Version2.0 2020-01-31T16:04:39Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+]1CCc2cc(c(cc2[C@@H]1Cc3cc(c(cc3N)OC)Oc4ccc(c(c4)OC)OC)OC)OC C01728460 RHF 6-31G(d) (6D,7F) C[NH+]1CCc2cc(c(cc2[C@@H]1Cc3cc(c(cc3N)OC)Oc4ccc(c(c4)OC)OC)OC)OC C01[X(C28H35N2O6)] 207 C1 610 COc1cc(N)c(cc1Oc1ccc(c(c1)OC)OC)C[C@@H]1[NH+](C)CCc2c1cc(OC)c(c2)OC COc1cc(N)c(cc1Oc1ccc(c(c1)OC)OC)C[C@@H]1[NH+](C)CCc2c1cc(OC)c(c2)OC COc1ccc(Oc2cc(C[C@@H]3[NH+](C)CCc4cc(OC)c(OC)cc34)c(N)cc2OC)cc1OC InChIKey=AWWFIMREJDXYER-QFIPXVFZSA-O InChI=1S/C28H34N2O6/c1-30-10-9-17-12-24(32-3)26(34-5)15-20(17)22(30)11-18-13-28(27(35-6)16-21(18)29)36-19-7-8-23(31-2)25(14-19)33-4/h7-8,12-16,22H,9-11,29H2,1-6H3/p+1/t22-/m0/s1 InChI=1/C28H34N2O6/c1-30-10-9-17-12-24(32-3)26(34-5)15-20(17)22(30)11-18-13-28(27(35-6)16-21(18)29)36-19-7-8-23(31-2)25(14-19)33-4/h7-8,12-16,22H,9-11,29H2,1-6H3/p+1/t22-/m0/s1/fC28H35N2O6/h30H/q+1 C[NH+]1CCc2cc(c(cc2[C@@H]1Cc3cc(c(cc3N)OC)Oc4ccc(c(c4)OC)OC)OC)OC C01[X(C28H35N2O6)] 207 C01 610 COc1cc(N)c(cc1Oc1ccc(c(c1)OC)OC)C[C@@H]1[NH+](C)CCc2c1cc(OC)c(c2)OC COc1cc(N)c(cc1Oc1ccc(c(c1)OC)OC)C[C@@H]1[NH](C)CCc2c1cc(OC)c(c2)OC COc1ccc(Oc2cc(C[C@@H]3[NH](C)CCc4cc(OC)c(OC)cc34)c(N)cc2OC)cc1OC InChIKey=QBLQDIVFOAEYPS-QFIPXVFZSA-N InChI=1S/C28H35N2O6/c1-30-10-9-17-12-24(32-3)26(34-5)15-20(17)22(30)11-18-13-28(27(35-6)16-21(18)29)36-19-7-8-23(31-2)25(14-19)33-4/h7-8,12-16,22,30H,9-11,29H2,1-6H3/t22-/m0/s1 InChI=1/C28H35N2O6/c1-30-10-9-17-12-24(32-3)26(34-5)15-20(17)22(30)11-18-13-28(27(35-6)16-21(18)29)36-19-7-8-23(31-2)25(14-19)33-4/h7-8,12-16,22,30H,9-11,29H2,1-6H3/t22-/m0/s1 3921.6409918195 -1638.4873274 1-A 22881.5378 132 478 610 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0.1510 0.7088 0.2942 0.3049 0.4582 0.7892 0.7217 0.8345 0.7893 0.8530 0.2826 0.0824 0.0599 0.0614 0.0448 0.0518 0.1325 0.1250 0.3512 0.8202 0.8172 0.8551 0.3620 0.8505 0.8570 0.3627 0.2968 0.8514 0.6641 0.6403 0.6414 0.6120 0.8155 0.6332 0.8324 0.6859 0.3948 0.4595 0.3966 0.4257 0.3209 0.3921 0.4654 0.2639 0.7919 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 66 67 68 69 70 71 6 7 1 6 6 6 6 6 6 6 6 6 1 6 6 6 6 6 6 6 7 8 6 8 6 6 6 6 6 6 8 6 8 6 8 6 8 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 1 1 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 15.99491 12.00000 15.99491 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 1.00783 1.00783 15408.9150 27784.8969 39225.5501 0.99996 -0.00923 -0.00058 0.00923 0.99996 -0.00165 0.00059 0.00165 1.00000 1 0.00562 0.00312 0.00221 0.11712 0.06495 0.04601 12.06 19.60 26.70 41.31 48.11 56.65 77.65 90.17 108.82 111.98 128.08 139.39 152.47 190.54 212.60 222.51 229.32 244.96 260.82 285.63 289.88 298.45 321.74 334.50 347.77 365.48 379.25 392.11 396.40 410.78 413.02 440.92 445.55 453.46 466.71 503.03 515.82 531.55 566.94 582.55 593.04 598.60 609.74 625.76 660.89 695.49 700.78 713.43 739.52 745.11 746.55 752.22 773.70 805.17 836.28 846.40 864.98 898.28 949.21 970.30 971.53 1008.16 1056.65 1078.67 1110.00 1126.50 1129.58 1137.49 1152.66 1172.98 1187.18 1196.99 1219.99 1253.92 1328.33 1340.97 1366.06 1373.63 1386.65 1403.61 