Version2.1 2021-01-18T15:50:52Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 07-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c(n2c(n1)nc(n2)C(F)(F)F)C)CC(=O)NCC3(CCCCC3)[NH+]4CCCCC4 C22621307 RHF 6-31G(d) (6D,7F) Cc1c(c(n2c(n1)nc(n2)C(F)(F)F)C)CC(=O)NCC3(CCCCC3)[NH+]4CCCCC4 C01[X(C22H32F3N6O1)] 186 C1 544 O=C(Cc1c(C)nc2n(c1C)nc(n2)C(F)(F)F)NCC1(CCCCC1)[NH+]1CCCCC1 O=C(Cc1c(C)nc2n(c1C)nc(n2)C(F)(F)F)NCC1(CCCCC1)[NH+]1CCCCC1 Cc1nc2nc(nn2c(C)c1CC(=O)NCC3(CCCCC3)[NH+]4CCCCC4)C(F)(F)F InChIKey=WMWAROMHRTYVIZ-UHFFFAOYSA-O InChI=1S/C22H31F3N6O/c1-15-17(16(2)31-20(27-15)28-19(29-31)22(23,24)25)13-18(32)26-14-21(9-5-3-6-10-21)30-11-7-4-8-12-30/h3-14H2,1-2H3,(H,26,32)/p+1 InChI=1/C22H31F3N6O/c1-15-17(16(2)31-20(27-15)28-19(29-31)22(23,24)25)13-18(32)26-14-21(9-5-3-6-10-21)30-11-7-4-8-12-30/h3-14H2,1-2H3,(H,26,32)/p+1/fC22H32F3N6O/h26,30H/q+1 Cc1c(c(n2c(n1)nc(n2)C(F)(F)F)C)CC(=O)NCC3(CCCCC3)[NH+]4CCCCC4 C01[X(C22H32F3N6O1)] 186 C01 544 O=C(Cc1c(C)nc2n(c1C)nc(n2)C(F)(F)F)NCC1(CCCCC1)[NH+]1CCCCC1 O=C(C[C]1[C](=[N][C]2[N][C]([N]N2C=1C)C(F)(F)F)C)NCC1(CCCCC1)[NH]1CCCCC1 CC1=N[C]2[N][C]([N]N2C(=C1CC(=O)NCC3(CCCCC3)[NH]4CCCCC4)C)C(F)(F)F InChIKey=CRRUTFMYAFKSFL-UHFFFAOYSA-N InChI=1S/C22H32F3N6O/c1-15-17(16(2)31-20(27-15)28-19(29-31)22(23,24)25)13-18(32)26-14-21(9-5-3-6-10-21)30-11-7-4-8-12-30/h30H,3-14H2,1-2H3,(H,26,32) InChI=1/C22H32F3N6O/c1-15-17(16(2)31-20(27-15)28-19(29-31)22(23,24)25)13-18(32)26-14-21(9-5-3-6-10-21)30-11-7-4-8-12-30/h30H,3-14H2,1-2H3,(H,26,32)/f/h26H 3481.4554573223 -1551.4555725 1-A 18506.9034 120 424 544 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.39511 -26.39246 -26.39175 -20.68255 -15.81164 -15.76899 -15.74188 -15.68685 -15.66462 -15.63575 -11.56754 -11.50230 -11.44735 -11.43317 -11.42619 -11.42404 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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| 6.6233 15.0085 20.5343 31.4107 44.0875 58.8068 75.0885 84.1443 97.2661 114.9680 121.3659 132.1235 134.1737 165.1224 175.2539 194.8958 202.3779 205.7429 217.9627 226.6673 259.6129 266.7746 284.3993 287.6302 312.6096 317.5992 320.1009 352.5830 371.9862 372.5604 378.7734 399.4831 409.8678 424.2041 454.7119 461.7147 471.4242 484.4725 490.2542 501.6455 528.5727 537.8126 558.1597 559.3287 566.0918 595.4318 601.9073 616.1099 630.9949 651.8604 670.8818 712.4541 719.4320 737.8363 773.3847 815.2569 827.0284 852.7534 860.0835 869.7035 880.6095 881.0584 893.5541 898.9443 911.9068 927.4672 948.3236 955.3264 967.4842 981.6560 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3272.8310 3274.2323 3280.8174 3281.5423 3284.5211 3292.7665 3300.5624 3301.4076 3306.4810 3342.0259 3353.9187 3363.5377 3363.6957 3380.3977 3504.5684 3880.0142 4.9569 6.5485 12.0515 5.6689 4.8082 4.3553 3.6393 4.0451 5.9195 3.6889 1.2578 4.3845 3.0352 2.8369 4.8649 3.6908 1.5225 3.3418 2.2370 4.1954 2.4863 3.3798 3.3567 4.0254 2.4552 2.3736 4.5143 3.1185 2.9321 3.9236 2.4395 2.0871 3.9969 3.6036 2.6390 5.9227 2.8677 8.8086 2.9307 3.0065 2.3849 1.5670 2.4131 2.5604 2.8076 2.6879 5.8767 7.1404 5.9303 2.8457 2.8207 6.1809 3.8689 4.3810 3.1253 3.8616 12.4139 2.7919 9.9581 1.5832 3.3750 1.5504 5.4894 3.4650 3.0999 1.9386 2.0182 3.1965 2.2070 2.5318 2.0683 2.8735 2.4270 1.4073 1.4600 1.9417 2.5002 2.2421 12.4542 2.1051 2.4984 2.1359 2.1504 1.9216 1.6417 1.8808 1.5944 2.4484 2.2546 2.2684 2.2408 1.5973 1.1253 6.3536 1.5343 1.9132 