476 10.9104 6.0149 8.8276 7.2191 2.0977 6.8549 6.0094 15.2244 3.1178 10.5685 2.4847 1.5763 2.5972 1.4698 2.8566 2.9640 7.5159 1.5349 10.4596 10.2957 7.6479 2.3830 4.7827 1.9831 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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 2846.6458 54314.6804 55365.2461 1.00000 -0.00013 0.00017 0.00013 0.99996 -0.00868 -0.00017 0.00868 0.99996 1 0.03043 0.00159 0.00156 0.63399 0.03323 0.03260 9.46 10.46 18.30 28.17 36.83 46.45 51.75 73.88 76.65 90.46 117.66 124.11 147.19 173.70 179.25 195.10 230.58 249.99 272.67 305.97 331.59 337.45 359.22 380.98 397.31 400.55 436.36 441.64 460.43 480.87 508.00 518.89 536.51 545.00 552.11 620.21 636.81 640.60 658.15 685.64 711.89 728.22 733.65 753.35 762.88 800.41 890.33 916.26 955.36 978.52 1094.52 1120.56 1130.42 1181.31 1192.80 1203.84 1231.50 1245.81 1254.82 1268.55 1337.35 1374.17 1376.17 1402.39 1416.78 1424.86 1442.23 1456.10 1456.13 1459.27 1478.32 1504.51 1506.10 1520.56 1529.32 1541.74 1546.29 1566.44 1598.59 1618.00 1643.84 1657.52 1664.36 1672.07 1674.85 1708.72 1736.07 1748.39 1760.21 1794.22 1819.05 1830.89 1837.89 1845.10 1906.08 1913.12 1917.74 1939.77 1941.79 1973.48 1982.14 2002.05 2008.14 2008.27 2024.12 2026.52 2028.53 2033.92 2047.50 2067.25 2076.21 2082.85 2100.43 2114.82 2121.93 2133.98 2153.47 2171.51 2199.05 2212.42 2231.62 2243.99 2246.30 2247.14 2262.80 2271.63 2281.48 2286.90 2329.66 2332.32 2343.66 2344.24 2349.36 2351.22 2352.77 2354.26 2354.54 2361.42 2363.80 2365.09 2376.13 2381.63 2382.01 2387.08 2400.08 2403.48 2447.08 2488.23 2494.76 2778.45 2796.96 2815.59 4603.42 4622.89 4626.55 4627.77 4628.53 4629.56 4641.25 4642.02 4644.46 4645.59 4654.09 4659.47 4670.82 4695.83 4700.30 4708.50 4711.44 4714.90 4721.88 4729.40 4729.97 4734.82 4735.06 4738.41 4739.84 4753.72 4756.90 4790.03 4795.42 4795.95 4807.96 4833.18 4833.59 5185.97 5548.57 5562.20 5614.31 0.622782 0.652222 0.653166 0.554308 -1295.398669 -1295.369228 -1295.368284 -1295.467143 3.315747D-04 MUNgauss RevisionA2.1 retrievium 28-Feb-2021 DUDE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[NH+](C1)CC(=O)NCC2CCC2 C66497132 RHF 6-31G(d) (6D,10F) C1 397.281481 |X|Y|Z| 26.006511 35.778707 172.561323 54.352151 14 6 7 12 2 |36.858105| |12.482614|36.858105| |7.513033|12.482908|36.858105| |7.592173|12.493026|7.592349|36.858105| |7.796068|13.094631|7.796498|8.191650|73.516695| |6.322930|7.808900|6.315553|5.282825|25.705970|36.858105| |6.253173|6.701568|6.252552|4.464212|15.056083|15.901407|73.516695| |4.520317|5.307315|4.507380|4.268854|15.426995|14.037850|15.079319|53.358707| |3.575287|3.919405|3.596262|3.248544|9.525379|7.813334|12.244231|17.998221|36.858105| |3.402924|3.444297|3.093859|2.890424|7.808744|5.936270|10.303872|10.545240|12.463068|36.858105| |2.751780|2.771779|2.593856|2.383749|5.939001|4.233848|7.724023|6.940312|7.745566|13.069068|53.358707| |2.575921|2.521360|2.395581|2.166913|5.175261|3.596921|6.895253|5.417311|5.313389|7.725744|19.328612|36.858105| |2.754234|2.609670|2.470542|2.214934|5.236013|3.624997|7.211