1418.11 1422.57 1451.91 1483.48 1501.21 1520.37 1522.14 1552.43 1573.52 1610.60 1621.81 1651.74 1655.38 1668.33 1670.81 1704.49 1709.50 1743.03 1761.32 1769.42 1792.16 1802.62 1818.51 1831.35 1846.59 1859.93 1860.28 1860.55 1861.13 1861.63 1883.52 1890.00 1912.96 1917.88 1919.96 1920.50 1921.48 1937.47 1945.33 1950.67 1973.02 1997.28 2006.44 2013.22 2030.99 2045.22 2053.49 2063.13 2069.70 2129.14 2142.65 2160.63 2169.37 2187.91 2203.48 2224.84 2258.15 2272.99 2281.81 2314.02 2341.31 2343.55 2345.62 2348.53 2352.66 2356.02 2357.60 2360.70 2366.43 2375.37 2375.82 2376.11 2376.42 2376.53 2378.01 2381.76 2382.03 2382.57 2385.61 2386.92 2410.32 2446.93 2452.91 2461.77 2463.15 2572.75 2586.80 2588.65 2594.71 2595.23 2612.06 2639.72 4610.72 4612.66 4616.32 4618.57 4622.41 4624.33 4662.42 4688.33 4699.60 4703.41 4708.54 4711.21 4714.88 4716.99 4719.36 4720.42 4740.16 4787.57 4802.92 4806.68 4819.09 4820.67 4821.23 4821.74 4853.61 4875.74 4876.37 4883.49 4888.01 4894.21 4909.12 4915.23 4961.61 5349.20 5481.47 0.646472 0.679657 0.680601 0.578203 -1637.840856 -1637.807671 -1637.806726 -1637.909124 3.434446D-04 MUNgauss RevisionA2.0 retrievium 31-Jan-2020 DUDE C[NH+]1CCc2cc(c(cc2[C@@H]1Cc3cc(c(cc3N)OC)Oc4ccc(c(c4)OC)OC)OC)OC C01728460 RHF 6-31G(d) (6D,10F) C1 495.249512 |X|Y|Z| 86.770654 118.430228 36.421892 72.066370 24 6 7 8 22 1 1 |36.858105| |12.800040|53.358707| |9.394173|25.419776|0.500000| |7.775567|17.300725|0.261131|36.858105| |5.020874|10.432171|0.191655|12.548608|36.858105| |4.546260|8.890920|0.154490|7.755414|12.635079|36.858105| |3.452789|6.023183|0.109898|5.178264|7.497237|13.597151|36.858105| |3.051165|5.040028|0.092353|3.995922|5.008189|7.885010|13.867151|36.858105| |3.242941|5.255016|0.094939|3.848057|4.432608|6.824114|7.904750|13.426969|36.858105| |4.083322|6.830082|0.119094|4.617714|5.047758|7.934137|6.898995|7.911783|13.882928|36.858105| |5.232120|10.205082|0.167227|6.837491|7.694995|13.902682|7.953288|6.835139|7.885904|13.565734|36.858105| |7.621711|16.907079|0.256229|7.400901|6.574015|7.553454|5.011773|4.432765|5.043140|7.609243|12.584525|36.858105| |7.954735|12.370998|0.192512|5.884473|4.990886|5.723444|4.239851|3.990670|4.759743|7.189459|8.941170|17.630866|0.500000| |5.479959|10.349433|0.223020|5.215139|5.169932|5.608362|4.166589|3.803911|4.282530|5.861128|7.538916|12.337081|0.246280|36.858105| |5.462389|8.575243|0.202519|4.316421|3.973933|3.985972|3.157498|2.929411|3.244338|4.141817|4.877683|7.372905|0.190026|12.549552|36.858105| |4.545846|6.361604|0.137288|3.438240|3.171808|3.291744|2.733174|2.636616|2.995655|3.761948|4.053481|5.568718|0.165420|7.562064|13.584225|36.858105| |3.918129|5.155654|0.112491|2.924305|2.672214|2.699881|2.299283|2.219722|2.470470|2.975930|3.173583|4.105762|0.121770|5.015767|7.852016|13.886797|36.858105| |3.852638|5.017785|0.114269|2.897307|2.620302|2.546165|2.167287|2.053267|2.223704|2.628749|2.882596|3.689447|0.104963|4.407157|6.791026|7.934888|13.511622|36.858105| 