2.1030 1.8844 3.7091 1.6586 1.6453 2.4450 2.7953 9.4059 1.3726 4.8090 1.2741 3.9427 1.2523 1.2161 1.2734 1.2796 1.3666 5.9948 1.2981 1.3300 1.3717 2.8354 1.3945 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1.2762 1.7268 1.5738 8.8942 1.5384 1.8519 1.5941 1.6491 1.5070 1.3034 1.5085 1.2835 1.9803 1.8350 1.9552 1.9409 1.4063 1.0380 5.9923 1.4574 1.8685 2.1255 1.9365 3.8828 1.7370 1.8159 2.7298 3.1583 10.6942 1.5916 5.6019 1.4942 4.6856 1.4912 1.4719 1.5643 1.5969 1.7428 7.6805 1.6991 1.7599 1.8437 3.8454 1.9197 2.0512 1.9482 1.9999 2.2157 2.1781 2.0190 2.0039 1.9066 2.3279 1.8488 2.0063 1.6489 1.7476 1.7487 4.6654 1.7177 1.7161 1.6549 1.7234 1.7267 1.8207 1.7868 1.7816 1.7640 1.7910 1.7543 1.8032 1.7980 1.9909 12.5455 3.3136 15.5536 20.1112 19.8074 14.9589 6.4973 6.3203 6.5208 6.4994 6.5211 6.5093 6.4945 6.5307 6.4511 6.5963 6.6486 6.9006 6.8771 6.8631 6.8852 6.9027 6.9259 6.9565 6.9331 6.8024 6.9125 7.0352 7.0536 6.8550 7.0973 7.2344 7.2811 7.3458 7.3602 7.4097 7.8267 9.5766 0.5758 1.5838 0.0234 1.3006 1.3055 0.1275 0.1034 2.3400 4.5004 3.5972 0.8199 0.3172 2.3737 0.5585 0.4947 3.9832 0.1511 5.3790 0.3911 0.3322 4.3557 6.7977 0.6698 3.2144 1.3832 0.3763 0.8130 0.1966 2.4436 1.7213 10.7415 2.6170 5.9796 3.8822 7.0198 0.3939 0.7711 0.3005 1.0878 2.8239 2.6733 85.0191 2.2297 4.2848 21.4917 9.7185 6.7150 4.1880 6.7437 3.4729 1.4118 2.7155 5.1397 3.7042 2.6712 10.9445 40.4375 1.2079 0.4244 0.1061 2.7451 0.8148 11.8402 16.1851 6.9100 6.0393 17.1982 21.4957 14.0480 3.0035 2.4019 13.0303 0.6300 6.6272 7.1402 0.3962 8.3071 3.7741 16.5061 3.3263 16.6476 6.4754 1.0068 4.2023 2.8517 1.5910 0.5969 3.7561 3.2710 24.2352 11.8865 8.1470 4.8115 1.9455 2.5745 2.0555 29.6813 245.4730 398.2267 93.1477 11.3877 63.6890 47.8408 298.7997 25.1163 231.6586 7.1716 94.6502 21.8973 2.9515 2.3021 1.1749 10.2058 45.8244 1.0983 0.6013 0.5779 22.2616 4.2695 0.5000 5.9492 0.2599 5.7417 15.9801 1.7330 1.1426 21.6871 13.7266 2.5185 29.3783 8.7317 11.5809 18.9265 8.2455 11.3119 4.7270 6.7884 2.3355 7.0255 9.4201 7.9871 17.6201 6.2132 4.4112 7.3674 1.8076 14.4188 110.6179 318.3521 282.9644 89.3501 32.5059 396.8687 248.2097 11.5647 25.0139 15.7669 26.3367 22.8285 19.4462 21.7712 13.0098 1.4056 17.5101 8.8351 32.2086 34.7952 34.8507 3.7520 30.1086 15.4273 12.4373 11.9261 0.9029 18.1272 54.9491 12.2931 42.3487 1.9845 3.4083 12.2255 13.4996 17.4886 6.9145 522.7802 59.0034 0.3424 0.4509 0.1727 1.5924 0.4115 1.1217 0.6438 0.3140 1.8586 0.1959 0.4530 0.1639 0.1472 0.1134 0.3220 0.3738 0.2871 0.5737 0.4123 0.9815 1.1019 1.8299 2.7491 0.5029 1.0589 0.4841 0.7874 1.5936 0.8219 0.2388 0.4822 0.6038 1.0517 1.0303 0.6532 0.0970 0.8285 0.6915 0.7524 1.1712 1.6804 2.2928 2.6175 1.6617 2.3295 0.8096 1.9122 4.1261 2.1669 1.8935 5.3549 1.8290 1.8005 0.3777 10.4033 4.0490 0.6825 2.2132 1.0198 0.7324 3.0646 2.0484 2.2095 4.7917 3.0853 8.6222 4.3344 1.2511 0.9979 0.8550 2.6129 7.1962 5.6841 0.6007 1.4953 2.2420 0.7354 4.1758 20.0474 1.7540 5.1092 10.4733 8.4913 3.0292 1.2218 6.1934 2.3749 2.5576 0.7471 4.8295 0.8198 3.8702 1.3983 5.4071 4.0053 3.0264 1.4781 6.3717 5.7613 1.8778 6.4276 10.3139 7.3344 3.5167 20.8133 5.4070 15.1704 15.2634 5.7446 4.7824 5.7884 18.6232 6.6783 10.3143 0.3346 0.2621 1.4340 21.9116 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1.00783 7290.0664 28952.1463 31997.5996 0.99994 0.00634 -0.00844 -0.00626 0.99994 0.00917 0.00850 -0.00912 