Version2.1 2021-01-14T19:22:26Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COC(=O)c1ccc(cc1)OC2=CN=[NH+][C@H]2c3ccc(cc3O)OCc4ccc(cc4)C=C C38760283 RHF 6-31G(d) (6D,7F) COC(=O)c1ccc(cc1)OC2=CN=[NH+][C@H]2c3ccc(cc3O)OCc4ccc(cc4)C=C C01[X(C26H23N2O5)] 162 C1 541 COC(=O)c1ccc(cc1)OC1=CN=[NH+][C@H]1c1ccc(cc1O)OCc1ccc(cc1)C=C COC(=O)c1ccc(cc1)OC1=CN=[NH+][C@H]1c1ccc(cc1O)OCc1ccc(cc1)C=C COC(=O)c1ccc(OC2=CN=[NH+][C@H]2c3ccc(OCc4ccc(C=C)cc4)cc3O)cc1 InChIKey=CESJHVGITPILQW-VWLOTQADSA-O InChI=1S/C26H22N2O5/c1-3-17-4-6-18(7-5-17)16-32-21-12-13-22(23(29)14-21)25-24(15-27-28-25)33-20-10-8-19(9-11-20)26(30)31-2/h3-15,25,29H,1,16H2,2H3/p+1/t25-/m0/s1 InChI=1/C26H22N2O5/c1-3-17-4-6-18(7-5-17)16-32-21-12-13-22(23(29)14-21)25-24(15-27-28-25)33-20-10-8-19(9-11-20)26(30)31-2/h3-15,25,29H,1,16H2,2H3/p+1/t25-/m0/s1/fC26H23N2O5/h28H/q+1 COC(=O)c1ccc(cc1)OC2=CN=[NH+][C@H]2c3ccc(cc3O)OCc4ccc(cc4)C=C C01[X(C26H23N2O5)] 162 C01 541 COC(=O)c1ccc(cc1)OC1=CN=[NH+][C@H]1c1ccc(cc1O)OCc1ccc(cc1)C=C COC(=O)[C]1[CH][CH][C]([CH][CH]1)[O][C]1[CH][N][NH][C@H]1[C]1[CH][CH][C]([CH][C]1O)OC[C]1[CH][CH][C]([CH][CH]1)C=C COC(=O)[C]1[CH][CH][C]([CH][CH]1)O[C]2[CH][N]N[C@H]2[C]3[CH][CH][C]([CH][C]3O)OC[C]4[CH][CH][C]([CH][CH]4)C=C InChIKey=XBKIPXWKNOJGBD-VWLOTQADSA-N InChI=1S/C26H23N2O5/c1-3-17-4-6-18(7-5-17)16-32-21-12-13-22(23(29)14-21)25-24(15-27-28-25)33-20-10-8-19(9-11-20)26(30)31-2/h3-15,25,28-29H,1,16H2,2H3/t25-/m0/s1 InChI=1/C26H23N2O5/c1-3-17-4-6-18(7-5-17)16-32-21-12-13-22(23(29)14-21)25-24(15-27-28-25)33-20-10-8-19(9-11-20)26(30)31-2/h3-15,25,28-29H,1,16H2,2H3/t25-/m0/s1 3109.9070541738 -1480.8948148 1-A 21387.2006 116 425 541 |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| -20.79820 -20.72631 -20.69606 -20.69484 -20.63674 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0.5150 0.4437 0.8496 0.0218 0.4422 0.7865 0.5593 0.8459 0.8571 0.4923 0.3381 0.6525 0.1051 0.7382 0.4252 0.7811 0.7470 0.7128 0.4810 0.5007 0.6845 0.8502 0.8543 0.8540 0.8027 0.7403 0.7788 0.6139 0.6496 0.6859 0.5505 0.6369 0.7294 0.4311 0.8408 0.5952 0.4566 0.3565 0.0358 0.4604 0.0128 0.8538 0.8094 0.8520 0.2545 0.5339 0.8571 0.6801 0.8242 0.3346 0.2909 0.8001 0.2319 0.6735 0.3109 0.7255 0.3544 0.3561 0.4363 0.3817 0.4545 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 6 8 6 8 6 6 6 6 6 6 8 6 6 7 7 1 6 1 6 6 6 6 6 6 8 8 6 6 6 6 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 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 14.00307 14.00307 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 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 11629.3646 28998.5889 37875.0666 1.00000 0.00168 0.00250 -0.00170 0.99997 0.00698 -0.00249 -0.00698 0.99997 1 0.00745 0.00299 0.00229 0.15519 0.06224 0.04765 10.92 16.44 21.95 42.26 43.10 46.54 61.39 81.74 90.60 98.96 122.02 125.60 159.04 208.59 215.82 229.90 241.84 259.52 291.01 315.14 329.53 371.58 384.49 436.47 456.15 484.19 492.74 532.96 