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|2.338432|3.128972|0.062576|1.976925|1.905562|2.074826|1.917650|2.004618|2.332796|2.624965|2.430322|2.662065|0.082011|2.860551|3.048735|3.843749|3.813491|3.005387|2.585177|2.596670|2.997995|5.046093|2.352307|8.168077|6.874328|7.887633|13.858018|36.858105| |2.332702|3.182921|0.064874|1.999190|1.946912|2.105386|1.936480|2.006180|2.311539|2.606865|2.452930|2.711948|0.081483|3.052855|3.324697|4.276047|4.296274|3.331624|2.830202|2.825684|3.216199|5.558975|2.559281|9.291486|7.938536|6.833133|7.917061|13.469434|36.858105| |2.592729|3.523798|0.073027|2.165416|2.085833|2.219377|2.001627|2.033646|2.320360|2.669904|2.593372|2.976078|0.089070|3.464751|4.027174|5.580059|6.007658|4.341780|3.499934|3.407956|3.726946|7.140042|3.130506|14.196949|13.651112|7.924195|6.887852|7.898034|13.840033|36.858105| |2.062725|2.861424|0.058537|1.833321|1.817083|1.970544|1.843213|1.924490|2.199052|2.417938|2.257428|2.427011|0.071292|2.739083|2.894843|3.514530|3.472259|2.838518|2.489528|2.506318|2.927601|4.777776|2.271932|7.071223|5.209059|4.618698|5.303617|8.169526|14.225489|7.919807|73.516695| |1.965595|2.760505|0.057337|1.778082|1.778965|1.908084|1.786674|1.847359|2.074309|2.264828|2.152581|2.313394|0.066419|2.672912|2.848589|3.374808|3.378017|2.846663|2.518646|2.517646|2.956122|4.822113|2.321593|6.691351|4.518402|3.793880|3.991230|5.242957|8.034616|6.748269|24.178826|36.858105| |2.069669|2.790801|0.055536|1.802358|1.757157|1.925859|1.814383|1.922644|2.233596|2.445207|2.226014|2.362859|0.071940|2.496731|2.577380|3.090922|3.020580|2.486073|2.200040|2.229029|2.642010|4.208801|2.020177|6.173602|4.633486|5.182231|7.895905|14.185382|8.165467|5.294106|13.152336|4.798798|73.516695| |1.976591|2.630295|0.051834|1.718874|1.665364|1.823521|1.730380|1.840406|2.131062|2.307128|2.093405|2.198689|0.067423|2.253663|2.303713|2.699091|2.644023|2.226721|1.992852|2.018287|2.425885|3.801012|1.851014|5.325990|3.804918|4.504201|6.727286|8.034949|5.245542|3.987016|8.535935|3.557216|24.194789|36.858105| |2.726277|4.210605|0.077713|3.048573|3.383816|4.619790|5.308670|8.180340|14.270359|7.922084|5.189863|3.882300|0.106773|3.484725|2.793982|2.681860|2.259966|2.022551|2.068803|2.384745|3.190137|3.176478|1.618891|3.748291|2.247368|2.290788|2.346795|2.354088|2.302651|2.251426|3.952418|2.076160|4.108078|2.226386|73.516695| |2.652947|3.963218|0.073564|2.757715|2.927928|3.785802|3.985428|5.235939|8.028046|6.720503|4.495077|3.691849|0.106769|3.398897|2.814438|2.813279|2.375670|2.081755|2.082482|2.365475|3.074542|3.282722|1.653564|4.016404|2.474019|2.564118|2.700960|2.733015|2.616804|2.494967|4.481682|2.295063|4.837803|2.632183|24.151180|36.858105| |2.525547|4.013620|0.075191|3.183298|3.853286|5.193866|7.924882|14.293132|8.188201|5.314921|4.627054|3.386189|0.087253|3.034014|2.447644|2.249951|1.937519|1.803201|1.898686|2.195626|3.093733|2.850733|1.488725|3.169693|1.836644|1.839220|1.837130|1.831727|1.827770|1.830258|3.160107|1.711374|3.173124|1.721693|13.205220|4.805910|73.516695| |2.302188|3.637354|0.069243|2.975362|3.652149|4.499369|6.722576|8.029453|5.236495|3.987524|3.790551|2.922456|0.074732|2.657191|2.195099|2.004866|1.754356|1.660176|1.761667|2.020575