Version2.1 2021-01-11T16:28:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 28-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCC[C@@H](C[NH+](Cc1c(nn(c1Oc2cccc(c2)F)c3ccccc3)C)CC(C)C)O C36346211 RHF 6-31G(d) (6D,7F) CCCC[C@@H](C[NH+](Cc1c(nn(c1Oc2cccc(c2)F)c3ccccc3)C)CC(C)C)O C01[X(C27H37F1N3O2)] 204 C1 569 CCCC[C@@H](C[NH+](Cc1c(C)nn(c1Oc1cccc(c1)F)c1ccccc1)CC(C)C)O CCCC[C@@H](C[NH+](Cc1c(C)nn(c1Oc1cccc(c1)F)c1ccccc1)CC(C)C)O CCCC[C@H](O)C[NH+](CC(C)C)Cc1c(C)nn(c2ccccc2)c1Oc3cccc(F)c3 InChIKey=DINYZNJWZXOZFM-DEOSSOPVSA-O InChI=1S/C27H36FN3O2/c1-5-6-14-24(32)18-30(17-20(2)3)19-26-21(4)29-31(23-12-8-7-9-13-23)27(26)33-25-15-10-11-22(28)16-25/h7-13,15-16,20,24,32H,5-6,14,17-19H2,1-4H3/p+1/t24-/m0/s1 InChI=1/C27H36FN3O2/c1-5-6-14-24(32)18-30(17-20(2)3)19-26-21(4)29-31(23-12-8-7-9-13-23)27(26)33-25-15-10-11-22(28)16-25/h7-13,15-16,20,24,32H,5-6,14,17-19H2,1-4H3/p+1/t24-/m0/s1/fC27H37FN3O2/h30H/q+1 CCCC[C@@H](C[NH+](Cc1c(nn(c1Oc2cccc(c2)F)c3ccccc3)C)CC(C)C)O C01[X(C27H37F1N3O2)] 204 C01 569 CCCC[C@@H](C[NH+](Cc1c(C)nn(c1Oc1cccc(c1)F)c1ccccc1)CC(C)C)O CCCC[C@@H](C[NH](C[C]1[C]([N][N@@]([C]1O[C]1[CH][CH][CH][C]([CH]1)F)[C]1[CH][CH][CH][CH][CH]1)C)CC(C)C)O CCCC[C@H](O)C[NH](C[C]1[C](C)[N]N([C]2[CH][CH][CH][CH][CH]2)[C]1O[C]3[CH][CH][CH][C](F)[CH]3)CC(C)C InChIKey=SWBHVQCRUNFGII-DEOSSOPVSA-N InChI=1S/C27H37FN3O2/c1-5-6-14-24(32)18-30(17-20(2)3)19-26-21(4)29-31(23-12-8-7-9-13-23)27(26)33-25-15-10-11-22(28)16-25/h7-13,15-16,20,24,30,32H,5-6,14,17-19H2,1-4H3/t24-/m0/s1 InChI=1/C27H37FN3O2/c1-5-6-14-24(32)18-30(17-20(2)3)19-26-21(4)29-31(23-12-8-7-9-13-23)27(26)33-25-15-10-11-22(28)16-25/h7-13,15-16,20,24,30,32H,5-6,14,17-19H2,1-4H3/t24-/m0/s1 3472.5516938960 -1456.2788364 1-A 19741.2363 122 447 569 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 12.2555 16.3874 20.8849 27.3969 30.6460 34.2991 37.2699 41.2390 48.1026 60.4394 68.4114 78.3893 81.6390 103.0329 108.3138 122.2846 134.2804 144.5706 156.2009 171.4526 206.1762 217.7546 240.7803 247.4035 261.6081 264.1691 265.4214 267.5364 268.8550 297.4082 307.1325 314.3307 337.1664 345.3721 346.9976 352.0289 387.9234 414.8202 432.1514 444.4190 458.2032 461.6770 486.3284 489.5787 502.5522 506.8710 523.2237 543.0934 563.5217 566.6109 617.5816 625.8523 669.0246 673.2998 679.6995 693.0447 732.1479 755.4179 762.2103 769.2339 775.6240 790.5829 846.5644 856.6125 863.6460 874.1567 877.4919 885.8700 916.0299 923.1789 947.0944 951.0497 961.3537 967.4745 987.6458 1000.1253 1003.8972 1018.3848 1024.3872 1046.9240 1048.7035 1053.4351 1060.2080 1062.8935 1081.4233 1092.9568 1093.7231 1103.7267 1105.6435 1113.9113 1115.6111 1125.4643 1134.0185 1136.5029 1139.5544 1157.5396 1174.1189 1181.9119 1184.6116 1195.7633 1205.4065 1219.6729 1224.6097 1240.2609 1246.3486 1261.1809 1276.9731 1282.5853 1298.2012 1299.0203 1307.3856 1317.5735 1330.3147 1335.4083 1349.9316 1361.9737 1376.5875 1397.4020 1409.7238 1423.3971 1437.5800 1439.8213 1449.9721 1459.9534 1467.2559 1470.3496 1475.5596 1480.2339 1499.8172 1519.1419 1532.6409 1540.1530 1547.9110 1559.5463 1561.6591 1566.1436 1571.2084 1571.7157 1583.5879 1585.9277 1598.7693 1610.4338 1614.6099 1619.3218 1623.1829 1627.5354 1628.4454 1629.2537 1634.3404 1640.9736 1641.6301 1641.8998 1643.7743 1644.1615 1648.2100 1651.1129 1654.5714 1655.0436 1664.6821 1669.5555 1676.6452 1710.1020 1774.0480 1797.1506 1807.1535 1809.6386 1810.1404 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3.6839 84.5807 51.0303 0.4741 1.0033 4.0523 20.0632 70.3973 3.7757 21.3614 3.8691 7.2846 1.1736 68.1997 56.9788 15.8870 3.4864 24.7544 51.5392 1.3899 10.4617 