Version2.1 2021-01-06T12:41:54Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 12-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE NC5=NC(c2cccc(c1cccnc1F)c2)(c4ccc3OCCOc3c4)C6=NCCCN56 574520 CHEMBL566968 RHF 6-31G(d) (6D,7F) NC5=NC(c2cccc(c1cccnc1F)c2)(c4ccc3OCCOc3c4)C6=NCCCN56 C01[X(C25H22F1N5O2)] 159 C1 539 NC1=NC(C2=NCCCN12)(c1cccc(c1)c1cccnc1F)c1ccc2c(c1)OCCO2 NC1=NC(C2=NCCCN12)(c1cccc(c1)c1cccnc1F)c1ccc2c(c1)OCCO2 NC1=NC(c2cccc(c2)c3cccnc3F)(c4ccc5OCCOc5c4)C6=NCCCN16 InChIKey=WDVQMWDSGDTYIB-UHFFFAOYSA-N InChI=1S/C25H22FN5O2/c26-22-19(6-2-9-28-22)16-4-1-5-17(14-16)25(23-29-10-3-11-31(23)24(27)30-25)18-7-8-20-21(15-18)33-13-12-32-20/h1-2,4-9,14-15H,3,10-13H2,(H2,27,30) InChI=1/C25H22FN5O2/c26-22-19(6-2-9-28-22)16-4-1-5-17(14-16)25(23-29-10-3-11-31(23)24(27)30-25)18-7-8-20-21(15-18)33-13-12-32-20/h1-2,4-9,14-15H,3,10-13H2,(H2,27,30)/f/h27H2 NC5=NC(c2cccc(c1cccnc1F)c2)(c4ccc3OCCOc3c4)C6=NCCCN56 C01[X(C25H22F1N5O2)] 159 C01 539 NC1=NC(C2=NCCCN12)(c1cccc(c1)c1cccnc1F)c1ccc2c(c1)OCCO2 NC1=N[C@@](C2=NCCCN12)([C]1[CH][CH][CH][C]([CH]1)[C]1[CH][CH][CH][N][C]1F)[C]1[CH][CH][C]2[C]([CH]1)OCCO2 NC1=N[C@@]([C]2[CH][CH][CH][C]([CH]2)[C]3[CH][CH][CH][N][C]3F)([C]4[CH][CH][C]5OCCO[C]5[CH]4)C6=NCCCN16 InChIKey=WDVQMWDSGDTYIB-VWLOTQADSA-N InChI=1S/C25H22FN5O2/c26-22-19(6-2-9-28-22)16-4-1-5-17(14-16)25(23-29-10-3-11-31(23)24(27)30-25)18-7-8-20-21(15-18)33-13-12-32-20/h1-2,4-9,14-15H,3,10-13H2,(H2,27,30)/t25-/m0/s1 InChI=1/C25H22FN5O2/c26-22-19(6-2-9-28-22)16-4-1-5-17(14-16)25(23-29-10-3-11-31(23)24(27)30-25)18-7-8-20-21(15-18)33-13-12-32-20/h1-2,4-9,14-15H,3,10-13H2,(H2,27,30)/t25-/m0/s1/f/h27H2 3306.1518428271 -1480.9211114 1-A 15775.7705 116 423 539 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.30519 -20.58285 -20.58115 -15.60513 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1.9986 2.5874 2.5769 2.3916 2.9441 2.8626 1.9552 1.4654 1.8565 2.0028 1.3776 2.2235 1.3678 1.5650 2.4417 1.2010 1.4160 2.1536 2.2752 2.2920 1.4272 1.4888 1.7825 1.3909 1.4228 1.4898 3.0345 3.6069 4.4034 3.3507 1.1285 2.4271 1.0997 1.1249 1.1398 2.5285 1.1190 2.8615 4.8748 6.6846 5.4110 1.7599 2.8188 7.3303 6.2113 5.3015 10.1141 1.0730 1.0703 1.0720 1.0627 1.0640 1.0930 1.1013 1.1020 1.0991 1.1023 1.0885 1.0906 1.0931 1.0917 1.0933 1.0989 1.0936 1.0922 1.0931 1.0915 1.0491 1.0998 0.0004 0.0014 0.0038 0.0042 0.0077 0.0158 0.0134 0.0213 0.0270 0.0268 0.0372 0.0720 0.0752 0.1235 0.1508 0.1006 0.1470 0.2356 0.1700 0.3167 0.1996 0.3666 0.1749 0.2721 0.1735 0.1073 0.3463 0.4880 0.5982 0.5583 0.5528 0.9994 0.7191 0.5804 0.7892 0.6384 0.5834 0.9026 1.2701 1.6217 0.9006 0.9544 1.2850 0.7452 1.9677 0.9204 0.9860 1.3719 1.2810 2.0381 1.3809 