|2.900283|2.645242|1.398182|2.871031|1.645487|1.639941|1.628697|1.622654|1.627287|1.638636|2.824604|1.545289|2.811619|1.528772|8.540987|3.553437|24.125843|36.858105| |17.633967|12.326856|0.225077|7.263772|4.663938|3.972048|3.118225|2.729631|2.817553|3.392074|4.245082|5.555579|0.152883|4.439888|4.569544|3.846549|3.494842|3.614485|4.186253|4.833396|6.980407|5.455160|2.883439|5.212092|2.659701|2.656347|2.325092|2.098529|2.101575|2.333347|3.335514|1.804822|3.327979|1.795892|4.274519|2.324257|4.102028|2.150266|0.500000| |17.672595|12.321253|0.225106|5.634841|4.158170|3.935385|3.078684|2.802875|3.048956|3.857834|4.685154|7.089599|0.224374|5.777511|6.557332|5.669000|4.911995|4.762742|5.256584|6.217158|7.437043|6.754700|3.327611|6.986979|3.516100|3.513567|2.951534|2.600180|2.602989|2.959600|4.014080|2.142345|4.007298|2.134255|4.655124|2.614707|4.173713|2.128258|0.299606|0.500000| |17.639069|12.335856|0.181325|7.007418|4.709783|4.528620|3.526641|3.176836|3.419097|4.295960|5.286845|6.909870|0.221549|4.736079|4.501009|4.001099|3.470085|3.310691|3.573393|4.169773|5.574684|5.001367|2.549003|5.317944|2.842340|2.947348|2.623668|2.334381|2.280289|2.481048|3.588244|1.899546|3.711156|2.023050|5.129522|2.816506|4.675652|2.375162|0.299372|0.298830|0.500000| |7.068329|12.474084|0.237587|17.609804|8.759995|5.566320|4.163897|3.312187|3.167036|3.666754|4.965200|5.530329|0.129805|4.408490|3.945141|3.168252|2.788743|2.856135|3.377409|4.131348|6.965128|4.350571|2.347201|4.206933|2.206587|2.163490|1.963922|1.838493|1.866343|2.032655|3.049657|1.675787|2.980404|1.601270|4.626065|2.385113|4.889851|2.639889|0.218627|0.145983|0.168217|0.500000| |7.400539|12.360106|0.182748|17.631586|8.870730|7.117679|5.144656|4.087714|3.955538|4.672012|6.489730|6.468811|0.158748|4.436264|3.746398|3.147238|2.709193|2.645621|2.966640|3.581291|5.406478|4.048639|2.131599|4.175033|2.257623|2.272107|2.097031|1.950031|1.940901|2.075578|3.160334|1.706387|3.183200|1.728323|5.603630|2.846053|5.821112|3.041350|0.189724|0.147006|0.220756|0.300654|0.500000| |4.577963|9.431617|0.202065|8.853885|17.512069|8.790021|6.072469|4.359143|3.933490|4.453464|6.393808|6.040546|0.126249|5.480290|4.238336|3.277278|2.764905|2.754235|3.248616|4.195528|7.259318|4.138679|2.203979|4.150957|2.219493|2.121899|1.959975|1.893286|1.964286|2.125083|3.275119|1.827337|3.091690|1.632568|5.498196|2.720683|6.179147|3.338843|0.120507|0.110263|0.113932|0.211669|0.173644|0.500000| |4.174428|7.606046|0.143382|8.974050|17.584148|8.868530|7.144174|4.737500|3.973074|4.218526|5.692245|4.843209|0.110489|3.998081|3.250936|2.689794|2.327261|2.302482|2.620427|3.181582|5.123362|3.556477|1.906221|3.603389|1.955946|1.917209|1.798347|1.727349|1.756594|1.865408|2.937200|1.620347|2.859899|1.536417|5.564060|2.682379|6.814070|3.835915|0.112734|0.097050|0.112215|0.213178|0.214150|0.303894|0.500000| |3.100428|5.278701|0.099078|4.738138|6.968857|8.915772|17.758030|8.966520|5.623014|4.968868|5.672308|4.091961|0.097704|3.536968|2.797134|2.428081|2.085577|1.998254|2.186204|2.597872|3.890489|3.120717|1.651653|3.313107|1.856601|1.831701|1.769493