10.7277 9.5061 8.2653 2.3334 6.8503 70.3831 25.2765 23.0225 7.3604 9.0246 22.4163 27.0510 98.0013 8.9179 34.1356 20.0973 33.0621 96.3153 0.6284 12.3694 18.0711 19.5973 2.3240 7.5899 10.6781 7.2591 7.8731 1.6188 1.8618 24.2789 33.1731 45.0989 24.9625 141.2109 130.7209 187.4835 207.7563 56.7477 45.9428 143.0700 76.9444 16.5450 8.0359 19.8668 21.9797 56.2835 33.1838 16.5600 25.6005 8.6971 14.5004 6.1011 34.4003 22.5856 21.9673 93.9042 19.0076 32.1430 40.6008 2.7718 6.8946 17.1587 40.4791 5.4276 5.8224 7.1557 7.7799 0.3846 5.7698 5.5214 24.5635 10.2089 2.3466 1.6938 0.5146 0.5270 66.4595 105.9545 0.5163 4.3885 0.3125 1.6614 2.0128 3.9862 4.3795 1.1011 0.6385 0.9783 1.0396 0.6103 0.8768 0.2262 0.7133 0.2733 1.3495 1.0598 0.2788 0.5200 1.0339 5.3148 0.8729 0.7869 0.0417 3.3516 0.5178 1.0881 2.4180 1.4665 2.1775 0.6992 0.7323 0.9092 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 10931.5356 27843.0227 30888.9946 0.99994 -0.00618 0.00935 0.00613 0.99997 0.00455 -0.00938 -0.00449 0.99995 1 0.00792 0.00311 0.00280 0.16509 0.06482 0.05843 17.63 23.58 30.05 39.42 44.09 49.35 53.62 59.33 69.21 86.96 98.43 112.78 117.46 148.24 155.84 175.94 193.20 208.00 224.74 246.68 296.64 313.30 346.43 355.96 376.40 380.08 381.88 384.93 386.82 427.90 441.90 452.25 485.11 496.91 499.25 506.49 558.14 596.83 621.77 639.42 659.25 664.25 699.72 704.39 723.06 729.27 752.80 781.39 810.78 815.23 888.56 900.46 962.58 968.73 977.94 997.14 1053.40 1086.88 1096.65 1106.76 1115.95 1137.47 1218.02 1232.47 1242.59 1257.72 1262.52 1274.57 1317.96 1328.25 1362.66 1368.35 1383.17 1391.98 1421.00 1438.96 1444.38 1465.23 1473.86 1506.29 1508.85 1515.66 1525.40 1529.27 1555.93 1572.52 1573.62 1588.02 1590.77 1602.67 1605.12 1619.29 1631.60 1635.17 1639.56 1665.44 1689.30 1700.51 1704.39 1720.44 1734.31 1754.84 1761.94 1784.46 1793.22 1814.56 1837.28 1845.35 1867.82 1869.00 1881.04 1895.69 1914.03 1921.35 1942.25 1959.58 1980.60 2010.55 2028.28 2047.95 2068.36 2071.58 2086.19 2100.55 2111.05 2115.51 2123.00 2129.73 2157.90 2185.71 2205.13 2215.94 2227.10 2243.84 2246.88 2253.33 2260.62 2261.35 2278.43 2281.80 2300.27 2317.06 2323.06 2329.84 2335.40 2341.66 2342.97 2344.13 2351.45 2360.99 2361.94 2362.33 2365.02 2365.58 2371.41 2375.58 2380.56 2381.24 2395.11 2402.12 2412.32 2460.46 2552.46 2585.70 2600.09 2603.67 2604.39 4575.58 4599.83 4609.75 4611.54 4612.02 4612.66 4614.77 4616.69 4619.56 4629.87 4648.38 4679.18 4690.16 4698.86 4702.76 4705.57 4710.64 4719.76 4722.83 4731.20 4732.60 4742.23 4778.22 4805.90 4823.92 4827.63 4853.68 4868.79 4875.23 4884.87 4899.12 4901.19 4904.18 4909.95 4914.71 5322.32 5915.83 0.650093 0.682164 0.683108 0.580925 -1455.628744 -1455.596673 -1455.595728 -1455.697912 3.427268D-04 MUNgauss RevisionA2.0 retrievium 11-Jan-2021 DUDE CCCC[C@@H](C[NH+](Cc1c(nn(c1Oc2cccc(c2)F)c3ccccc3)C)CC(C)C)O C36346211 RHF 6-31G(d) (6D,10F) C1 454.286981 |X|Y|Z| 115.955048 62.275150 49.167331 70.809853 18 6 7 8 15 2 1 |36.858105| |12.470192|36.858105| |7.480827|12.444109|36.858105| |4.868116|7.476805|12.435238|36.858105| |3.730818|4.859371|7.441256|12.474608|36.858105| |3.665490|4.560273|6.890012|8.887274|17.523926|0.500000| |2.978160|3.768128|4.888007|7.588987|12.481020|0.245231|36.858105| |2.506323|2.994174|3.768173|4.962419|7.619242|0.187161|12.714591|53.358707| |2.561600|3.018578|3.872573|4.888459|7.694795|0.186386|9.429954|25.701883|0.500000| |2.335530|2.716182|3.366759|4.139155|5.939434|0.176937|7.622264|17.078682|0.257519|36.858105| |2.071271|2.331947|2.832540|3.272410|4.401359|0.130646|5.010329|10.340379|0.204891|12.804167|36.858