0.9290 1.5635 2.3614 2.4148 2.1452 2.1986 0.9311 0.7879 0.8578 2.3408 1.6122 0.9280 1.5090 0.7950 1.3739 0.9536 1.0597 1.0329 1.6076 1.5140 1.7957 2.5585 2.5074 0.9926 0.9629 0.9868 1.0055 2.8318 2.4292 2.7087 1.8022 2.7418 2.0328 2.2094 2.7519 1.5487 1.8323 3.0485 2.3878 1.8380 2.4306 2.4553 2.3163 2.9191 2.8746 2.0188 1.5231 1.9521 2.1482 1.5151 2.4702 1.5689 1.8342 2.9091 1.4335 1.6968 2.6307 2.8264 2.8879 1.8036 2.0010 2.4550 1.9406 2.0132 2.1500 4.4460 5.3684 6.7461 5.1540 1.7706 3.8135 1.7650 1.8140 1.8461 4.1222 1.8477 4.8195 9.0939 12.5328 10.2089 3.3721 5.4320 14.2914 12.1624 11.3253 22.4675 6.4337 6.4742 6.5338 6.5065 6.5155 6.8632 6.9314 6.9879 7.0595 7.0833 7.2253 7.3202 7.3423 7.3612 7.3811 7.5016 7.5230 7.5308 7.5499 7.5842 8.9205 9.8821 0.3103 0.1849 3.8012 3.5632 0.8616 0.6357 0.4932 2.8949 0.8287 5.5637 0.3559 2.7830 2.9979 1.6854 0.8500 2.3681 0.1681 1.7768 1.6343 0.7503 1.1654 3.6948 5.2470 3.0611 6.2729 77.5451 11.4518 2.2436 3.0542 4.6913 1.0317 1.2711 0.5752 0.9926 4.4687 4.9440 1.5103 0.2868 33.8202 18.3717 4.3656 52.1747 0.7308 61.1292 5.0184 49.9221 21.2605 12.3940 25.7968 1.5639 18.1040 11.3312 4.8260 41.5336 40.4781 108.0235 20.6227 64.1760 20.3380 2.3561 26.1781 6.2451 16.1627 6.8655 2.0965 42.0159 28.5043 19.5641 14.2775 4.9386 10.1469 5.6961 6.4193 10.8033 0.3409 0.4712 0.5951 0.5923 19.5953 3.4756 20.6974 19.2574 38.1632 12.4782 48.0225 30.3775 8.0668 8.6039 11.5834 41.2098 18.9509 15.2161 5.9733 32.8344 5.4215 13.0367 29.2465 2.6014 11.0447 3.4915 11.0630 43.2410 10.6760 90.2488 4.4081 17.1800 7.6065 16.9361 385.8400 83.1193 26.1650 2.9921 26.1142 3.8022 34.1811 78.9630 37.7334 15.0084 369.4322 174.5416 4.3889 6.8007 2.6257 10.8903 15.4646 13.4518 3.4202 292.0698 16.4450 72.1054 25.5816 102.8359 43.1455 57.1310 3.3134 759.5849 226.1209 47.4180 67.3562 44.8703 23.3481 63.4196 70.3263 41.4756 34.0958 62.8695 55.2673 11.6691 11.6288 21.1007 10.8904 25.3024 25.8589 4.6681 0.3538 1.7066 1.0702 48.0811 34.4074 3.1470 3.8196 2.1613 2.7798 2.6677 2.4924 3.0800 1.1771 2.9938 0.1374 0.9560 0.2589 1.2580 2.8173 3.1851 3.5991 0.9915 1.8793 2.1553 1.5770 0.9255 2.1271 1.3336 1.7898 0.3582 2.3026 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0.6967 0.7301 0.7158 0.7435 0.7288 0.7168 0.7110 0.6418 0.7022 0.7466 0.7193 0.2891 0.2434 0.7386 0.6986 0.3764 0.5934 0.7500 0.4824 0.1315 0.7315 0.6530 0.7253 0.7479 0.2303 0.7203 0.7191 0.7224 0.2805 0.3216 0.5039 0.5206 0.3977 0.6338 0.4371 0.4671 0.6892 0.4808 0.7084 0.4918 0.6979 0.7487 0.6906 0.1049 0.4980 0.2803 0.2312 0.1882 0.7087 0.5662 0.1775 0.1134 0.3247 0.2332 0.5166 0.7473 0.7385 0.2245 0.3631 0.7392 0.2610 0.1146 0.4881 0.6132 0.6781 0.7149 