|1.733997|1.755277|1.815356|2.988549|1.641921|2.929441|1.576902|7.608891|3.327179|12.611578|7.491730|0.080253|0.076668|0.087222|0.111479|0.130099|0.162400|0.216363|0.500000| |4.025376|6.317452|0.111705|4.024564|4.124232|5.658006|4.967616|5.627670|8.982563|17.743645|8.880903|7.120789|0.216697|5.841968|4.336673|4.177272|3.253933|2.780888|2.827074|3.383958|4.304684|4.198391|2.072261|5.218460|3.141326|3.213169|3.167102|3.054355|2.987006|3.027253|4.845697|2.496238|5.016206|2.649388|12.631413|7.505141|7.618745|3.329210|0.091738|0.110376|0.118424|0.091620|0.113382|0.104466|0.097234|0.107831|0.500000| |4.744135|9.338796|0.219031|5.294586|5.797064|5.980152|4.438198|3.891623|4.132750|5.265774|6.968349|8.858856|0.174469|17.566841|8.786157|5.669247|4.196860|3.927582|4.632292|6.932619|9.823561|5.486485|2.756848|5.898403|3.139020|2.859232|2.576974|2.516857|2.708255|3.037325|4.439048|2.491635|3.979758|2.028215|5.935946|3.147624|5.535866|2.782629|0.113435|0.131993|0.113915|0.126763|0.119996|0.188675|0.122624|0.106685|0.136124|0.500000| |4.415211|7.582949|0.154261|4.246523|4.383640|5.143968|4.093429|3.970494|4.724282|6.552111|7.130320|8.996341|0.215359|17.599456|8.925423|7.270183|4.790271|3.991624|4.219286|5.656540|6.657789|5.587633|2.688875|6.887524|3.895912|3.553301|3.232960|3.179898|3.425111|3.809964|5.495429|2.989272|4.940797|2.469088|6.964681|3.927900|5.657299|2.720087|0.101318|0.129943|0.112825|0.100506|0.105775|0.126037|0.098070|0.095178|0.194098|0.306572|0.500000| |4.138809|5.831467|0.119571|3.249670|3.058788|3.314633|2.799915|2.778529|3.263511|4.149154|4.207639|5.498920|0.171982|7.069537|8.893371|17.750149|9.028726|5.652127|4.983095|5.670381|5.675067|7.637161|3.336201|12.694017|7.525893|6.213601|4.969789|4.617860|5.101896|6.467154|7.221669|3.740611|6.446190|3.103675|5.273345|3.208019|4.213831|2.077090|0.096203|0.137671|0.106537|0.081566|0.084620|0.086133|0.072449|0.068217|0.134987|0.145518|0.221489|0.500000| |3.902163|5.247867|0.128460|3.141545|2.826971|2.589828|2.189552|2.011914|2.103199|2.442529|2.787574|3.502290|0.093580|4.076125|5.651373|4.983239|5.635297|8.950040|17.750847|8.925389|9.758286|12.614766|7.493269|7.590563|3.336352|2.911027|2.425605|2.275601|2.472276|2.983464|3.935964|2.258329|3.500816|1.801569|3.350460|1.881979|3.145944|1.663080|0.109480|0.124710|0.089678|0.090518|0.077104|0.085190|0.069560|0.057242|0.068857|0.110108|0.097128|0.108083|0.500000| |4.722200|7.198505|0.203021|4.403571|3.954443|3.334801|2.716586|2.384545|2.416971|2.814209|3.424477|4.311672|0.105738|4.901522|5.840328|4.324314|4.080666|4.898377|7.562604|9.406892|25.883199|7.005378|3.940299|5.665633|2.727161|2.476288|2.147657|2.036122|2.175531|2.513487|3.533937|2.014603|3.205199|1.666227|3.728436|2.025929|3.661734|1.956268|0.136903|0.135621|0.103668|0.133078|0.100176|0.126593|0.095088|0.071696|0.075952|0.145814|0.108391|0.098877|0.230014|0.500000| |4.305086|7.405220|0.208477|4.539210|4.528805|3.907401|3.143093|2.736641|2.766591|3.236688|3.998365|4.937247|0.113898|6.373440|6.820642|4.652158|4.049504|4.442056|6.212030|9.380183|25.817349|6.242685|3.348012|5.