541.28 581.86 599.63 621.25 655.28 659.62 666.34 672.55 678.12 739.43 766.80 787.68 814.81 832.34 861.52 889.95 912.34 974.83 996.87 1009.41 1017.85 1042.75 1046.88 1073.62 1109.95 1118.00 1145.91 1159.94 1180.72 1236.11 1243.76 1281.37 1308.29 1311.98 1329.16 1330.62 1335.63 1351.42 1356.61 1364.79 1369.66 1386.94 1409.02 1489.04 1511.42 1551.12 1554.63 1560.91 1566.01 1571.37 1580.58 1590.10 1601.08 1604.98 1614.90 1618.29 1636.34 1641.65 1644.88 1707.64 1734.26 1740.29 1748.50 1781.89 1800.53 1834.05 1858.86 1859.16 1864.72 1872.66 1880.01 1887.33 1916.64 1924.20 1933.66 1934.85 1938.67 1960.64 2006.47 2007.13 2079.02 2081.19 2086.54 2099.99 2107.68 2111.62 2118.83 2128.73 2242.44 2245.65 2254.21 2259.60 2300.96 2330.93 2348.08 2359.99 2367.37 2401.72 2410.49 2419.76 2440.48 2444.63 2539.80 2542.09 2547.67 2576.09 2606.80 2609.71 2623.56 2686.45 2888.13 4650.27 4688.92 4693.85 4724.78 4803.03 4820.80 4820.94 4826.73 4828.05 4829.70 4845.73 4858.39 4871.95 4871.98 4881.48 4899.24 4927.68 4928.64 4931.96 4932.23 5022.78 5524.17 5892.27 0.476302 0.504089 0.505033 0.410793 -1480.418513 -1480.390726 -1480.389782 -1480.484022 3.160825D-04 MUNgauss RevisionA2.0 retrievium 14-Jan-2021 DUDE COC(=O)c1ccc(cc1)OC2=CN=[NH+][C@H]2c3ccc(cc3O)OCc4ccc(cc4)C=C C38760283 RHF 6-31G(d) (6D,10F) C1 443.160697 |X|Y|Z| 121.934964 74.931054 30.071491 65.010227 26 6 7 8 22 2 2 |36.858105| |13.366767|73.516695| |8.145131|25.736641|36.858105| |7.183942|15.283734|16.032400|73.516695| |5.185271|14.438289|12.718376|14.331367|36.858105| |3.962543|9.386652|7.703529|12.100474|13.700664|36.858105| |3.148557|7.127860|5.071791|8.101564|7.916702|13.782819|36.858105| |3.012927|6.884567|4.504039|6.838594|6.971647|8.053729|13.825153|36.858105| |3.429189|8.196917|5.023933|7.108143|7.927497|6.851456|7.861722|13.833068|36.858105| |4.569146|12.333815|7.542477|9.387150|13.729611|7.912976|6.835077|8.034312|13.743633|36.858105| |2.471500|5.379451|3.380896|5.349876|4.603843|5.227397|7.978839|13.543795|7.957924|5.213659|73.516695| |2.244358|4.786035|2.943255|4.714088|3.813832|4.187248|5.738714|8.031473|6.096850|4.314211|26.423117|36.858105| |1.942014|4.036335|2.436957|3.968826|3.009221|3.251187|4.167112|5.218893|4.389018|3.349598|14.426879|13.878952|36.858105| |1.821761|3.737800|2.232039|3.659589|2.685760|2.852937|3.489081|4.170267|3.709949|2.966799|9.839612|8.608622|14.180648|53.358707| |1.947242|4.018332|2.403898|3.924188|2.904652|3.064700|3.707226|4.419536|3.986410|3.213112|9.673920|8.516056|8.927499|20.722631|53.358707| |1.847936|3.764108|2.232229|3.671848|2.632230|2.745540|3.205268|3.682916|3.427665|2.878471|7.580641|5.914977|6.197236|13.284201|25.927422|0.500000| |2.273856|4.823838|2.942683|4.721502|3.726874|3.979564|5.030248|6.367228|5.468847|4.180149|13.514905|12.643693|8.179255|11.364988|17.774354|0.240745|36.858105| |2.439694|5.235203|3.120088|4.890879|3.957907|3.975739|4.755734|6.268236|6.196