0.4919 0.7355 0.6847 0.7227 0.0915 0.3219 0.7261 0.7160 0.3571 0.5635 0.7188 0.3874 0.3631 0.0782 0.1074 0.2780 0.4422 0.1093 0.7364 0.4370 0.6098 0.6234 0.1804 0.5106 0.5364 0.7377 0.1889 0.7460 0.3981 0.5124 0.2873 0.5394 0.7450 0.5786 0.6510 0.5808 0.2346 0.6440 0.4166 0.2225 0.2469 0.7440 0.2688 0.5712 0.2455 0.7247 0.4324 0.3741 0.5155 0.5072 0.7409 0.3169 0.7494 0.3304 0.6353 0.7493 0.4473 0.2160 0.5157 0.2517 0.5760 0.6239 0.4638 0.6449 0.7471 0.4174 0.6289 0.0925 0.1426 0.2723 0.2037 0.1313 0.2351 0.4634 0.2544 0.5884 0.5957 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0.7684 0.6337 0.7841 0.8552 0.5890 0.7722 0.1693 0.2496 0.4281 0.3384 0.2322 0.3807 0.6333 0.4056 0.7408 0.7467 0.5201 0.6258 0.8556 0.8122 0.3344 0.5191 0.8323 0.2638 0.3050 0.3702 0.2461 0.3630 0.2440 0.8446 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 7 6 7 6 6 6 6 6 6 6 6 6 6 7 6 9 6 6 6 6 6 8 6 6 8 6 6 6 7 6 6 6 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 18.99840 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 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 11399.1887 19991.8166 25905.0671 0.99999 0.00018 0.00364 -0.00019 1.00000 0.00120 -0.00364 -0.00120 0.99999 1 0.00760 0.00433 0.00334 0.15832 0.09027 0.06967 14.21 31.36 44.10 56.18 70.61 95.81 103.45 134.04 142.91 162.06 178.90 231.92 241.40 267.80 299.53 308.73 356.83 371.87 384.81 424.85 444.10 474.53 488.42 501.45 514.25 536.77 576.44 590.18 631.55 673.51 701.79 733.71 748.19 749.17 771.15 799.02 817.55 825.29 886.54 895.66 897.12 911.52 957.26 963.00 985.25 990.94 1038.40 1055.81 1099.14 1110.45 1122.88 1128.88 1151.24 1192.78 1202.28 1218.99 1235.64 1273.64 1304.23 1315.38 1344.18 1360.73 1363.74 1368.42 1406.01 1409.91 1462.08 1491.69 1507.29 1514.64 1525.16 1535.61 1565.82 1566.34 1572.27 1580.72 1599.68 1601.70 1629.38 1640.30 1690.72 1700.11 1704.56 1728.47 1742.77 1748.47 1752.86 1759.01 1765.60 1788.77 1797.51 1816.72 1829.65 1844.65 1866.46 1878.36 1904.68 1910.94 1922.07 1941.25 1965.75 1975.67 2007.47 2029.25 2045.98 2047.87 2051.91 2071.68 2089.19 2104.01 2107.18 2173.02 2199.74 2214.03 2229.67 2251.75 2268.85 2286.78 2320.07 2324.73 2347.90 2349.57 2374.68 2380.26 2385.46 2393.35 2408.64 2432.60 2560.15 2566.59 2574.65 2594.60 2602.04 2617.25 2622.92 2739.63 2793.71 4589.82 4610.13 4627.57 4638.13 4638.39 4697.07 4702.44 4720.15 4750.41 4751.48 4829.29 4856.14 4858.02 4867.22 4870.28 4897.37 4916.15 4921.90 4926.17 4940.99 5465.84 5618.62 0.471502 0.496103 0.497047 0.413982 -1480.449610 -1480.425009 -1480.424065 -1480.507130 2.786014D-04 MUNgauss RevisionA2.0 retrievium 06-Jan-2021 DUDE NC5=NC(c2cccc(c1cccnc1F)c2)(c4ccc3OCCOc3c4)C6=NCCCN56 