0.99992 1 0.01188 0.00299 0.00271 0.24756 0.06234 0.05640 9.53 21.59 29.54 45.19 63.43 84.61 108.04 121.06 139.94 165.41 174.62 190.10 193.05 237.57 252.15 280.41 291.18 296.02 313.60 326.12 373.53 383.83 409.19 413.84 449.78 456.95 460.55 507.29 535.21 536.03 544.97 574.77 589.71 610.34 654.23 664.30 678.27 697.05 705.37 721.76 760.50 773.79 803.07 804.75 814.48 856.69 866.01 886.44 907.86 937.88 965.25 1025.06 1035.10 1061.58 1112.73 1172.97 1189.91 1226.92 1237.47 1251.31 1267.00 1267.65 1285.62 1293.38 1312.03 1334.42 1364.43 1374.50 1391.99 1412.38 1418.33 1432.55 1454.72 1483.10 1503.36 1519.60 1557.74 1570.41 1584.03 1602.39 1613.76 1619.30 1641.47 1659.95 1670.14 1678.66 1681.79 1685.75 1691.04 1740.22 1744.49 1758.79 1800.25 1820.35 1826.87 1852.44 1884.43 1900.15 1917.82 1918.23 1969.20 1980.61 1992.42 1998.67 2018.45 2023.05 2029.87 2043.40 2045.40 2062.18 2077.57 2093.97 2116.80 2121.67 2144.49 2156.19 2173.15 2182.90 2199.21 2204.25 2208.25 2214.15 2218.05 2218.43 2229.07 2238.46 2254.53 2255.71 2256.83 2309.40 2322.74 2330.04 2331.01 2341.90 2344.49 2347.36 2350.93 2355.70 2356.29 2363.34 2366.78 2367.42 2372.71 2373.66 2384.05 2391.92 2403.43 2432.76 2445.51 2467.87 2521.34 2542.12 2671.49 2727.87 4612.19 4616.68 4620.32 4623.71 4629.11 4631.79 4632.99 4643.95 4666.19 4667.05 4682.55 4692.09 4697.53 4699.05 4702.03 4703.50 4708.87 4710.89 4720.36 4721.41 4725.69 4737.56 4748.77 4749.99 4757.29 4808.43 4825.54 4839.38 4839.61 4863.64 5042.29 5582.48 0.588057 0.615771 0.616715 0.526464 -1550.867516 -1550.839802 -1550.838857 -1550.929108 3.027033D-04 MUNgauss RevisionA2.0 retrievium 18-Jan-2021 DUDE Cc1c(c(n2c(n1)nc(n2)C(F)(F)F)C)CC(=O)NCC3(CCCCC3)[NH+]4CCCCC4 C22621307 RHF 6-31G(d) (6D,10F) C1 453.258970 |X|Y|Z| 36.771576 55.185752 118.781273 62.234193 25 6 7 19 6 |36.858105| |12.624903|36.858105| |7.418000|13.179552|36.858105| |5.017897|7.909312|13.986321|36.858105| |4.596969|7.228210|8.269971|14.043078|53.358707| |5.271652|8.471083|7.028968|7.947231|19.070262|36.858105| |8.030983|14.749540|7.890031|6.785725|11.031310|14.211822|53.358707| |3.998068|5.434086|4.768028|5.485300|11.917300|14.587476|10.830400|53.358707| |3.361904|4.484700|4.427956|5.645819|12.671523|9.240940|7.656252|19.375821|36.858105| |3.483616|4.805223|5.303992|7.893052|19.241484|8.605262|7.448198|11.532277|14.682993|53.358707| |2.674201|3.321783|3.288621|3.979992|7.392433|5.425718|5.408409|10.456071|12.658580|10.591252|36.858105| |2.525987|3.056535|2.964946|3.453410|6.121847|4.715656|4.975724|8.885891|8.215099|7.801395|14.461846|97.533100| |2.401222|2.944595|3.048728|3.766525|6.537824|4.361607|4.545760|7.257521|8.184630|9.745122|14.492114|20.104554|97.533100| |2.524883|3.051125|2.954141|3.436876|6.100862|4.713288|4.974072|8.913639|8.208194|7.759003|14.488163|20.114660|20.100699|97.533100| |3.704250|4.942627|7.387300|12.712909|10.732834|5.133049|6.034959|5.680374|4.692418|9.214129|3.640006|7.095842|8.369707|7.053272|36.858105| |6.401970|7.430669|12.588755|7.580769|6.967594|4.513158|6.877823|4.707346|3.308115|5.272297|2.635513|5.447091|5.662457|5.420596|6.151659|36.858105| |5.182516|5.557169|7.527562|5.738664|5.781389|3.809306|5.678979|4.156478|2.953929|4.637303|2.419460|5.144623|5.248594|4.913795|5.193923|12.527203|36.858105| |4.326672|4.931178|6.569340|5.847652|6.008074|3.834581|5.419290|4.260765|3.105137|4.952902|2.552661|5.481286|5.598