608324|2.788358|2.498444|2.203194|2.133051|2.312842|2.656138|3.805369|2.190613|3.371245|1.732251|4.205900|2.259566|4.147329|2.199721|0.115631|0.121610|0.098070|0.127299|0.101216|0.156324|0.105061|0.082033|0.085966|0.220804|0.136981|0.108566|0.163117|0.328802|0.500000| |2.727978|3.611150|0.082457|2.271142|2.106309|1.995415|1.753308|1.653921|1.736803|1.965670|2.141475|2.546828|0.070181|2.909427|3.736324|3.811341|4.765434|7.057389|6.712721|4.569810|5.264585|16.433574|17.568541|7.541380|3.268978|2.795313|2.342705|2.228109|2.458738|2.989052|3.953329|2.316694|3.434014|1.759977|2.847198|1.625345|2.646395|1.404210|0.075916|0.085717|0.066802|0.064563|0.057863|0.062340|0.053230|0.046160|0.056235|0.078299|0.074592|0.088638|0.224021|0.115646|0.099485|0.500000| |2.534745|3.238539|0.071560|2.049978|1.881116|1.805997|1.601629|1.528373|1.616966|1.823069|1.952255|2.301270|0.065185|2.537130|3.177734|3.422627|4.417194|5.902898|4.905873|3.612648|4.174049|17.012404|17.670947|7.792324|3.369311|2.953924|2.450574|2.286451|2.474062|2.986171|3.924961|2.256302|3.512039|1.819223|2.681420|1.548222|2.460859|1.302417|0.070456|0.080258|0.063556|0.057951|0.053401|0.054496|0.047912|0.042104|0.052753|0.066800|0.066251|0.082398|0.146337|0.089633|0.078300|0.299927|0.500000| |3.114913|3.901430|0.088069|2.434395|2.178751|2.043733|1.780178|1.671364|1.757034|2.003311|2.201031|2.658824|0.074642|2.898498|3.717013|3.782449|4.724706|7.013510|6.700742|4.554332|5.286100|16.428117|17.563296|7.481338|3.231714|2.894748|2.389512|2.200253|2.346207|2.810440|3.706876|2.104831|3.386511|1.767255|2.867861|1.636979|2.662896|1.411653|0.088743|0.099773|0.075714|0.070032|0.062637|0.063321|0.055137|0.046809|0.057386|0.076367|0.073069|0.087936|0.225126|0.118328|0.094775|0.298329|0.300047|0.500000| |3.230401|3.954321|0.078621|2.390173|2.166209|2.272975|2.014714|2.024078|2.312471|2.718921|2.687889|3.195532|0.103806|3.280054|3.824227|5.084610|5.647956|4.304455|3.472126|3.327809|3.682199|7.245973|3.188650|12.985867|8.985805|17.739296|8.839892|5.624765|4.933232|5.640350|6.515261|3.136694|7.426449|3.898239|3.937484|2.448182|3.208648|1.616832|0.079834|0.107153|0.088990|0.062492|0.065766|0.059204|0.054009|0.050670|0.086464|0.077354|0.093186|0.153434|0.083034|0.070266|0.069063|0.078657|0.084992|0.085106|0.500000| |2.519354|3.227171|0.063188|2.040462|1.913836|2.071204|1.903372|1.979749|2.301926|2.610259|2.432902|2.687551|0.085833|2.718348|2.893528|3.566094|3.572975|2.888065|2.501178|2.501070|2.915656|4.893905|2.302232|7.522185|5.694000|8.931062|17.765993|8.956616|5.628279|4.963722|7.599767|3.330276|12.571429|7.485321|4.105524|2.673233|3.205778|1.599424|0.062652|0.078201|0.071759|0.052757|0.057063|0.051859|0.048411|0.047821|0.084621|0.065759|0.080996|0.115055|0.061616|0.055491|0.056442|0.059191|0.062386|0.061404|0.214929|0.500000| |2.497557|3.451794|0.072865|2.131390|2.073863|2.184097|1.970450|1.985455|2.233603|2.550786|2.515927|2.882150|0.083861|3.462432|4.087840|5.469994|6.021485|4.559025|3.687362|3.545543|3.868091|7.517928|3.314485|13.094662|8.949211|5.670651|4.964756|5.609276|8.900644|17.772481