105| |2.064301|2.271185|2.770545|3.050777|4.026312|0.121936|4.123396|7.576131|0.171097|7.263335|13.379953|36.858105| |1.818065|1.971381|2.338704|2.535255|3.178139|0.093907|3.291172|5.798951|0.127754|5.176420|8.503831|14.700822|53.358707| |1.698978|1.856609|2.169769|2.397055|2.962235|0.085957|3.226124|5.777275|0.120413|5.229901|8.690778|8.979348|19.259257|53.358707| |1.806322|2.009780|2.364941|2.693643|3.401645|0.098240|3.913645|7.455195|0.145612|7.403876|13.876546|8.683022|11.760480|19.459872|36.858105| |1.687957|1.885076|2.173782|2.500217|3.052968|0.086248|3.644222|6.636727|0.123049|6.041035|7.760469|5.419697|7.468591|11.116005|14.241661|73.516695| |1.634456|1.823610|2.074346|2.378647|2.828800|0.081034|3.363149|5.671711|0.102445|5.283508|5.853542|4.329549|5.836966|7.759530|8.022458|24.574471|36.858105| |1.527575|1.704658|1.904361|2.186052|2.522388|0.070819|3.020427|4.866856|0.087944|4.128901|4.261625|3.350609|4.541899|5.726487|5.313900|14.503512|13.760686|36.858105| |1.458175|1.619652|1.784005|2.028274|2.283321|0.064590|2.681674|4.105311|0.074590|3.459254|3.446719|2.824238|3.806598|4.571748|4.010574|9.385926|7.994616|13.772790|36.858105| |1.476327|1.631640|1.795678|2.020248|2.265167|0.065383|2.601397|3.904924|0.071268|3.405043|3.369185|2.808371|3.755802|4.398227|3.789040|8.168238|6.876623|7.892380|13.732207|36.858105| |1.572654|1.736012|1.937722|2.172234|2.484129|0.073262|2.818996|4.303972|0.078672|3.988117|4.030207|3.326357|4.413288|5.173005|4.515600|9.265989|8.057179|6.934295|8.050095|13.851954|36.858105| |1.662939|1.843890|2.097707|2.371403|2.804566|0.082953|3.220010|5.204524|0.094856|5.142201|5.569034|4.318917|5.719880|7.084955|6.703893|13.962803|13.783265|7.887702|6.860513|7.860266|13.770129|36.858105| |1.568268|1.715144|1.903941|2.096985|2.366145|0.070988|2.599380|3.851921|0.071504|3.550841|3.556262|3.082419|4.068469|4.543543|3.778088|7.146511|5.346610|4.681006|5.324228|8.178720|14.404348|8.226015|97.533100| |1.509260|1.632239|1.869770|2.039833|2.434835|0.069792|2.634634|4.488336|0.093127|3.808691|5.302095|5.482930|10.783502|18.131600|7.637942|11.529558|4.966673|3.972268|3.223410|3.057698|3.467333|4.461552|6.874347|36.858105| |1.449131|1.555527|1.772741|1.913220|2.257036|0.063854|2.403479|4.023487|0.085742|3.224262|4.252406|4.637013|8.837532|10.716662|5.365753|8.402780|3.747927|3.212927|2.679158|2.525653|2.775420|3.383155|5.624894|13.751608|36.858105| |1.311486|1.398192|1.570979|1.682596|1.942194|0.054759|2.060475|3.343851|0.070465|2.639535|3.281956|3.482370|6.084312|7.031876|3.997374|6.748186|3.211952|2.887214|2.474938|2.330115|2.501878|2.929058|5.117916|7.974736|13.773162|36.858105| |1.241394|1.322977|1.475078|1.581194|1.807870|0.051200|1.929446|3.088563|0.063796|2.473093|3.006936|3.083976|5.196340|6.189725|3.705165|6.577053|3.295176|3.020428|2.632939|2.484515|2.641797|3.032007|5.394315|6.904254|7.931977|13.737842|36.858105| |1.279395|1.370101|1.530679|1.651613|1.896940|0.054157|2.044516|3.287020|0.066727|2.711304|3.320296|3.302327|5.525155|7.000080|4.256849|7.790070|4.032542|3.621885|3.141302|2.983538|3.215321|3.735066|6.463784|7.974750|6.866620|7.940586|13.760703|36.858105| |1.406260|1.517112|1.715446|1.867854|2.186656|0.062915|2.377600|3.923868|0.079210|3.358276|4.338265|4.238210|7.350201|10.616809|6.049908|10.726553|5.292223|4.337401|3.595823|3.435408|3.876805|4.861736|7.605623|13.774852|7.906261|6.866456|7.931468|13.748493|36.858105| |2.314942|2.513861|3.146439|3.321592|4.407499|0.138961|4.050273|6.731073|0.160065|5.804032|7.237166|12.705875|10.663219|7.289985|5.196136|6.825814|3.302124|2.698831