319|5.074493|5.636163|7.967819|15.708578|73.516695| |4.684982|4.447786|5.214890|4.131502|4.511020|3.112126|4.727865|3.514406|2.473062|3.756414|2.082878|4.483615|4.517216|4.300402|3.828173|7.784775|14.159671|15.185511|53.358707| |3.557930|3.413126|3.849283|3.308137|3.773411|2.613728|3.864374|3.053552|2.175647|3.268599|1.878219|4.100890|4.113303|3.874986|3.205820|4.990724|7.723019|12.128525|17.814528|36.858105| |3.356681|3.204987|3.427906|3.008914|3.578259|2.538370|3.755312|3.012741|2.129041|3.136632|1.854389|4.126547|4.033093|3.809364|2.859290|4.012898|5.741273|10.293549|10.095300|12.255013|36.858105| |3.900634|3.507116|3.509704|2.983153|3.633585|2.678189|4.109285|3.166436|2.177689|3.140532|1.886268|4.223352|4.029733|3.902172|2.704702|3.949943|5.206978|8.778242|8.868386|7.455159|12.381380|36.858105| |3.642691|3.117802|3.065383|2.595604|3.183954|2.369969|3.667884|2.828799|1.938408|2.771710|1.695862|3.776998|3.624031|3.565585|2.366313|3.506718|4.254488|6.790286|7.572171|6.145122|7.469139|12.416011|36.858105| |2.819438|2.506624|2.502423|2.195955|2.723493|2.009930|3.030609|2.448521|1.700766|2.426033|1.514325|3.389267|3.266236|3.193169|2.058213|2.826261|3.375963|5.619776|5.762184|5.103548|6.337820|7.573770|12.463990|36.858105| |2.576395|2.373900|2.454262|2.191321|2.684227|1.938429|2.864355|2.364311|1.669338|2.411397|1.491393|3.326256|3.254150|3.128896|2.109547|2.824597|3.476908|5.914736|5.998900|6.023022|7.387918|6.482680|7.563650|12.466908|36.858105| |2.680299|2.550558|2.690673|2.430829|2.956569|2.107121|3.075794|2.560936|1.822870|2.657604|1.621711|3.628081|3.552224|3.360436|2.361355|3.081539|4.008592|7.201047|6.731241|7.508369|12.340147|7.588466|6.451883|7.453569|12.380259|36.858105| |3.191698|3.244961|3.547009|3.259411|3.901828|2.715663|3.892466|3.242970|2.328636|3.463373|2.028211|4.550586|4.439930|4.091973|3.153087|3.928653|5.646301|12.161388|8.030054|7.640504|12.230325|7.501499|4.861248|4.323818|4.847821|7.512501|53.358707| |3.590945|3.778547|4.301254|3.933275|4.563241|3.107466|4.434641|3.631474|2.617558|3.970270|2.236306|4.966507|4.892884|4.471179|3.787584|4.799450|7.507564|18.848106|9.477033|7.844143|9.273155|6.667101|4.494244|3.815579|4.136349|5.714027|25.487869|0.500000| |2.611439|2.700138|3.005207|2.884757|3.474523|2.372638|3.305437|2.892515|2.126791|3.184013|1.890555|4.237225|4.219722|3.816770|2.943920|3.323083|4.486685|9.702684|6.254443|6.024703|7.393924|4.900331|3.735943|3.610026|4.325068|6.588853|17.196730|0.261160|36.858105| |2.459397|2.638945|2.967879|2.990474|3.658546|2.451510|3.308385|3.030483|2.278293|3.441041|2.043051|4.604402|4.622736|4.063446|3.143993|3.134053|4.018196|9.164576|5.144455|4.371022|4.879177|3.780862|2.979331|2.839344|3.218838|4.333520|10.370344|0.204476|12.495378|36.858105| |2.392513|2.568523|2.781850|2.817882|3.590463|2.464801|3.311866|3.104326|2.318738|3.418420|2.102715|4.853019|4.714011|4.156994|2.862934|2.807762|3.455552|7.637889|4.411017|3.597275|4.249300|3.614654|2.829835|2.696620|2.929495|3.823647|8.749522|0.167447|7.579429|12.482036|36.858105| |2.811528|3.011879|3.175791|3.137384|4.034841|2.838686|3.886626|3.528770|2.568177|3.737872|2.280861|5.305632|4.987783|4.492405|3.024590|3.131066|3.896729|8.626692|4.921758|3.883450|4.839890|4.415811|3.265582|2.989032|3.108017|4.034710|10.376371|0.202647|6.583817|7.641073|12.486205|36.858105| |3.054318|3.114587|3.238185|3.030594|3.804866|2