904|5.161049|4.697256|6.705582|11.499546|15.859778|73.516695| |2.145242|2.121320|2.054623|1.863320|4.264743|2.856340|5.403381|4.267301|4.015546|4.981468|10.651905|12.439610|14.316522|36.858105| |2.022204|2.019198|1.942335|1.800220|4.087551|2.698658|4.961944|4.129332|3.874177|4.725402|9.999525|8.827938|10.676538|17.503970|0.500000| |2.067340|2.077274|2.067561|1.818854|4.139470|2.771887|5.319270|4.076069|3.821824|4.249919|8.158928|7.546214|10.407511|12.382431|0.245526|36.858105| |1.775698|1.783142|1.784403|1.589085|3.493583|2.271355|4.301204|3.305556|2.956328|3.202644|5.665733|4.915442|7.452573|7.549927|0.188796|12.465508|36.858105| |1.689613|1.668054|1.661190|1.491620|3.221401|2.070271|3.940376|2.960671|2.571813|2.856954|4.880748|4.421426|7.236078|6.478783|0.157703|7.560412|12.521481|36.858105| |1.730320|1.690798|1.655097|1.516159|3.280984|2.106057|3.975343|3.035256|2.633507|3.053068|5.296922|4.994322|8.202778|7.625928|0.190700|6.507725|7.673043|12.666221|53.358707| |1.659623|1.633594|1.592714|1.477120|3.187506|2.034060|3.782897|2.971037|2.580735|2.972049|5.176800|4.625413|7.294735|7.036270|0.206094|5.895853|7.188397|9.370087|25.556281|0.500000| |1.989994|1.927656|1.866172|1.705723|3.780735|2.472948|4.711492|3.576876|3.166395|3.885965|7.078828|7.733064|12.719211|12.468627|0.246633|7.536529|6.507795|7.650146|17.276945|0.254875|36.858105| |1.604132|1.551247|1.516630|1.401320|2.967283|1.875174|3.536231|2.662900|2.242845|2.580935|4.233478|3.847160|6.768509|4.967561|0.128415|4.388588|4.995538|7.688399|17.451551|0.266064|7.655605|36.858105| |1.435810|1.399796|1.370322|1.279553|2.673578|1.669447|3.107337|2.384039|1.989279|2.239597|3.615181|3.107859|5.329026|3.927104|0.109043|3.616717|4.325135|6.028947|10.648379|0.227855|5.111714|12.428827|36.858105| |1.417443|1.394474|1.364184|1.279316|2.682556|1.675198|3.091189|2.420361|2.034341|2.273499|3.712291|3.118163|5.167287|4.037217|0.118137|3.741558|4.621629|5.934757|10.030168|0.263103|4.868526|8.099703|15.790559|73.516695| |1.334369|1.295987|1.270935|1.190836|2.452119|1.516528|2.821591|2.145916|1.762056|1.964095|3.085246|2.606979|4.571055|3.124944|0.086011|2.935866|3.408569|4.493888|7.114093|0.145276|3.919404|7.841635|14.381110|15.020907|53.358707| |1.217380|1.187981|1.165656|1.100755|2.243156|1.375364|2.538591|1.949784|1.587675|1.746363|2.706742|2.224734|3.868221|2.613907|0.073530|2.490204|2.878318|3.536141|5.309742|0.113350|3.092262|4.981185|7.763372|11.918302|17.669092|36.858105| |1.143378|1.112964|1.096362|1.033736|2.084025|1.270209|2.349953|1.784719|1.438088|1.568177|2.390974|1.953275|3.445017|2.236803|0.061992|2.166664|2.464304|2.976332|4.290464|0.088387|2.609044|3.933972|5.162692|7.943715|10.585916|12.557107|36.858105| |1.050467|1.025529|1.010177|0.958945|1.916037|1.159677|2.133011|1.630164|1.303930|1.409676|2.126434|1.708096|3.001856|1.926833|0.053928|1.873573|2.105897|2.444593|3.482871|0.072746|2.183634|3.021722|3.780701|6.268854|6.686834|7.269494|12.327443|36.858105| |1.037748|1.007189|0.991464|0.942060|1.871257|1.129238|2.082282|1.576914