|2.365438|2.386586|2.780296|3.386714|6.020655|3.955011|3.620147|2.885925|2.570051|2.684913|3.247101|36.858105| |2.170913|2.556739|3.041336|3.873130|5.026853|0.123657|7.640996|17.212892|0.257575|7.609665|6.084882|4.516280|5.214788|5.590424|5.351363|9.579710|4.460146|4.051748|3.292642|2.972164|3.139779|3.763691|6.114842|3.346394|3.029095|2.547455|2.362096|2.505152|2.955908|3.829560|36.858105| |2.137481|2.502518|2.926786|3.646622|4.445384|0.105322|5.928662|10.157839|0.203495|4.947568|4.436096|3.733429|4.497466|4.682194|4.069971|7.212362|3.403902|3.224065|2.702201|2.439859|2.527214|2.929401|5.031116|2.948729|2.814639|2.413193|2.205509|2.269663|2.590753|3.346225|12.427756|36.858105| |2.083982|2.379881|2.808132|3.319279|4.087468|0.099435|4.770465|8.368634|0.201156|4.474044|4.456254|4.072663|4.999674|5.015241|4.092722|6.822587|3.116737|2.877737|2.416521|2.212803|2.326793|2.723838|4.694302|3.168417|3.151424|2.657380|2.350230|2.358969|2.680735|3.698458|7.478938|12.425246|36.858105| |1.860266|2.144048|2.415062|2.915927|3.336545|0.082082|4.245007|6.720663|0.130317|3.838877|3.589701|3.058391|3.871126|4.172865|3.559276|6.760432|3.271983|3.289065|2.760876|2.419055|2.424475|2.747540|4.775402|2.764131|2.664174|2.352634|2.182121|2.236953|2.496005|2.714625|7.684919|12.421548|7.542320|36.858105| |3.476457|4.244605|6.202590|7.768923|13.522722|0.258620|8.214926|9.710638|0.251211|5.306280|4.411318|4.305060|4.633130|4.194976|3.426571|5.343405|2.687011|2.391567|2.133978|2.091076|2.285654|2.613474|4.869437|2.534987|2.407238|2.054153|1.876151|1.936418|2.222913|4.913271|4.964294|4.812872|4.902241|3.478761|73.516695| |17.571339|8.796968|5.463395|4.046570|3.165148|0.085959|2.640046|3.052782|0.063143|2.097243|1.871054|1.855217|2.249472|2.120408|1.653791|2.774481|1.520148|1.433330|1.377010|1.393555|1.473281|1.544622|3.309922|1.396496|1.343368|1.224222|1.163716|1.198467|1.309608|2.048799|1.983436|1.962961|1.903681|1.736638|5.252961|0.500000| |17.544420|8.772684|6.776606|4.494959|3.621566|0.103290|2.881196|3.347056|0.069661|2.350006|2.093594|2.102409|2.516888|2.339530|1.820843|3.008626|1.646851|1.529977|1.465619|1.496565|1.605444|1.694083|3.635547|1.524267|1.457491|1.318393|1.250850|1.293140|1.423816|2.381763|2.110239|2.044468|2.000963|1.781151|5.929985|0.301960|0.500000| |17.543521|8.772425|6.769972|4.498051|3.606143|0.097269|2.867941|3.352504|0.071191|2.275670|2.049110|2.069536|2.490300|2.310602|1.789204|2.956667|1.595201|1.488401|1.412367|1.423078|1.516406|1.613723|3.389103|1.511447|1.463253|1.324126|1.246309|1.276535|1.399784|2.344093|2.141309|2.141122|2.126431|1.857634|6.304012|0.302004|0.301443|0.500000| |8.858319|17.522311|8.864417|6.878484|4.556186|0.121910|3.708420|3.972381|0.079731|2.696804|2.288884|2.197266|2.602516|2.476167|1.983845|3.339484|1.842246|1.730371|1.659849|1.682254|1.784939|1.875545|3.987829|1.602083|1.515289|1.365858|1.301700|1.356322|1.502377|2.392977|2.509760|2.411261|2.251150|2.092107|6.735464|0.213141|0.210639|0.172913|0.500000| |8.857420|17.523581|8.860761|6.895267|4.528870|0.112468|3.682178|3.983073|0.082068|2.587895|2.232342|2.160919|2.574240|2.442943|1.944024|3.270247|1.771718|1.671664|1.584472|1.580822|1.666055|1.769372|3.671894|1.587757|1.522120|1.372512|1.296910|1.337639|1.474791|2.356078|2.562915|2.573831|2.433730|2.218633|7.299455|0.213005|0.172907|0.210739|0.303804|0.500000| |6.922586|8.896082|17.497711|8.811894|6.742647|0.169113|4.497036|4.985153|0.108950|3.222855|2.798045|2.805557|3.237688|2.966075|2.340962|3.790886|2.004972|1.837152|1.707813|1.708072|1.842549|2.010687|4.056274|1.882755|1.806808|1