.724505|3.890504|3.320900|2.361169|3.424563|2.076930|4.766448|4.499194|4.170880|2.860552|3.340864|4.354587|9.153406|5.910584|4.944582|7.280765|6.582032|4.352450|3.927846|4.066902|5.656154|17.215823|0.259726|7.764910|6.527382|7.498249|12.468501|36.858105| |17.544260|8.809417|6.685759|4.601219|5.548022|4.432938|8.252192|4.734889|3.022700|4.320526|2.452048|5.289933|5.031828|5.152242|3.559228|6.679898|6.111686|8.727737|7.957332|4.294766|4.082474|4.987727|4.584580|3.353493|3.013729|3.142080|5.092969|0.116843|2.948201|2.698346|2.607541|3.110872|3.523336|0.500000| |17.651977|8.990579|5.534472|4.208547|5.646071|5.066338|10.712347|5.498338|3.283979|4.439496|2.655140|5.732253|5.277107|5.714101|3.197148|4.722650|4.098390|6.421764|5.197098|3.079797|3.018487|3.578219|3.390034|2.669429|2.399325|2.473990|3.937156|0.088265|2.386804|2.264490|2.251063|2.659317|2.868472|0.300282|0.500000| |17.542805|8.859866|6.532736|4.568524|5.586908|4.514915|8.487279|4.823416|3.060411|4.351082|2.479577|5.204692|5.073646|5.360904|3.521563|6.275248|4.771639|6.902532|6.085919|3.384267|3.083429|3.489083|3.414812|2.690326|2.474849|2.521298|3.910662|0.088808|2.412555|2.262578|2.169838|2.483207|2.694631|0.301534|0.301182|0.500000| |3.316338|4.305944|5.850232|8.973832|9.608664|4.760623|5.483269|5.529436|4.733031|9.332913|3.773084|7.106138|8.926461|7.457174|17.584424|4.973780|4.124507|7.635402|4.402814|2.757460|2.472262|2.360987|2.112858|1.859300|1.899905|2.092753|3.642651|0.086646|2.537711|2.702461|2.490213|2.597398|2.461887|0.086749|0.081128|0.089885|0.500000| |3.304778|4.300445|5.826077|8.987897|9.702841|4.791770|5.496093|5.579973|4.797223|9.512818|3.822869|7.593313|9.045864|7.149742|17.597742|4.951408|4.673976|9.778169|4.806250|3.086480|2.838789|2.655635|2.286961|2.012768|2.076044|2.360408|4.428199|0.108543|3.096614|3.458371|3.178868|3.310674|3.004298|0.089818|0.081299|0.085597|0.303420|0.500000| |3.625630|4.557661|6.915037|8.864689|7.774271|4.202941|5.308925|4.705522|3.730345|6.680891|3.019937|6.045957|6.935309|6.001621|17.687411|7.063785|6.088318|11.512546|5.973528|3.632594|3.102663|2.853211|2.504955|2.181668|2.270455|2.549335|4.595577|0.113661|3.190348|3.338449|2.920727|3.033961|2.939726|0.099673|0.085537|0.097639|0.299519|0.301467|0.500000| |7.369562|7.053519|8.863830|5.685975|5.860421|4.064724|6.520029|4.329963|2.972443|4.557245|2.410800|5.010562|5.136577|5.064785|4.680881|17.619500|8.855964|10.430037|10.234037|4.781231|3.837981|3.942260|3.703130|2.932309|2.863959|3.008280|4.831927|0.115022|2.997851|2.766505|2.511859|2.802903|3.061601|0.214605|0.144692|0.226747|0.113039|0.108301|0.143896|0.500000| |4.830477|5.586952|8.850769|7.075845|6.464026|4.004842|5.735669|4.329983|3.154566|5.139207|2.558209|5.221947|5.621606|5.284249|6.859369|17.574336|9.098413|12.137669|8.735310|4.528769|3.568223|3.374490|3.061290|2.563417|2.622656|2.850527|4.809284|0.117746|3.153378|3.023516|2.655998|2.855760|2.983735|0.135550|0.105800|0.137963|0.157777|0.145266|0.249243|0.306746|0.500000| |4.896238|4.365914|4.927984|3.831307|4.243540|2.979881|4.609476|3.374691|2.353167|3.535938|1.989702|4.262798|4.298751|4.163474|3.508593|7.464434|9.453493|10.911576|26.061753|9.055503|5.854180|5.691545|5.561234|4.187071|4.207194|4.345942|6.257788|0.142616|3.754487|3.162115|2.776734|3.072545|3.629905|0.169325|0.109734|0.137290|0.084769|0.088242|0.110634|0.238569|0.173983|0.500000| |3.266832|3