574520 CHEMBL566968 RHF 6-31G(d) (6D,10F) C1 443.175753 |X|Y|Z| 95.958107 70.024566 40.796611 64.960905 31 6 7 8 25 4 2 |53.358707| |18.955428|36.858105| |11.113747|15.104571|53.358707| |7.317273|8.624904|17.723875|36.858105| |5.727908|5.757425|10.475166|12.371122|36.858105| |4.469775|4.213742|6.865633|7.481705|13.667353|36.858105| |3.792897|3.375547|5.314581|4.989467|7.918143|13.808316|36.858105| |3.783472|3.265834|5.143610|4.403389|6.836912|7.932968|13.734030|36.858105| |4.447318|3.833342|6.216343|4.966472|7.866957|6.851939|7.930470|13.745249|36.858105| |4.063550|3.292579|5.136684|3.771652|5.030816|4.461665|5.057495|7.646311|12.786507|36.858105| |3.408749|2.715019|4.205320|3.106941|3.947739|3.716694|4.323499|6.192774|7.573670|13.762440|36.858105| |3.102564|2.396495|3.615999|2.603024|3.126847|2.938637|3.303454|4.319635|5.028186|7.906991|13.710271|36.858105| |3.243593|2.447104|3.610552|2.530009|2.961776|2.718879|2.963346|3.753882|4.507378|6.959710|8.042723|13.847166|36.858105| |3.758811|2.818492|4.111567|2.827357|3.312999|2.949510|3.147439|3.983018|5.071824|7.937754|6.932634|8.024436|14.354113|53.358707| |4.287810|3.328410|4.964587|3.451434|4.253927|3.675776|3.929516|5.217094|7.503137|13.644650|8.136621|7.118211|8.489282|20.032608|36.858105| |5.120941|3.944599|5.659882|3.826699|4.579477|3.800864|3.856978|4.776606|6.710361|8.166768|5.361983|4.766905|5.556512|11.724218|14.424769|97.533100| |5.694037|5.260753|9.333729|7.491530|13.766749|7.964858|6.905001|7.945639|13.650909|7.589091|5.229192|3.950107|3.753462|5.906207|6.071646|14.464679|36.858105| |5.726704|5.790629|10.619520|12.368793|7.531926|6.189257|4.365251|3.757804|3.994394|3.168730|2.767186|2.347187|2.240154|3.295831|2.853725|6.786385|5.282247|36.858105| |4.686311|4.456330|7.055330|7.381132|5.534778|5.445472|3.985172|3.304561|3.316794|2.683699|2.399716|2.063359|1.965429|2.858564|2.430252|5.745026|4.046045|13.715772|36.858105| |3.917800|3.496387|5.422915|4.952280|4.125308|4.173428|3.334144|2.836449|2.816370|2.357637|2.171422|1.893074|1.792280|2.563764|2.137009|4.956539|3.280390|7.907045|13.747734|36.858105| |3.778522|3.275644|5.203997|4.398029|3.772632|3.680839|3.059241|2.703787|2.735547|2.340970|2.191453|1.921890|1.810159|2.563681|2.117534|4.838893|3.161203|6.820803|7.931951|13.808487|36.858105| |3.198501|2.676096|4.114950|3.347393|2.994378|2.980475|2.591203|2.326793|2.330739|2.045791|1.952582|1.739135|1.636889|2.292897|1.863541|4.222451|2.606754|4.587874|5.240542|8.062593|14.012196|73.516695| |2.989346|2.449121|3.789222|2.974149|2.744016|2.700824|2.417021|2.228439|2.250609|2.016122|1.957909|1.757918|1.645396|2.279107|1.834042|4.098776|2.477701|3.871255|4