558|4.696850|11.787718|8.972562|6.353552|8.822951|12.526564|0.203469|17.554023|0.500000| |2.340114|4.927691|3.095397|5.094693|3.861150|4.327385|5.337627|5.741247|4.756426|3.997993|10.500582|7.370102|5.441013|7.588338|10.437648|0.184330|12.611003|0.247636|36.858105| |2.126157|4.383593|2.788102|4.744414|3.377918|3.969949|4.923167|4.803471|3.844519|3.336899|9.151458|6.050830|4.993232|6.871330|8.310645|0.152343|7.507298|0.154946|13.717383|36.858105| |2.093090|4.235644|2.718031|4.767749|3.162756|3.742979|4.303029|3.914377|3.257639|2.995297|6.982744|4.262262|3.678567|5.071263|5.884629|0.115070|4.996495|0.116111|7.868802|13.817840|36.858105| |2.263844|4.555004|2.926456|5.178599|3.313444|3.811842|4.064844|3.670068|3.207472|3.080775|6.161124|3.668232|3.128552|4.337414|5.120194|0.102847|4.428719|0.110980|6.825327|7.967442|13.626512|36.858105| |2.530509|5.180864|3.292134|5.651740|3.769102|4.127504|4.288308|4.039261|3.682331|3.579932|6.520527|3.906750|3.226822|4.498947|5.518673|0.111274|5.033095|0.133979|7.907476|6.909108|7.885136|13.664417|36.858105| |2.581606|5.438559|3.406110|5.595938|4.131532|4.422569|4.887325|5.021979|4.582537|4.190733|8.164585|5.134446|4.006826|5.613646|7.347191|0.143479|7.580259|0.205544|13.630995|7.960363|6.839562|7.924047|13.834352|36.858105| |2.787493|5.945635|3.570198|5.655294|4.296886|4.194170|4.423540|4.876069|5.003885|4.670696|7.695276|4.772559|3.766410|5.291023|6.874087|0.136155|6.906802|0.234588|8.138765|5.285947|4.612849|5.219500|7.987234|14.159236|73.516695| |2.169022|4.249962|2.716421|4.949165|2.936452|3.325038|3.380629|3.018427|2.709254|2.682621|5.038941|2.933467|2.577550|3.565528|4.078544|0.083043|3.389001|0.087569|4.633105|5.240880|7.897303|14.388582|8.290626|5.335408|7.232123|73.516695| |1.931344|3.732273|2.375611|4.384765|2.542633|2.904635|2.983417|2.651688|2.361648|2.324122|4.534545|2.622747|2.371158|3.265785|3.620159|0.073606|2.909336|0.074286|3.766226|4.496913|6.659884|7.950993|5.238828|3.971639|5.643275|23.752070|36.858105| |1.849336|3.494905|2.198238|4.118628|2.276475|2.535095|2.523431|2.261125|2.066300|2.074583|3.832861|2.194285|2.004797|2.760522|3.028540|0.062006|2.406733|0.062987|2.972834|3.343728|4.397026|5.237419|4.096245|3.203926|4.819338|14.256838|12.680816|36.858105| |1.673359|3.135167|1.934670|3.587153|1.994072|2.173345|2.174357|1.996726|1.850696|1.851450|3.426486|1.984911|1.843632|2.575558|2.819877|0.058619|2.188341|0.057671|2.640396|2.918129|3.669446|4.238448|3.513796|2.836831|4.374975|10.353939|7.585675|13.753848|36.858105| |1.590920|2.936295|1.794998|3.349888|1.817770|1.954148|1.928866|1.778800|1.670181|1.687742|3.040290|1.747675|1.631223|2.270117|2.464381|0.051190|1.906328|0.050850|2.242157|2.421234|2.917477|3.316270|2.905441|2.413312|3.833703|7.586215|5.031659|7.920044|13.756741|36.858105| |1.644441|3.003154|1.841621|3.488736|1.835080|1.970542|1.912696|1.745960|1.645422|1.683199|2.951619|1.673542|1.553424