.044138|3.348571|2.888109|3.348659|2.346913|3.484567|2.772156|1.969878|2.929441|1.718277|3.749611|3.764742|3.584697|2.805877|4.300796|5.810023|8.914502|12.730528|17.690489|8.878576|6.483962|6.483663|5.714339|7.099119|7.363343|7.629816|0.152122|4.828422|3.623185|3.059935|3.245653|4.051209|0.108203|0.079592|0.088802|0.068714|0.074461|0.087789|0.120997|0.111284|0.239042|0.500000| |3.147974|3.146457|3.663473|3.286871|3.721408|2.517476|3.621182|2.966299|2.154190|3.278120|1.872156|4.074574|4.154498|3.844407|3.339275|4.699104|7.100565|12.463160|12.512206|17.621089|8.744322|5.484899|4.605328|4.142061|5.077127|6.561027|10.043910|0.215969|6.969418|4.997778|3.820399|3.891249|4.671230|0.101307|0.076223|0.083799|0.079568|0.090451|0.107686|0.119826|0.125794|0.189481|0.306516|0.500000| |3.460755|3.166638|3.107239|2.718937|3.403981|2.537926|3.849788|3.059307|2.102048|2.990673|1.842315|4.180872|3.927552|3.807933|2.474163|3.337390|4.198193|7.455796|6.564976|5.463941|8.847818|17.602533|9.015630|7.066520|5.868262|6.951110|9.431461|0.161867|4.702936|3.721312|3.762478|4.739115|7.456537|0.118105|0.091472|0.085420|0.060501|0.068579|0.071290|0.091609|0.080599|0.119729|0.136187|0.123414|0.500000| |4.928716|4.354591|4.256378|3.482142|4.213123|3.141997|4.957816|3.628125|2.456985|3.547170|2.087552|4.655419|4.412614|4.299870|3.038980|4.709071|6.224906|10.176034|9.909298|6.821786|8.771146|17.580610|8.779399|5.502386|4.818932|5.500169|9.353353|0.194600|4.487503|3.688605|3.565824|4.509565|6.281718|0.187021|0.122836|0.116898|0.072779|0.082080|0.088091|0.129961|0.106464|0.174248|0.157729|0.143339|0.303304|0.500000| |3.802745|3.145678|2.972574|2.509348|3.137162|2.387078|3.753530|2.863311|1.935080|2.728357|1.695126|3.790727|3.590036|3.585959|2.249273|3.283046|3.779374|6.054691|6.293982|4.697291|5.487503|8.908729|17.572417|8.821498|5.504752|4.838825|5.546783|0.107259|3.191983|2.655562|2.591865|3.029368|3.907371|0.132630|0.101688|0.098324|0.056247|0.060285|0.065106|0.097711|0.079106|0.131708|0.134101|0.103464|0.218612|0.216046|0.500000| |3.864010|3.251114|3.248056|2.701974|3.256685|2.403401|3.737046|2.841233|1.951590|2.813924|1.698808|3.742256|3.640057|3.586213|2.468739|3.885063|4.651612|7.022119|8.928487|6.814893|6.715604|8.745937|17.530114|8.820544|6.755007|5.667675|6.057076|0.119647|3.535684|2.850885|2.640695|2.981975|3.804351|0.135779|0.097040|0.104046|0.061361|0.065197|0.073596|0.118051|0.094335|0.200009|0.218613|0.137454|0.174492|0.208991|0.304772|0.500000| |2.641647|2.373469|2.341458|2.081714|2.621383|1.948897|2.923629|2.398779|1.663826|2.353609|1.491213|3.367140|3.209916|3.141669|1.947747|2.569967|3.037469|5.199512|4.936528|4.264611|5.573967|6.856244|8.875487|17.519057|8.847901|6.651552|5.663825|0.100258|3.493344|2.794219|2.739463|3.066302|4.056443|0.086156|0.070804|0.069135|0.048989|0.053444|0.056687|0.073144|0.064783|0.097827|0.124824|0.100054|0.210658|0.141341|0.216012|0.173734|0.500000| |2.639008|2.323103|2.305042|2.026638|2.525322|1.870607|2.822712|2.290589|1.589763|2.258597|1.422594|3.175499|3.069248|3.023113|1.903240|2.600156|2.997391|4.928154|5.052220|4.264840|4.780711|5.502762|8.816624|17.571034|8.845272|5.464037|4.763506|0.088494|3.034607|2.462931|2.340582|2.556740|3.213371|0.085677|0.069932|0.071344|0.048274|0.051388|0.055981|0.076186|0.066231|0.106017|0.136905|0.099101|0.143267|0.123085|0.210615|0.214391|0.303853|0.500000| |2.251967|2.