.598932|1.488556|1.531319|1.710797|3.252603|2.982479|2.955177|2.934633|2.420303|12.096386|0.141234|0.170075|0.205311|0.174201|0.212550|0.500000| |6.873284|8.853776|17.502418|8.836288|6.880551|0.209316|4.567353|4.983523|0.104022|3.454078|2.920545|2.893755|3.301211|3.032534|2.417531|3.909393|2.114059|1.920264|1.807174|1.842104|2.011968|2.176100|4.504746|1.910207|1.798220|1.590637|1.497891|1.561927|1.757345|3.359620|2.908493|2.722936|2.635195|2.263417|9.984988|0.140587|0.203852|0.168745|0.212202|0.173758|0.302898|0.500000| |4.556422|6.928379|8.866490|17.515284|8.920987|0.212981|7.074140|6.273910|0.119442|4.041034|3.137969|2.862542|3.268976|3.141861|2.619742|4.399421|2.410514|2.233648|2.102407|2.111468|2.261000|2.428639|4.938392|1.974807|1.834083|1.622667|1.541072|1.622817|1.834274|3.039064|3.701834|3.374557|2.988604|2.786622|10.086955|0.109309|0.119816|0.111663|0.209573|0.173557|0.173441|0.210712|0.500000| |4.521203|6.807421|8.828840|17.532766|8.906910|0.174473|6.981246|6.394556|0.129664|3.737085|3.025887|2.811812|3.241856|3.099107|2.550265|4.272511|2.270601|2.120097|1.961176|1.926289|2.040560|2.221657|4.388506|1.961546|1.858881|1.643739|1.541504|1.599637|1.795335|2.997572|3.911906|3.900558|3.495008|3.123582|12.642578|0.108276|0.110921|0.119599|0.169205|0.205777|0.212242|0.173340|0.302441|0.500000| |2.868424|3.621302|4.482712|6.688889|8.755927|0.214383|17.620299|12.342883|0.183824|7.393031|4.712280|3.788659|4.192756|4.199063|3.791686|6.477380|3.529480|3.197403|2.897991|2.848530|3.083016|3.450546|6.409976|2.543291|2.285286|1.978283|1.881711|2.019364|2.349031|3.650537|6.540077|4.883805|3.912767|3.835678|10.329264|0.071559|0.078048|0.075100|0.103438|0.096934|0.109978|0.120357|0.203784|0.165129|0.500000| |2.923422|3.731555|4.612971|7.150931|8.917492|0.174332|17.669666|12.395839|0.212545|5.629218|4.153733|3.516171|3.979151|3.948240|3.447719|5.889098|3.050513|2.834992|2.525918|2.408196|2.543949|2.857192|5.254458|2.436068|2.262797|1.963531|1.837264|1.927730|2.207430|3.441673|7.589675|6.886377|5.110016|4.838974|12.864891|0.072952|0.076713|0.078761|0.101129|0.105968|0.120378|0.113867|0.181966|0.217409|0.301377|0.500000| |2.572803|2.999121|3.820066|4.632001|6.871840|0.237201|7.522131|12.372369|0.215282|17.648966|8.968155|6.734931|6.433683|6.086316|5.663474|8.293435|4.341146|3.493777|3.071813|3.132642|3.708683|4.552308|7.827399|3.361038|2.894904|2.407305|2.265167|2.470634|3.008408|6.280725|5.619203|4.114026|3.827738|3.251838|10.103171|0.063405|0.072952|0.069061|0.082997|0.077468|0.099707|0.112918|0.126317|0.110161|0.209650|0.147912|0.500000| |2.195284|2.556383|3.065782|3.783601|4.990481|0.145659|6.745171|12.396209|0.182264|17.630631|8.878290|5.493645|5.952469|6.440954|6.859929|11.627536|6.359942|4.954600|4.141371|4.069602|4.770456|6.159817|9.184952|3.621194|3.022338|2.530233|2.428048|2.709177|3.342916|4.454272|7.302325|4.625422|3.954600|3.824726|7.645388|0.055461|0.061310|0.058815|0.071899|0.068014|0.080117|0.087005|0.107306|0.096238|0.210097|0.146337|0.302645|0.500000| |1.491970|1.666040|1.854995|2.134451|2.451267|0.067588|2.954831|4.787476|0.087385|3.831807|3.970114|3.173332|4.339951|5.455391|4.938818|13.420005|8.948158|17.750553|8.861670|5.614727|4.986635|5.638894|8.334896|3.884197|3.253059|2.951111|3.058122|3.561485|4.129936|2.572912|4.215391|3.454926|3.061121|3.692686|4.197706|0.038963|0.041239|0.040563|0.046734|0.045773|0.050049|0.051424|0.060085|0.058316|0.085200|0.078890|0.089368|0.123364|0.500000| |1.381406|1.531147|1.667973|1.890159|2.092672|0.058607|2.446726|3.671489|0.067255|2.978690|2.940521|2.465623|3.333499