|2.136481|2.306429|0.047458|1.803746|0.048401|2.104407|2.251215|2.677795|3.041416|2.713904|2.271428|3.647511|6.854449|4.421055|6.787326|7.882510|13.696968|36.858105| |1.814695|3.322750|2.070059|3.983123|2.053351|2.234422|2.142950|1.918868|1.795321|1.849889|3.205933|1.796850|1.648913|2.242142|2.420898|0.049291|1.924425|0.051527|2.267491|2.436626|2.934303|3.368796|2.968729|2.454819|3.904198|7.746651|5.033278|7.907887|6.895570|7.973417|13.649426|36.858105| |1.939253|3.617914|2.291902|4.398507|2.317134|2.579091|2.494484|2.199988|2.024443|2.071075|3.667024|2.056730|1.868384|2.533754|2.753898|0.055789|2.214584|0.058633|2.680250|2.943120|3.700027|4.345601|3.624491|2.902884|4.477925|10.761052|7.583487|13.699184|7.977946|6.910647|7.894321|13.807291|36.858105| |1.524170|2.748616|1.665280|3.153518|1.641990|1.740242|1.682331|1.549557|1.475403|1.515152|2.624186|1.484446|1.387439|1.907535|2.045319|0.042133|1.588685|0.042942|1.816767|1.918101|2.217978|2.472728|2.271818|1.951732|3.197784|5.308119|3.290888|4.444201|5.066406|7.691412|12.868682|7.545269|5.032040|36.858105| |1.495956|2.674017|1.618100|3.087742|1.580504|1.671667|1.605109|1.474148|1.407125|1.452480|2.489882|1.397264|1.306870|1.784277|1.900400|0.038935|1.479487|0.040084|1.674813|1.761884|2.011369|2.213597|2.052091|1.788392|2.952572|4.644158|2.852506|3.664798|3.891781|5.146415|7.610470|6.249193|4.314195|14.415616|36.858105| |17.651220|16.419600|7.223970|12.732280|4.738506|3.806058|3.028537|2.849464|3.161524|4.081041|4.198850|2.126276|1.854858|2.353434|2.488482|0.048076|2.118879|0.062259|2.178917|2.013884|1.990165|2.127404|2.326709|2.359026|4.430178|3.647574|1.855807|1.783631|1.611045|1.537625|1.598980|1.771143|1.885369|1.487936|1.471648|0.500000| |17.678868|16.893139|5.953919|9.170983|4.382133|3.400412|2.821019|2.785652|3.230106|4.195801|4.139944|2.137066|1.868241|2.398787|2.557999|0.049753|2.169490|0.065286|2.195860|1.983558|1.937371|2.084012|2.336947|2.412070|4.707910|3.541096|1.778824|1.706158|1.561237|1.488918|1.530780|1.670134|1.773538|1.427716|1.399937|0.298439|0.500000| |17.648032|16.413163|7.205183|12.739204|4.721206|3.782253|3.013000|2.841173|3.155731|4.076804|4.180058|2.165859|1.877490|2.422525|2.610050|0.050947|2.232721|0.066259|2.344470|2.139667|2.140478|2.358526|2.646148|2.635905|5.033812|4.077287|2.029225|1.964949|1.776151|1.696490|1.764485|1.954109|2.077948|1.635788|1.605237|0.299917|0.298334|0.500000| |3.884297|8.619828|7.222687|13.681402|8.947260|17.762008|8.916132|5.691682|4.944489|5.649255|7.493850|3.526264|2.851809|3.466196|3.702004|0.068809|3.402494|0.092960|3.813794|3.682175|3.663306|3.787072|3.933938|3.947281|6.493645|6.110365|3.056065|2.699327|2.277347|2.055669|2.102019|2.427430|2.816532|1.849686|1.787670|0.106641|0.090788|0.105758|0.500000| |2.740446|5.929717|4.123135|6.985272|5.623053|8.868428|17.753275|8.930693|5.623811|4.935390|13.006829|5.553335|4.213538|4.784735|4.985296|0.088090|4.772