|1.252856|1.357267|2.027891|1.633137|2.909522|1.811902|0.050161|1.753185|1.933094|2.245127|3.216752|0.065837|2.067069|2.821364|3.329203|5.347520|5.857345|5.431391|8.834354|12.341211|36.858105| |1.131345|1.093454|1.073760|1.017131|2.036615|1.236119|2.288778|1.726529|1.379334|1.510620|2.274736|1.859096|3.331373|2.078908|0.057152|1.986654|2.191808|2.618754|3.846325|0.077815|2.439645|3.551700|4.238954|6.416951|8.157911|7.193778|12.284809|8.829952|12.337794|36.858105| |17.637011|8.778350|6.882377|5.506205|12.199836|6.668016|13.635769|6.307772|3.817176|3.711221|4.085524|2.855983|5.548715|2.343392|0.060445|2.261578|1.921002|1.831949|2.549471|0.049468|2.176974|1.731453|1.533324|2.677951|1.934197|1.287268|1.208005|1.103741|1.091125|1.195018|0.500000| |17.555723|8.829726|5.485609|6.939492|12.781448|5.877052|9.728453|6.159342|3.563689|3.508396|3.808779|2.604059|4.950687|2.155835|0.056884|2.038904|1.753823|1.676205|2.365616|0.046503|2.007719|1.616016|1.448370|2.543920|1.831797|1.228932|1.151435|1.058862|1.046590|1.142201|0.300301|0.500000| |17.559770|8.879006|6.783064|6.968170|10.041310|4.716156|8.486611|4.920742|2.981381|2.859591|3.255986|2.275151|4.328829|1.934110|0.050728|1.876417|1.634873|1.567153|2.176649|0.042593|1.817706|1.496817|1.346333|2.356516|1.714896|1.153701|1.089957|1.004514|0.995741|1.082053|0.301031|0.301420|0.500000| |6.782526|8.878768|17.559583|6.968398|10.041484|4.712861|8.485799|4.911281|2.994015|2.661205|3.105870|2.142895|3.954686|1.864106|0.049007|1.876567|1.641942|1.543402|2.091666|0.041053|1.718007|1.422049|1.289650|2.275276|1.638645|1.107557|1.047301|0.967637|0.952945|1.029276|0.168430|0.139245|0.199929|0.500000| |5.485725|8.830121|17.556789|6.939290|12.783515|5.867679|9.728315|6.130036|3.599334|2.989529|3.449034|2.310627|4.154428|2.006838|0.053147|2.039362|1.768163|1.630066|2.197682|0.043409|1.805815|1.472851|1.339887|2.385475|1.689104|1.142802|1.073568|0.991773|0.969883|1.047074|0.140938|0.123298|0.139251|0.301418|0.500000| |6.882997|8.779226|17.637604|5.506486|12.201112|6.659650|13.634577|6.288804|3.843077|3.316785|3.808486|2.613724|4.838729|2.225601|0.057680|2.261884|1.932158|1.795531|2.419818|0.047171|2.016300|1.621865|1.453580|2.564062|1.829929|1.225997|1.152430|1.056840|1.037198|1.127115|0.206608|0.140941|0.168455|0.301010|0.300333|0.500000| |6.963787|8.819293|5.512611|17.573910|13.228036|4.982956|7.346156|5.780571|3.223864|2.940747|3.272795|2.176121|3.952661|1.864614|0.050355|1.794219|1.569330|1.478846|2.065627|0.041213|1.712215|1.406103|1.285737|2.287057|1.628782|1.107276|1.037953|0.963813|0.947255|1.023381|0.141557|0.209629|0.173304|0.141542|0.141833|0.123106|0.500000| |5.512641|8.819648|6.963805|17.574367|13.229697|4.980757|7.346235|5.770794|3.234643|2.793054|3.169316|2.096634|3.752223|1.822124|0.049219|1.794362|1.573516|1.465500|2.016276|0.040268|1.654996|1.363658|1.252138|2.236804|1.584233|1.079555|1.012920|0.941720|0.922153|0.992840|0.123103|0.141840|0.141540|0.173306|0.209614|0.141561|0.300942|0.500000| |6.876351|8.844429|6.877100|17.572156|10.281968|4.227