|3.929971|3.352781|7.592435|5.676476|8.956842|17.734265|8.937406|5.699356|4.946853|9.624073|2.825169|2.420976|2.279370|2.431669|2.839764|3.129057|2.105760|2.987665|2.529808|2.254699|2.652996|3.490639|0.036443|0.038428|0.037175|0.043644|0.041853|0.044401|0.046650|0.054500|0.051250|0.073157|0.065204|0.074298|0.096933|0.214029|0.500000| |1.411001|1.551240|1.687524|1.881237|2.071343|0.059789|2.343775|3.429228|0.063144|2.924303|2.862709|2.452935|3.280892|3.745470|3.133928|6.489167|4.957291|5.610938|8.826547|17.756929|8.962753|5.626241|16.676212|2.636622|2.229904|2.088696|2.234178|2.641976|2.950099|2.137578|2.589898|2.175700|1.980278|2.168050|3.391725|0.037202|0.039796|0.037676|0.044650|0.041743|0.044476|0.048140|0.054940|0.049891|0.071446|0.060760|0.076503|0.095040|0.123193|0.212874|0.500000| |1.734340|1.912962|2.201409|2.459917|2.952969|0.089508|3.288638|5.348172|0.099550|5.570600|6.425908|5.132554|6.712250|8.013228|7.298661|12.414386|8.811606|5.601748|4.949761|5.634569|8.954151|17.761959|16.891136|4.749492|3.549326|3.007757|3.059575|3.732901|4.977049|3.953316|3.657431|2.868640|2.734850|2.617932|4.914102|0.044468|0.049429|0.046839|0.053809|0.050552|0.058782|0.064248|0.069420|0.063181|0.096582|0.079542|0.142565|0.172400|0.123613|0.107493|0.124549|0.500000| |1.516914|1.627179|1.867008|2.008674|2.386399|0.067080|2.511983|4.232390|0.092807|3.301168|4.357783|4.995515|9.496287|9.893002|5.132255|7.712905|3.408568|2.935489|2.460789|2.325172|2.551731|3.094178|5.218841|8.932647|17.750743|8.891451|5.636823|4.951417|5.641642|3.980332|3.151736|2.998552|3.504350|2.779396|4.635124|0.038911|0.042264|0.042817|0.043688|0.044307|0.053400|0.052407|0.052863|0.054370|0.065188|0.065884|0.082635|0.083717|0.083062|0.062140|0.057369|0.090945|0.500000| |1.267993|1.345144|1.504471|1.600537|1.831455|0.051334|1.925693|3.084887|0.065591|2.382562|2.891762|3.098604|5.240365|5.702209|3.378015|5.705332|2.751373|2.520962|2.192345|2.066472|2.196422|2.526000|4.540037|5.665588|8.944797|17.730333|8.907399|5.646757|4.949640|2.662148|2.350965|2.281999|2.547940|2.235763|3.474852|0.032941|0.035326|0.035718|0.036369|0.036802|0.042781|0.042157|0.042703|0.043665|0.051081|0.051423|0.060915|0.063156|0.072171|0.056816|0.052035|0.071944|0.214632|0.500000| |1.160913|1.231825|1.362683|1.453244|1.642256|0.046385|1.744775|2.747648|0.056686|2.173476|2.571969|2.630847|4.294134|4.926181|3.073060|5.522767|2.845107|2.682288|2.395117|2.265704|2.369892|2.645062|4.894066|4.969137|5.645568|8.912522|17.729248|8.921005|5.644653|2.254178|2.105274|1.991133|2.112288|1.991200|3.024549|0.030350|0.032472|0.032392|0.033695|0.033612|0.038208|0.038378|0.039420|0.039487|0.047391|0.046466|0.055816|0.059583|0.075845|0.062494|0.057460|0.073582|0.123980|0.214757|0.500000| |1.217793|1.301648|1.443195|1.554031|1.765499|0.050468|1.902728|3.006626|0.060452|2.478390|2.939191|2.880825|4.633071|5.673712|3.664351|6.902763|3.803017|3.542335|3.193106|3.063999|3.240315|3.605096|6.566822|5.667067|4.949773|5.645481|8.913172|17.730860|8.938839|2.396361|2.292326|2.076471|2.123357|2.066135|3.170213|0.031812|0.034233|0.033645|0.035960|0.035293|0.039918|0.040952|0.042712|0.041809|0.052740|0.049963|0.063336|0.069889|0.095683|0.081057|0.076387|0.098143|0.107517|0.124102|0.214857|0.500000| |1.431849|1.550012|1.751374|1.915536|2.241160|0.065069|2.454450|4.022201|0.079493|3.557524|4.506713|4.203987|6.855005|9.703023|6.299395|11.738007|6.493294|5.050228|4.225039|4.152312|4.878565|6.311712|9.344391|8.907247|5.632429|4.951466|5.645732|8.915012|17.749045|3.223825|3.000638|2.562627|2.580670|2.461712|3.969706|0.037056