997|0.118455|5.275647|5.423278|4.793944|4.261982|4.187088|4.581810|6.990737|6.298271|3.221394|2.669636|2.276353|2.001356|1.978832|2.226690|2.624219|1.728864|1.648159|0.074296|0.068591|0.073863|0.212690|0.500000| |3.083588|7.076479|4.080019|5.924578|5.631621|4.942481|5.618415|8.915209|17.729184|8.873073|12.928225|6.134672|4.632395|5.352479|5.662928|0.099080|5.454413|0.181455|4.366510|3.514297|2.950357|2.883778|3.301148|4.140623|8.327459|4.361268|2.157113|1.900245|1.726273|1.564388|1.533363|1.654665|1.849022|1.383736|1.318944|0.078968|0.083221|0.078795|0.107409|0.124097|0.500000| |5.075383|13.979780|6.947723|8.629092|8.917881|5.638658|4.936662|5.691777|8.930562|17.772358|7.488920|3.669097|2.976752|3.671505|3.963915|0.073833|3.633768|0.115883|3.433022|2.884393|2.623396|2.727824|3.179552|3.663679|7.540415|4.304631|2.108493|1.913340|1.728900|1.591676|1.590095|1.733818|1.914764|1.444571|1.388201|0.121345|0.136156|0.121461|0.124370|0.107301|0.213954|0.500000| |1.829933|3.768495|2.266119|3.715660|2.757391|2.977577|3.755942|4.554688|3.890155|3.040274|12.152617|8.611174|17.846372|12.319351|8.280935|0.131946|5.636809|0.132282|4.238208|4.091430|3.186988|2.729384|2.768256|3.301796|5.566079|4.101679|2.164055|1.851973|1.708875|1.523905|1.457957|1.546082|1.739541|1.310158|1.240710|0.049015|0.049023|0.048906|0.073527|0.107095|0.114379|0.075865|0.500000| |1.967233|4.031270|2.543807|4.334159|3.070819|3.605957|4.578023|4.566333|3.604281|3.069638|9.495046|6.460092|5.790210|7.815231|8.601912|0.152099|6.937149|0.139806|8.911372|17.687767|9.013011|5.668383|4.968446|5.647671|7.569352|7.499662|3.901225|2.985267|2.647153|2.225398|2.074521|2.230612|2.654289|1.786753|1.652610|0.052261|0.051252|0.054510|0.093170|0.145338|0.093378|0.074165|0.132893|0.500000| |1.924078|3.838913|2.455112|4.370757|2.802068|3.321792|3.779840|3.403915|2.847166|2.637284|6.187322|3.710942|3.348213|4.589580|5.078810|0.099959|4.087728|0.096232|5.632211|8.972022|17.790407|8.821189|5.610110|4.940474|6.512761|12.461662|7.348218|4.662208|3.865084|3.033184|2.765733|3.027157|3.849671|2.277199|2.065182|0.051381|0.049529|0.054610|0.092566|0.120401|0.072270|0.064776|0.083083|0.218777|0.500000| |2.646111|5.323448|3.335015|5.784165|3.639648|3.820900|3.749429|3.533577|3.369192|3.421605|5.610788|3.293701|2.777486|3.870542|4.646875|0.095095|4.094136|0.114313|5.618758|4.971849|5.636529|8.954591|17.727739|8.897629|12.720628|13.619340|4.869017|4.129670|3.595665|3.034887|2.860826|3.122591|3.741265|2.400153|2.158453|0.066860|0.067859|0.078493|0.103105|0.099760|0.084499|0.086665|0.067392|0.107807|0.123801|0.500000| |2.935062|6.166535|3.649843|5.827093|4.172303|3.959837|3.945889|4.168452|4.384816|4.397579|6.477186|3.877819|3.172752|4.443351|5.534991|0.112280|5.140092|0.167068|6.036442|4.429977|4.151723|4.971694|7.783353|9.970422|35.682846|7.280092|3.150813|2.760530|2.517845|2.226266|2.128231|2.275628|2.588411|1.869640|1.723075|0.071