107|6.779493|4.735772|2.781643|2.529375|2.905877|1.974791|3.614838|1.717488|0.045991|1.683374|1.484797|1.403936|1.937677|0.038450|1.590678|1.325979|1.213350|2.149504|1.545458|1.051680|0.992517|0.922536|0.909129|0.979463|0.140788|0.169679|0.207490|0.207521|0.169689|0.140801|0.300789|0.300805|0.500000| |4.189676|5.069466|4.205154|4.432925|14.691468|9.428654|10.900948|26.100523|8.962300|6.113787|5.933071|3.446619|5.794527|2.813992|0.077299|2.681361|2.227853|2.002748|2.802505|0.056558|2.387374|1.820696|1.650712|2.994116|2.031122|1.366931|1.252495|1.150862|1.112354|1.212238|0.113527|0.119488|0.095058|0.095302|0.120287|0.113933|0.126044|0.126432|0.098595|0.500000| |3.481323|3.827224|3.729500|3.106736|8.823697|7.293366|13.244504|12.516886|17.610914|8.882532|9.654714|5.340784|8.477991|4.135368|0.107140|4.198788|3.178039|2.718518|3.684836|0.072750|3.233292|2.288275|2.017343|3.654003|2.430723|1.602778|1.456530|1.316298|1.264255|1.392118|0.105822|0.093054|0.081692|0.085911|0.104154|0.115164|0.083302|0.086209|0.075109|0.183745|0.500000| |3.063268|3.402075|3.160175|2.961371|8.041056|5.815149|8.990291|12.638918|17.553038|8.816509|9.526928|4.762021|7.193650|3.868756|0.108520|3.715867|2.942232|2.517930|3.499382|0.071339|3.017270|2.179486|1.966218|3.624959|2.364564|1.578608|1.424008|1.297355|1.239020|1.357927|0.088502|0.085457|0.072695|0.074427|0.090241|0.091577|0.082214|0.083874|0.070896|0.230138|0.302006|0.500000| |3.301919|3.316929|2.889895|2.878344|7.524300|5.296745|8.627234|9.567882|8.826418|17.560994|12.390424|6.150696|9.808298|4.339129|0.120124|3.616503|2.860663|2.603336|3.863588|0.078051|3.548012|2.447919|2.155438|3.904171|2.588398|1.704885|1.529607|1.383121|1.333131|1.480370|0.097054|0.097923|0.077390|0.069865|0.077678|0.083672|0.083578|0.077077|0.069740|0.171993|0.173820|0.211092|0.500000| |3.839668|3.709377|3.311298|3.012797|8.162576|6.352186|12.176712|9.539441|8.872986|17.682629|12.601993|7.527861|13.996899|4.714976|0.118048|4.058219|3.076913|2.825184|4.110379|0.079788|3.902038|2.599848|2.219942|3.935771|2.671951|1.733328|1.568353|1.404747|1.363161|1.522896|0.121239|0.109602|0.088449|0.079194|0.086226|0.100694|0.084707|0.078968|0.073765|0.150135|0.213947|0.173709|0.301652|0.500000| |2.487127|2.552496|2.407778|2.241920|5.462599|3.777570|6.685323|6.345305|6.976637|9.006070|26.048436|9.449528|10.864729|7.514424|0.228509|6.027548|4.327140|3.586455|5.241412|0.108508|4.851943|3.038500|2.666931|4.987713|3.077611|2.005074|1.758727|1.571841|1.485814|1.657603|0.073991|0.070200|0.060689|0.059114|0.066423|0.071277|0.062855|0.061682|0.055851|0.115764|0.176607|0.204564|0.209454|0.179556|0.500000| |2.177742|2.170838|2.186210|1.875967|4.274799|2.883872|5.706720|4.111558|3.785372|4.164517|7.452835|7.103119|11.102127|8.846041|0.173888|17.539381|8.830968|6.781701|7.728608|0.135201|6.764618|4.150603|3.341849|5.915756|3.800988|2.358226|2.093993|1.808316|1.713225|1.942998|0.067113|0.059033|0.054981|0.055164|0.059407|0.067438|0.051023|0.051122|0.048419|0.074067|0.119366|0.098519|0.096625|0.116080|0.142204|0.500000