|0.040399|0.039343|0.042931|0.041688|0.048066|0.050092|0.052781|0.050807|0.068533|0.062709|0.088767|0.101204|0.125585|0.098668|0.096751|0.177155|0.124163|0.107518|0.124185|0.215595|0.500000| |2.434541|2.634161|3.313141|3.439088|4.504937|0.152181|4.013220|6.271550|0.140432|5.690656|6.370576|8.886210|8.300607|6.262145|4.637953|6.334711|3.214263|2.630412|2.354238|2.427735|2.867697|3.434811|6.371672|3.507029|3.149659|2.586837|2.366515|2.509892|3.016432|17.540616|3.519775|3.028094|3.203279|2.493040|8.298165|0.059575|0.070795|0.067651|0.070350|0.067313|0.093026|0.101835|0.088907|0.083868|0.103907|0.092957|0.190263|0.124614|0.068548|0.058065|0.060819|0.113600|0.092981|0.066215|0.058204|0.063330|0.085456|0.500000| |2.154921|2.288913|2.797148|2.870736|3.613126|0.110890|3.324463|5.347763|0.125509|4.412882|5.481213|8.989221|10.279225|6.762513|4.453141|6.035436|2.940414|2.445399|2.162111|2.181393|2.516542|3.010834|5.498464|3.899597|3.720585|2.985448|2.620371|2.683664|3.182025|17.622104|3.241283|2.943315|3.324201|2.454741|7.247304|0.053334|0.061707|0.061220|0.060297|0.059869|0.081433|0.082657|0.073177|0.073149|0.084158|0.081240|0.128932|0.100014|0.065222|0.053925|0.054744|0.096730|0.115888|0.077450|0.064051|0.066237|0.085899|0.301455|0.500000| |2.547877|2.799314|3.610058|3.828282|5.293352|0.161691|4.614771|7.575839|0.196587|5.793002|6.413760|8.848480|8.167539|6.183212|4.614013|6.344932|3.061173|2.566509|2.250425|2.242057|2.556189|3.060404|5.494272|3.480422|3.279270|2.657559|2.359696|2.433976|2.884779|17.549573|4.141232|3.728081|4.220653|2.917824|11.594656|0.061931|0.071964|0.072415|0.072680|0.073177|0.106416|0.105164|0.093805|0.096115|0.109932|0.109039|0.173693|0.121339|0.069005|0.056241|0.056059|0.095774|0.101673|0.069192|0.058082|0.060699|0.079169|0.301351|0.301079|0.500000| |1.974439|2.275831|2.678963|3.267298|4.164851|0.108187|5.645770|12.396410|0.211265|7.572297|7.165867|5.024437|6.007386|6.868764|7.017141|13.188511|5.486934|4.822213|3.689254|3.253792|3.459793|4.321267|6.563067|4.040511|3.567784|2.937366|2.714482|2.907733|3.510850|3.950800|17.667975|8.858449|6.900540|6.942214|7.463411|0.050316|0.053823|0.054269|0.062180|0.062883|0.073456|0.072543|0.087435|0.090143|0.143128|0.148859|0.148657|0.206039|0.141955|0.091302|0.077138|0.115081|0.101834|0.074016|0.066197|0.072919|0.098468|0.099110|0.093733|0.113939|0.500000| |2.141473|2.543724|2.959440|3.822824|4.688588|0.116289|7.406416|12.445094|0.182838|6.653415|5.072600|3.812671|4.490718|4.873141|4.635619|8.861385|4.499162|4.297004|3.566710|3.186328|3.283575|3.810013|6.342021|3.003217|2.696263|2.321602|2.200342|2.359066|2.753280|3.301980|17.600921|8.750706|5.455832|7.101178|7.649762|0.054823|0.057771|0.057941|0.070693|0.071021|0.078748|0.078545|0.105961|0.107661|0.201839|0.212168|0.143877|0.205684|0.123704|0.090690|0.077314|0.099736|0.076344|0.059520|0.054988|0.060983|0.079132|0.087296|0.078603|0.097225|0.302381|0.500000| |2.340036|2.795033|3.262383|4.189450|4.918012|0.110848|6.541013|9.314249|0.187279|4.479461|3.851123|3.334596|3.976212|4.037926|3.445028|6.040378|2.973420|2.837648|2.454697|2.254054|2.329804|2.642987|4.717595|2.562695|2.456062|2.136225|1.966831|2.021587|2.283921|3.132920|8.844190|17.539535|8.898162|8.936120|9.409613|0.059629|0.061289|0.065081|0.074310|0.081348|0.091464|0.081987|0.105917|0.130922|0.144552|0.244449|0.109119|0.116665|0.083018|0.064370|0.056598|0.072366|0.072585|0.056553|0.049790|0.051873|0.063193|0.080317|0.076728|0.098657|0.173944|0.209719|0.500000| |1.909686|2.149344|2.517557|2.914727|3.585443|0.090978|4.143573|7.578360|0.177005|4.472351|