|12.527182|7.464599|7.575111|3.323950|3.826752|2.342707|3.183076|1.615260|0.063090|0.078647|0.065460|0.055965|0.056099|0.059515|0.051543|0.049943|0.078672|0.086322|0.104882|0.163632|0.087618|0.072614|0.077666|0.090150|0.087363|0.080913|0.124772|0.107797|0.500000| |1.790100|2.522691|0.052235|1.648867|1.662913|1.787184|1.695513|1.764324|1.968761|2.111205|1.993458|2.102692|0.059999|2.394977|2.497308|2.867568|2.842731|2.459476|2.220795|2.233215|2.677307|4.193022|2.063405|5.517033|3.622412|3.187190|3.419786|4.414195|5.900457|4.918701|17.015656|17.659538|7.794587|3.358087|3.545352|2.202251|2.939958|1.498914|0.045905|0.053573|0.048321|0.043225|0.044112|0.047386|0.042391|0.043506|0.064074|0.062870|0.074172|0.087491|0.056057|0.050925|0.055436|0.057470|0.055984|0.052415|0.075138|0.082163|0.145958|0.500000| |1.917642|2.665082|0.055732|1.715491|1.702006|1.800120|1.677463|1.716417|1.907218|2.087619|2.016335|2.192286|0.062928|2.526141|2.762677|3.286381|3.441974|2.952077|2.565926|2.498503|2.919448|5.141113|2.474697|7.022144|4.604341|3.773210|3.834692|4.798782|7.106916|6.761492|16.443413|17.566605|7.599038|3.286583|3.364917|2.068456|2.826423|1.447289|0.049307|0.058376|0.051205|0.045300|0.045654|0.048694|0.043171|0.043070|0.063396|0.065615|0.076662|0.098003|0.064363|0.055847|0.059792|0.068563|0.067659|0.061470|0.087450|0.089033|0.222394|0.299810|0.500000| |2.096333|2.992968|0.062625|1.916084|1.933385|2.079103|1.936382|1.995006|2.241531|2.464090|2.353242|2.536897|0.071913|3.019570|3.207127|3.776142|3.671394|3.074092|2.754028|2.797875|3.267888|5.072579|2.433450|6.964586|4.557605|3.715703|3.762358|4.699142|6.992252|6.727991|16.429482|17.552961|7.453099|3.206071|3.947252|2.432255|3.261407|1.652319|0.053241|0.063438|0.055807|0.049987|0.050626|0.055626|0.048585|0.049256|0.075166|0.078564|0.095239|0.116359|0.067967|0.061218|0.067987|0.068256|0.064652|0.061223|0.086173|0.087381|0.226041|0.300038|0.298723|0.500000| |2.111652|2.799531|0.054536|1.828778|1.765260|1.951083|1.851429|1.983106|2.326070|2.527397|2.261144|2.360829|0.073398|2.372320|2.390287|2.782405|2.670182|2.241096|2.024139|2.074500|2.501364|3.777490|1.839631|5.269373|3.723494|4.544221|6.704180|6.985503|4.693564|3.754225|7.441794|3.202206|16.427771|17.549623|4.347991|2.946880|3.285974|1.627381|0.052877|0.063098|0.060788|0.046993|0.051497|0.047650|0.045174|0.046581|0.081782|0.058830|0.072357|0.089815|0.050671|0.047528|0.049425|0.048486|0.049854|0.049232|0.112246|0.227086|0.087136|0.083546|0.081854|0.082933|0.500000| |1.928820|2.532792|0.050070|1.655263|1.589706|1.719601|1.624487|1.709728|1.956476|2.124496|1.960973|2.081785|0.063880|2.127030|2.210497|2.595567|2.608758|2.218911|1.967982|1.963904|2.356898|3.851569|1.878815|5.357052|3.785585|4.594110|6.742703|7.117228|4.809126|3.834411|7.619479|3.290892|16.444008|17.562451|3.591029|2.341383|2.842390|1.431659|0.049032|0.058128|0.054756|0.043147|0.046259|0.043326|0.040847|0.041344|0.067034|0.053272|0.063696|0.081263|0.049670|0.045303|0.046498|0.049241|0.051774|0.049823|0.113041|0.222304|0.088991|0.085748|0.087527|0.082013|0.298805|0.500000| |1.799111