| |2.116559|2.169053|2.168454|1.900067|4.386293|2.959309|5.600308|4.452770|4.313704|4.526443|8.682997|6.785873|9.108230|8.805451|0.215513|17.591564|8.846988|5.513218|6.651948|0.131377|5.498807|3.559137|3.085851|5.786628|3.490327|2.236796|1.962703|1.726277|1.613509|1.803230|0.063870|0.057773|0.053099|0.054201|0.060147|0.065751|0.051881|0.052558|0.048523|0.081358|0.134618|0.120043|0.105429|0.115083|0.191841|0.303550|0.500000| |1.716979|1.735155|1.760160|1.547942|3.372605|2.179860|4.143868|3.137366|2.765496|2.892412|4.897135|4.078816|6.408461|5.492505|0.139187|8.810651|17.578359|8.975886|7.610037|0.145805|4.883549|4.149582|3.729588|6.986139|4.190493|2.660849|2.335067|2.016216|1.853490|2.073729|0.051540|0.046725|0.044148|0.045136|0.048683|0.053079|0.042182|0.042748|0.040331|0.058866|0.083998|0.076523|0.071657|0.077753|0.103388|0.214763|0.210388|0.500000| |1.688899|1.706556|1.697137|1.536931|3.361216|2.166103|4.026347|3.200817|2.857617|3.076899|5.439973|4.471828|6.634301|6.739363|0.198095|8.799289|17.526828|8.887120|9.375671|0.210767|5.681626|4.646360|4.350551|8.895849|4.616159|2.942931|2.474166|2.138389|1.934404|2.174820|0.050249|0.046610|0.043210|0.043396|0.046993|0.050534|0.042355|0.042473|0.039823|0.060737|0.083569|0.081045|0.077975|0.080245|0.120822|0.173079|0.214657|0.303850|0.500000| |1.737190|1.702319|1.706251|1.512131|3.256715|2.095916|4.050053|2.945484|2.532148|2.805802|4.672367|4.299543|7.437577|5.751299|0.132564|6.815735|8.792716|17.603059|12.415044|0.182298|7.021399|7.030646|5.185315|8.441780|5.686746|3.272592|2.865094|2.348902|2.204007|2.579264|0.052741|0.047600|0.044893|0.044168|0.046229|0.051614|0.041473|0.041090|0.039687|0.054962|0.075232|0.067663|0.070375|0.078957|0.092519|0.199643|0.139497|0.214091|0.173341|0.500000| |1.542204|1.526164|1.523071|1.377630|2.929489|1.858761|3.508085|2.653740|2.268358|2.479417|4.117820|3.568369|5.904100|4.871175|0.127549|5.494538|8.791197|17.646572|12.389189|0.227391|5.605988|7.259068|6.835739|12.290066|6.938378|4.044324|3.356291|2.720594|2.444037|2.842079|0.046113|0.042529|0.039990|0.039538|0.041661|0.045446|0.037961|0.037703|0.036164|0.050393|0.066153|0.062326|0.063758|0.067845|0.085224|0.138943|0.123328|0.212361|0.215618|0.299873|0.500000| |1.974799|1.897422|1.811550|1.691874|3.722050|2.409720|4.528853|3.499750|3.044782|3.830791|6.744318|6.941122|11.923831|8.791541|0.215616|5.485820|4.893079|5.600422|12.383908|0.221248|17.635833|7.186735|5.026701|8.462871|5.346489|3.121818|2.616200|2.200679|2.096156|2.489180|0.059633|0.056038|0.050120|0.046452|0.048544|0.053883|0.047606|0.045425|0.043825|0.065523|0.083900|0.080837|0.101113|0.106836|0.128211|0.138712|0.123153|0.107706|0.127852|0.143945|0.126789|0.500000| |2.071575|1.983065|1.931985|1.738281|3.842445|2.519914|4.907539|3.554607|3.096876|3.768293|6.497807|7.153840|13.991644|8.820736|0.173789|6.768405|5.726122|6.961080|12.353007|0.179917|17.661298|6.981542|4.556924|7.358709|5.033954|2.907760|2.530043|2.112609|2.033262|2.405699|0.063734|0.057666|0.052709|0.049559|0.051488|0.058535|0.048231|0.