4.846958|4.454320|5.711282|5.896331|4.719518|7.823929|3.411116|3.114192|2.558119|2.320789|2.448647|2.915552|4.890184|3.747492|3.783516|3.115852|2.700176|2.688912|3.078620|3.824875|6.853297|8.755760|17.542058|6.754840|7.409885|0.048636|0.051491|0.054000|0.056936|0.060376|0.072607|0.066975|0.074261|0.083172|0.098387|0.117428|0.104066|0.110361|0.093051|0.065888|0.057201|0.081231|0.118739|0.082450|0.066552|0.066154|0.080735|0.090312|0.096794|0.116646|0.207255|0.140403|0.173332|0.500000| |2.000197|2.261899|2.610272|3.017182|3.527215|0.085952|3.956836|6.323919|0.146508|3.576224|3.565341|3.364080|4.252536|4.250713|3.360223|5.716727|2.688604|2.540445|2.173006|1.991186|2.068949|2.373349|4.209632|2.790954|2.845027|2.467016|2.185268|2.161914|2.399630|3.149208|5.476058|8.828617|17.582948|7.007151|7.489664|0.051154|0.052942|0.057134|0.059137|0.065128|0.076553|0.067410|0.075520|0.090115|0.092518|0.121008|0.087985|0.090191|0.075562|0.057135|0.050054|0.065923|0.087864|0.066943|0.055297|0.054424|0.063838|0.076895|0.080914|0.099010|0.141809|0.122816|0.212367|0.302043|0.500000| |2.288233|2.615064|3.175210|3.723684|4.768069|0.114639|5.199958|9.039458|0.250803|4.746367|4.702358|4.512016|5.318274|5.052467|4.054272|6.428917|2.972585|2.684471|2.285760|2.137468|2.283980|2.678669|4.678037|3.113397|3.092151|2.582828|2.273922|2.284238|2.611349|4.320557|6.612193|8.672750|17.542675|5.462475|11.236606|0.057308|0.061064|0.065419|0.067683|0.073741|0.094192|0.082627|0.090229|0.107633|0.113787|0.149376|0.116597|0.111032|0.077348|0.058836|0.053338|0.076384|0.096923|0.068889|0.056713|0.057081|0.070062|0.101799|0.106494|0.145361|0.165422|0.136500|0.213043|0.300425|0.304414|0.500000| |1.849748|2.147123|2.385158|2.910837|3.247029|0.080088|4.223131|6.302692|0.116641|3.692471|3.333918|2.804720|3.535726|3.830325|3.305598|6.441425|3.264013|3.386044|2.896118|2.517654|2.478354|2.752384|4.866510|2.547772|2.417355|2.160581|2.042096|2.119618|2.357453|2.505862|7.008159|8.731378|5.473459|17.554263|5.761929|0.048266|0.049157|0.050808|0.058962|0.061863|0.065302|0.062051|0.079141|0.086852|0.110613|0.135764|0.087802|0.106398|0.105685|0.078350|0.062997|0.071768|0.068896|0.056808|0.052071|0.055106|0.065643|0.065234|0.062784|0.074097|0.170558|0.214335|0.213133|0.138563|0.142169|0.121929|0.500000| |1.808986|2.068072|2.298726|2.721726|3.027359|0.074328|3.660753|5.531388|0.111638|3.229326|3.070524|2.721289|3.486490|3.689670|3.036652|5.653012|2.775827|2.796298|2.403953|2.132092|2.132661|2.383787|4.263016|2.492590|2.460344|2.207033|2.038607|2.057673|2.255095|2.476879|5.549792|8.812252|6.915774|17.586582|5.731087|0.047148|0.047806|0.050553|0.055652|0.060099|0.064738|0.059382|0.071631|0.082283|0.091581|0.117075|0.078424|0.088188|0.086475|0.064886|0.053772|0.063674|0.071920|0.059189|0.052213|0.052943|0.061247|0.063182|0.063238|0.074396|0.141537|0.143562|0.214934|0.167354|0.211558|0.141783|0.302205|0.500000| |1.722220|1.958507|2.204554|2.608896|3.012316|0.076239|3.746229|6.194901|0.120840|3.782855|3.723722|3.158980|4.112846|4.577651|3.893647|7.663197|3.599544|3.661532|2.983691|2.559582|2.552562|2.925251|4.957734|3.091323|2.984408|2.634443|2.440550|2.498735|2.786476|2.721903|6.940337|8.754789|6.829481|17.543975|5.588525|0.044711|0.046212|0.047801|0.053240|0.055705|0.061422|0.058283|0.069689|0.075898|0.096030|0.112261|0.087758|0.105559|0.118495|0.079554|0.063111|0.076615|0.085655|0.069102|0.061515|0.063678|0.075560|0.068920|0.068933|0.079593|0.206154|0.174534|0.173693|0.199796|0.172778|0.138585|0.300977|0.302075|0.500000| 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