890|0.077491|0.084479|0.098314|0.097778|0.113580|0.114657|0.075315|0.100812|0.093682|0.228614|0.500000| |1.777094|3.436247|2.159069|3.930276|2.331765|2.638186|2.773253|2.526555|2.249277|2.177047|4.434678|2.618610|2.416607|3.387324|3.746674|0.077184|2.920996|0.073676|3.744835|4.602996|6.766527|7.089569|4.789289|3.808794|5.420414|16.502398|17.590801|8.895251|7.217474|4.749990|3.963779|4.203648|5.634202|3.046546|2.632612|0.047431|0.045893|0.051472|0.075612|0.083447|0.057838|0.055116|0.061268|0.113650|0.224337|0.120691|0.082906|0.500000| |1.969942|3.824775|2.470674|4.602359|2.663690|3.132071|3.239864|2.799427|2.443947|2.399275|4.781584|2.714085|2.442313|3.294248|3.593654|0.071682|2.922443|0.073881|3.749688|4.608584|6.777954|7.101326|4.792569|3.811385|5.419766|16.522107|17.582656|8.887421|5.706797|4.233219|3.964512|4.711526|7.071634|3.040963|2.723087|0.053055|0.050072|0.057113|0.093296|0.100074|0.061407|0.059824|0.062390|0.113722|0.224418|0.120683|0.082921|0.300363|0.500000| |1.601583|3.017007|1.849756|3.386539|1.927973|2.093734|2.126809|1.981195|1.835291|1.815054|3.444736|2.024134|1.897891|2.687292|2.952364|0.062083|2.253533|0.059076|2.717713|3.023391|3.787654|4.275659|3.534843|2.889242|4.438096|9.931370|7.011008|8.911925|17.700896|8.940968|5.628563|4.962493|5.655802|4.134979|3.280008|0.042703|0.041766|0.046935|0.060083|0.061868|0.047915|0.047135|0.048724|0.076487|0.111336|0.098732|0.070398|0.218263|0.144895|0.500000| |1.479462|2.721645|1.647423|3.052799|1.668435|1.777346|1.762162|1.644503|1.553800|1.565172|2.830177|1.635588|1.540287|2.157615|2.335607|0.048841|1.784817|0.047764|2.070714|2.218984|2.618112|2.925055|2.616070|2.216947|3.566147|6.411167|4.105604|5.646530|8.944735|17.713067|8.915638|5.656963|4.971228|7.143003|4.816710|0.039698|0.038730|0.043699|0.051492|0.050589|0.040739|0.041251|0.040074|0.057146|0.075369|0.075813|0.057500|0.112959|0.097618|0.216780|0.500000| |1.848484|3.345573|2.084109|4.064545|2.034288|2.202883|2.083188|1.857756|1.748036|1.818831|3.083012|1.710930|1.568340|2.116920|2.272799|0.046040|1.813640|0.048840|2.109428|2.242575|2.642795|2.995248|2.705387|2.279093|3.675566|6.599560|4.111594|5.645183|4.965782|5.656043|8.882781|17.739478|8.977219|6.923731|6.808101|0.050486|0.047087|0.055517|0.067162|0.059843|0.044678|0.047524|0.041046|0.057394|0.075204|0.079240|0.059625|0.096842|0.111819|0.107720|0.124103|0.500000| |2.100843|3.937849|2.541752|4.961105|2.563475|2.908398|2.773074|2.387420|2.178058|2.244557|3.926878|2.168993|1.948599|2.606528|2.824154|0.056529|2.308088|0.061030|2.800712|3.077724|3.854690|4.488393|3.751657|3.022471|4.642352|10.629870|7.024730|8.901284|5.659735|4.970103|5.631698|8.961258|17.698532|4.098174|3.749141|0.057044|0.052778|0.062516|0.090464|0.081556|0.054616|0.057121|0.050445|0.076970|0.110640|0.106264|0.074201|0.142369|0.209688|0.124138|0.107809|0.217599|0.500000| 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