046563|0.045235|0.065269|0.089395|0.080048|0.094038|0.109939|0.118740|0.197984|0.138857|0.128390|0.131957|0.210567|0.143247|0.302018|0.500000| |1.647753|1.579429|1.529425|1.428292|3.020206|1.903976|3.580710|2.701311|2.258460|2.649617|4.293394|3.919898|7.089624|4.779327|0.124444|3.960000|4.171089|5.648918|12.345175|0.211115|7.560964|17.608383|8.869450|11.467864|9.186261|4.560693|3.679780|2.885883|2.760436|3.504563|0.049394|0.046453|0.042671|0.039863|0.041057|0.045297|0.040028|0.038424|0.037534|0.051365|0.063181|0.060610|0.070762|0.074741|0.084413|0.105016|0.091156|0.097352|0.109529|0.149742|0.144321|0.234769|0.193657|0.500000| |1.595801|1.537423|1.514793|1.384212|2.914245|1.839232|3.503560|2.576958|2.152388|2.446290|3.935367|3.570482|6.483902|4.416403|0.110155|4.159637|4.719386|7.436195|12.302907|0.185374|6.432125|17.632318|8.678122|10.722384|9.644784|4.608228|3.917119|2.979812|2.844622|3.595190|0.048070|0.044381|0.041555|0.039608|0.040748|0.045211|0.038403|0.037351|0.036542|0.048765|0.061707|0.057597|0.063854|0.069470|0.077482|0.115201|0.093780|0.114322|0.116523|0.222971|0.197312|0.159845|0.188041|0.301264|0.500000| |1.345846|1.298736|1.274138|1.191217|2.443542|1.509282|2.822286|2.118440|1.728594|1.931531|3.001897|2.554331|4.577405|2.990326|0.080574|2.806407|3.172207|4.181139|6.560809|0.126920|3.806335|7.497752|9.481231|10.845056|26.018235|8.981562|7.436638|4.681991|4.464436|6.693105|0.039923|0.037685|0.035393|0.033619|0.034417|0.037502|0.033236|0.032230|0.031636|0.040822|0.048745|0.046962|0.051879|0.054223|0.060345|0.075813|0.067922|0.080385|0.085496|0.113690|0.126785|0.106463|0.103711|0.191588|0.212295|0.500000| |1.201190|1.179741|1.161157|1.094048|2.233889|1.370778|2.524471|1.951453|1.595558|1.740182|2.711474|2.209382|3.786872|2.629408|0.074792|2.553428|3.028318|3.661140|5.291063|0.116032|3.028820|4.634732|7.269131|13.015847|12.519146|17.622243|8.837438|6.453918|4.590491|5.355855|0.035228|0.033608|0.031588|0.030600|0.031751|0.033914|0.030517|0.029915|0.028997|0.038058|0.044862|0.044354|0.047060|0.047623|0.056368|0.066430|0.064165|0.078371|0.087754|0.091867|0.120466|0.083372|0.078191|0.113782|0.118429|0.181890|0.500000| |1.206001|1.175861|1.147365|1.093654|2.224034|1.359403|2.495161|1.934062|1.569958|1.734469|2.676735|2.182124|3.787160|2.534335|0.072309|2.363854|2.670712|3.186601|4.939277|0.107725|2.975429|4.514541|6.630248|10.922405|12.394093|17.566385|8.844574|6.714001|5.190256|6.623206|0.035305|0.033974|0.031732|0.030281|0.031243|0.033396|0.030676|0.029782|0.029004|0.037815|0.043672|0.043480|0.047483|0.047667|0.055212|0.061815|0.059496|0.068011|0.076726|0.081563|0.097934|0.085751|0.076853|0.121749|0.112299|0.196576|0.302441|0.500000| |1.146050|1.116923|1.106209|1.034775|2.086904|1.273931|2.367015|1.783528|1.438512|1.559741|2.379232|1.949112|3.444094|2.238486|0.061375|2.212753|2.547684|3.108254|4.311779|0.087210|2.601152|3.913125|4.954174|7.578836|9.635980|8.904599|17.534958|8.763418|7.149747|8.734544|0.033710|0.031923|0.030379|0.029372|0.030101|0.032392|0.028761|0.028183|0.027627|