095948|2.160185|1.960805|2.428789|1.755136|2.568390|2.165879|1.536362|2.208971|1.386875|3.104477|3.037092|2.917758|1.904799|2.442123|2.928833|5.072996|4.830194|4.607948|5.464183|4.898464|5.508026|8.823281|17.572356|8.916678|5.563776|0.097265|3.882623|2.972714|2.740840|2.838451|3.593385|0.071684|0.058959|0.060341|0.048088|0.052404|0.056629|0.068505|0.063857|0.094794|0.145645|0.115610|0.132407|0.107054|0.123468|0.138386|0.216651|0.209928|0.500000| |2.587852|2.378848|2.492168|2.214526|2.682345|1.922886|2.841046|2.334865|1.653933|2.404058|1.474687|3.262313|3.228197|3.104230|2.148699|2.943393|3.593288|5.942756|6.409208|6.484411|6.514925|5.555614|6.699560|8.854126|17.539737|8.787869|5.958235|0.108803|4.013814|3.045299|2.705505|2.829467|3.562263|0.083650|0.066129|0.070348|0.053946|0.058106|0.065038|0.083911|0.076943|0.129078|0.246752|0.152457|0.132440|0.123053|0.138219|0.194826|0.173998|0.217808|0.305828|0.500000| |2.451304|2.378991|2.560693|2.356279|2.851465|2.003216|2.880119|2.446149|1.763139|2.590213|1.577647|3.516696|3.489565|3.266528|2.347054|2.951210|3.814150|6.980924|6.237192|7.016793|8.743184|5.503276|4.863666|5.487291|8.882861|17.582444|9.193518|0.148442|7.298393|4.634445|3.857181|3.809590|4.939484|0.078212|0.062606|0.064765|0.057979|0.065487|0.071166|0.079089|0.077858|0.111797|0.193740|0.197609|0.140845|0.122784|0.106976|0.127753|0.137761|0.123746|0.214806|0.218044|0.500000| |2.510471|2.405564|2.497664|2.288104|2.835676|2.037831|2.957834|2.505339|1.782015|2.573701|1.597788|3.610886|3.494464|3.305623|2.214840|2.764290|3.499937|6.466522|5.536242|5.501450|8.862817|6.818178|5.613852|6.667289|8.878830|17.538555|9.691245|0.145568|6.380522|4.363267|4.095998|4.351880|6.296430|0.080849|0.065523|0.064945|0.054755|0.062268|0.065340|0.074573|0.070923|0.100346|0.145342|0.139487|0.204681|0.140409|0.125717|0.130455|0.193140|0.137788|0.220971|0.174051|0.303534|0.500000| |2.364345|2.402555|2.606255|2.497756|3.070466|2.131525|2.981003|2.633368|1.927058|2.840945|1.735102|3.918621|3.866298|3.529449|2.526097|2.847238|3.676497|7.516531|5.281916|5.075913|6.607749|4.626512|3.651068|3.732334|4.586346|7.180297|12.346250|0.182282|17.644879|8.833134|6.902051|5.886660|7.176216|0.073898|0.060969|0.060983|0.061665|0.073460|0.075068|0.073121|0.075139|0.091624|0.121551|0.153950|0.129814|0.112972|0.086976|0.093746|0.103096|0.086761|0.119203|0.113713|0.228035|0.216336|0.500000| |2.574799|2.650949|3.009418|2.875707|3.398459|2.296606|3.203280|2.785467|2.056699|3.106978|1.826305|4.045147|4.099222|3.710642|2.996332|3.456643|4.706711|9.824612|6.765516|6.915451|7.099236|4.564721|3.674686|3.573406|4.452983|6.537832|12.274040|0.220790|17.683709|8.841801|5.516998|4.906244|5.629452|0.080510|0.064633|0.067256|0.072018|0.086070|0.092812|0.086784|0.093369|0.112558|0.154632|0.259764|0.116008|0.116374|0.086053|0.100343|0.092900|0.084828|0.110330|0.120845|0.224955|0.158699|0.302228|0.500000| |2.178564|2.325605|2.609046|2.654974|3.272345|2.190500|2.937881|2.741335|2.078391|3.130764|1.893253|4.259396|4.331303|3.791196|2.849262|2.765598|3.421032|7.440732|4.456303|3.791223|4.072543|3.209517|2.642759|2.583130|2.968948|3.872603|7.583810|0.148135|8.981204|17.569328|8.791923|5.528764|4.894553|0.065648|0.056012|0.056464|0.069514|0.086843|0.084402|0.068652|0.075751|0.078060|0.090856|0.122443|0.087900|0.086065|0.065738|0.070900|0.070613|0.063235|0.078030|0.078948|0.119698|0