|2.414493|0.047669|1.597656|1.562056|1.711818|1.643475|1.757863|2.021310|2.148302|1.942523|2.008807|0.060798|2.058779|2.081116|2.389427|2.333000|1.999830|1.811730|1.839775|2.238572|3.424960|1.690409|4.620337|3.194630|3.612300|4.907211|5.896907|4.413937|3.416316|7.792624|3.356429|17.015615|17.656871|3.801617|2.524374|2.958037|1.482692|0.045700|0.053396|0.051147|0.041425|0.044645|0.042582|0.040279|0.041810|0.067682|0.052129|0.062640|0.075374|0.045866|0.042828|0.044699|0.044981|0.046256|0.044879|0.088764|0.146236|0.081992|0.091316|0.085599|0.083613|0.300081|0.299826|0.500000| |2.845690|4.140861|0.075564|2.852777|2.927562|3.733118|3.790586|4.737646|7.037023|6.708152|4.552978|3.847050|0.116243|3.405060|2.865958|2.899586|2.455554|2.140271|2.126873|2.403166|3.097809|3.377959|1.694454|4.172204|2.580549|2.741774|2.896916|2.852771|2.662768|2.544119|4.459952|2.251100|5.014877|2.783571|16.435556|17.561147|7.530677|3.239421|0.068595|0.077978|0.085880|0.068311|0.083405|0.074492|0.074323|0.088104|0.225171|0.085519|0.107148|0.092265|0.053251|0.056865|0.062282|0.045867|0.044106|0.046811|0.073636|0.081084|0.065392|0.059481|0.056840|0.065598|0.088605|0.069053|0.073150|0.500000| |2.692606|4.057198|0.076436|2.745996|2.918230|3.733659|3.789964|4.742775|7.046588|6.709400|4.556539|3.880284|0.111855|3.758656|3.095233|3.137606|2.608273|2.248812|2.234117|2.548020|3.259102|3.520453|1.756655|4.406609|2.750515|2.808297|2.969007|3.070675|2.986806|2.827568|5.141077|2.621976|5.399292|2.850880|16.434879|17.561963|7.537417|3.242597|0.065192|0.075037|0.077856|0.066191|0.076975|0.076971|0.073088|0.088017|0.224691|0.095693|0.126469|0.101805|0.055562|0.059172|0.066924|0.048093|0.045578|0.047919|0.073009|0.079891|0.073724|0.069537|0.064636|0.078152|0.087866|0.069569|0.075516|0.298345|0.500000| |2.312429|3.405786|0.064014|2.401553|2.547597|3.183646|3.418857|4.414630|5.902366|4.907078|3.608711|3.054220|0.087870|2.866758|2.444002|2.462218|2.127321|1.880792|1.872875|2.094851|2.733293|3.005384|1.524056|3.646797|2.251596|2.338806|2.500872|2.564061|2.442485|2.294087|4.260490|2.184218|4.658371|2.570421|17.014677|17.669314|7.812617|3.359148|0.057201|0.063448|0.067979|0.058707|0.068881|0.066335|0.066056|0.082179|0.146499|0.074915|0.090503|0.077174|0.047428|0.050582|0.055977|0.041668|0.039913|0.041836|0.061936|0.069375|0.060001|0.059076|0.054651|0.063597|0.079611|0.063287|0.069874|0.299993|0.300000|0.500000| |2.284409|3.665753|0.071003|3.003959|3.811146|4.567664|6.720348|7.057006|4.746263|3.796541|3.744400|2.924668|0.073407|2.726989|2.244866|2.027022|1.773086|1.688827|1.806857|2.082677|3.026567|2.685058|1.424548|2.883940|1.642051|1.619092|1.598071|1.598784|1.620796|1.642671|2.823141|1.559821|2.757997|1.487579|7.534269|3.242339|16.433387|17.568075|0.059588|0.058807|0.064349|0.074692|0.082959|0.099874|0.111721|0.224100|0.088175|0.081274|0.077131|0.057868|0.047537|0.056641|0.064663|0.039994|0.036764|0.039895|0.044215|0.043284|0.045357|0.042032|0.040634|0.046613|0.043686|0.038757|0.040054|0.081764|0.085086|0.084634|0.500000| 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