0.034677|0.040744|0.039488|0.041965|0.043441|0.048526|0.059911|0.055530|0.068045|0.070213|0.084346|0.099100|0.070988|0.070958|0.098561|0.112811|0.195355|0.213524|0.173804|0.500000| |1.014283|0.993908|0.982623|0.930537|1.855400|1.121557|2.061767|1.576157|1.259862|1.351394|2.035457|1.625399|2.844972|1.833839|0.051360|1.808678|2.046756|2.346703|3.263317|0.068239|2.047433|2.757647|3.401983|5.790613|5.727275|5.844056|8.440480|17.596350|8.415634|6.152832|0.029569|0.028329|0.026972|0.026165|0.026864|0.028547|0.025928|0.025443|0.024885|0.030943|0.035431|0.034906|0.036746|0.037329|0.041935|0.048517|0.046582|0.055088|0.057891|0.062628|0.073155|0.056703|0.055089|0.072168|0.076112|0.110362|0.161993|0.146031|0.214649|0.500000| |1.043280|1.019629|1.000650|0.956066|1.910010|1.154318|2.113534|1.629436|1.302866|1.411030|2.127817|1.699133|2.971034|1.913666|0.054145|1.841291|2.056614|2.356666|3.413011|0.072460|2.155628|2.924339|3.688198|6.301476|6.296481|6.973602|8.691567|17.552021|8.698404|7.067680|0.030370|0.029300|0.027680|0.026600|0.027316|0.029002|0.026761|0.026098|0.025516|0.032052|0.036348|0.036138|0.038675|0.038893|0.043869|0.048985|0.047358|0.054293|0.058662|0.062182|0.072211|0.061024|0.057295|0.078741|0.078151|0.119084|0.174997|0.208142|0.173512|0.300576|0.500000| |1.013900|0.984289|0.972751|0.920340|1.822406|1.098555|2.030555|1.527992|1.211193|1.305219|1.943143|1.563501|2.794117|1.727706|0.047518|1.691214|1.865385|2.160185|3.034969|0.061503|1.959262|2.632366|3.028702|4.869872|5.198497|4.545521|7.061286|8.691574|17.583348|8.694310|0.029630|0.028320|0.027088|0.026024|0.026434|0.028295|0.025645|0.025031|0.024722|0.029915|0.034082|0.033217|0.035485|0.036508|0.039472|0.046244|0.043309|0.050199|0.051492|0.059574|0.065377|0.054642|0.054052|0.070861|0.075226|0.111661|0.111632|0.116271|0.189806|0.212032|0.173100|0.500000| |1.002919|0.972471|0.954888|0.912860|1.804326|1.084602|1.993646|1.514356|1.197418|1.296645|1.924721|1.540275|2.747442|1.691567|0.047006|1.626740|1.772497|2.029459|2.928670|0.060194|1.915295|2.531631|2.930895|4.783952|4.962296|4.462317|6.162556|8.440870|17.606984|8.448342|0.029209|0.028161|0.026773|0.025533|0.025943|0.027668|0.025548|0.024813|0.024497|0.029760|0.033437|0.032920|0.035554|0.036166|0.039172|0.044141|0.041835|0.047149|0.049423|0.055304|0.060595|0.054417|0.052273|0.070003|0.070239|0.104614|0.107032|0.126265|0.142081|0.179569|0.213090|0.300769|0.500000| |1.150423|1.109463|1.083591|1.033515|2.070586|1.255764|2.317870|1.758636|1.403759|1.547858|2.328402|1.901271|3.409195|2.115150|0.058529|1.984714|2.162388|2.564893|3.878485|0.079207|2.494097|3.593298|4.269976|6.498867|7.994918|6.884678|8.669748|7.070824|8.701575|17.536574|0.033708|0.032400|0.030523|0.028827|0.029319|0.031531|0.028983|0.027986|0.027613|0.034354|0.039120|0.038402|0.042404|0.043307|0.047108|0.053640|0.050092|0.056202|0.059934|0.069616|0.076090|0.072126|0.067749|0.102135|0.098020|0.179350|0.139944|0.203622|0.173067|0.140947|0.187684|0.173165|0.213475|0.500000| 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