.108288|0.214497|0.216394|0.500000| |2.644344|2.917357|3.395067|3.503372|4.191648|2.729255|3.629815|3.334875|2.540502|3.931614|2.247820|5.005233|5.119981|4.425261|3.796221|3.571189|4.610575|11.288716|5.545972|4.459491|4.617393|3.660442|2.900340|2.687402|2.992482|3.884601|9.385649|0.218076|8.870434|17.542041|8.813941|6.810386|5.707172|0.079868|0.066758|0.067490|0.088381|0.118886|0.113057|0.084939|0.096726|0.093528|0.100847|0.144125|0.097239|0.103130|0.072272|0.078690|0.072419|0.065420|0.075777|0.080449|0.113705|0.104846|0.173691|0.214360|0.303297|0.500000| |2.173792|2.286843|2.435517|2.440204|3.135930|2.185469|2.962405|2.779495|2.062510|2.998590|1.894573|4.392264|4.241895|3.790820|2.466676|2.477713|3.002581|6.345159|3.964995|3.300200|3.981192|3.419091|2.738559|2.694315|2.949214|3.836031|7.606800|0.136741|6.794364|8.850119|17.523622|8.841660|6.693809|0.065846|0.057374|0.055195|0.060651|0.074794|0.070071|0.062799|0.065330|0.070560|0.080169|0.096390|0.101451|0.090930|0.069807|0.070203|0.077359|0.065032|0.078427|0.074552|0.108156|0.119053|0.202386|0.140064|0.215270|0.173383|0.500000| |2.258633|2.467659|2.676909|2.791247|3.623365|2.465832|3.239520|3.156835|2.400167|3.538998|2.207290|5.132803|5.006953|4.322143|2.880836|2.640242|3.136036|6.889738|3.917313|3.087483|3.480202|3.062304|2.470242|2.347045|2.516613|3.150659|6.605289|0.134384|5.513127|8.827479|17.587471|8.845217|5.485356|0.067102|0.059351|0.057071|0.070219|0.091012|0.080199|0.065352|0.070192|0.069549|0.074108|0.091313|0.087826|0.085647|0.063812|0.064826|0.066092|0.057568|0.065921|0.065521|0.088704|0.092286|0.140415|0.123538|0.208583|0.214684|0.303417|0.500000| |2.636580|2.800861|2.861163|2.836572|3.765241|2.715252|3.712567|3.452396|2.492835|3.538151|2.249830|5.338092|4.881577|4.444059|2.699476|2.762247|3.293816|6.951379|4.212550|3.269191|4.034890|3.925770|3.006943|2.785008|2.823681|3.520255|7.590891|0.146972|4.934911|5.528062|8.790574|17.570671|8.981344|0.080033|0.070868|0.064600|0.065625|0.081742|0.074005|0.069909|0.070054|0.075113|0.078353|0.089564|0.121630|0.111327|0.079544|0.075544|0.081115|0.066897|0.072824|0.070991|0.091454|0.107949|0.131896|0.108173|0.123317|0.139036|0.214962|0.208941|0.500000| |3.131382|3.488587|3.735468|3.760973|4.835820|3.348594|4.510942|4.103175|3.001168|4.432182|2.607118|6.038640|5.675810|5.046683|3.576598|3.558313|4.403940|10.232754|5.235530|3.903534|4.564163|4.259644|3.173674|2.815611|2.890175|3.641397|9.343374|0.214452|5.711465|6.813149|8.843664|17.529957|8.894897|0.095228|0.081448|0.075744|0.083405|0.110912|0.097773|0.086212|0.089210|0.090096|0.089455|0.108712|0.121336|0.128183|0.082539|0.082293|0.078726|0.067704|0.072534|0.074752|0.095881|0.104365|0.134171|0.127178|0.139187|0.198650|0.173598|0.216233|0.303770|0.500000| |3.482308|3.479700|3.479964|3.169029|4.023043|2.961823|4.344460|3.576765|2.483438|3.553338|2.159871|4.970154|4.602285|4.351777|2.877505|3.516712|4.491375|9.014518|6.093889|4.775622|6.869028|7.727065|4.837531|4.103256|3.959993|5.105653|12.305981|0.222145|5.634911|4.914072|5.509356|8.910111|17.722640|0.113895|0.091843|0.083244|0.068864|0.082656|0.081061|0.090776|0.084837|0.105605|0.110201|0.118972|0.259755|0.222953|0.125030|0.114572|0.118636|0.093164|0.095778|0.096574|0.119459|0.153366|0.145471|0.126239|0.108046|0.128634|0.138489|0.123974|0.216406|0.219355|0.500000| 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