.041349|5.307238|8.190984|24.114057|36.858105| |3.302753|2.671694|4.185387|3.134193|2.836005|2.676025|2.382232|2.247476|2.337524|2.119573|2.049104|1.849394|1.743303|2.423551|1.945781|4.355154|2.616665|4.033590|3.888929|4.687722|7.072422|14.184595|12.581953|36.858105| |3.855623|3.194206|5.250643|3.915606|3.510525|3.207443|2.796635|2.645361|2.804736|2.502293|2.388159|2.118313|1.988439|2.783844|2.269833|5.078229|3.225291|5.236122|4.619474|5.228587|7.947365|12.065566|7.977988|13.573597|73.516695| |4.269665|3.715065|6.250105|5.015288|4.255427|3.885294|3.218976|2.933635|3.078810|2.641395|2.459541|2.144136|2.017338|2.864327|2.379720|5.412632|3.655939|7.905580|6.894078|7.973260|13.704018|14.113078|7.062542|8.185379|24.884562|36.858105| |5.320015|4.930372|9.233196|7.584246|5.858697|4.847998|3.793391|3.461299|3.770198|3.126311|2.807351|2.401532|2.274086|3.293549|2.805775|6.488303|4.821283|13.707277|7.974478|6.908319|7.933698|9.271517|4.682025|5.313060|14.369857|13.804579|36.858105| |7.372646|8.548160|11.007230|12.356778|7.543947|6.067846|4.323236|3.758550|4.028720|3.194679|2.657275|2.285127|2.262356|3.464530|3.044057|7.837306|5.366680|7.405368|6.371817|4.371862|3.677130|5.210110|2.564915|2.640150|5.526397|3.850236|5.009412|36.858105| |5.557844|5.535822|7.242075|7.564175|6.126622|5.982453|4.358987|3.615815|3.636723|2.897035|2.458384|2.122435|2.086681|3.154312|2.736315|6.916301|4.458324|5.907234|6.063584|4.271441|3.446901|5.001024|2.432233|2.428017|4.942423|3.418365|4.150924|15.231129|53.358707| |5.131260|4.666055|5.645245|5.002658|4.297481|4.225682|3.425743|2.972841|2.990311|2.499600|2.148936|1.899513|1.895123|2.868312|2.432709|6.205907|3.494324|4.181928|4.366423|3.408765|2.831446|4.278924|2.104227|2.101006|4.163195|2.779686|3.228781|8.250989|17.826296|36.858105| |5.975377|5.144480|5.719467|4.549626|3.961801|3.664418|3.089444|2.828461|2.951467|2.540588|2.156676|1.932289|1.969324|3.036527|2.563514|6.766075|3.454515|3.624744|3.528997|2.847377|2.479129|3.790864|1.908830|1.946120|3.863823|2.512097|2.941368|7.012801|10.423464|12.456889|36.858105| |8.772211|7.461636|7.145923|5.107827|4.072993|3.509890|2.919425|2.737795|2.973153|2.593744|2.193026|1.974426|2.027955|3.148507|2.652481|7.076431|3.620401|3.981236|3.684399|2.965744|2.638409|3.994329|2.020629|2.108477|4.227974|2.742860|3.277864|7.655447|8.880535|7.586866|12.476733|36.858105| |10.963478|13.825922|11.582113|8.194052|5.561932|4.402253|3.456708|3.207378|3.570642|3.003008|2.497460|2.201338|2.233089|3.471027|2.999426|7.970369|4.674360|5.562946|4.735046|3.591714|3.184877|4.649086|2.337643|2.466172|5.103076|3.407316|4.329430|13.757464|11.020092|6.957915|7.902226|13.119288|53.358707| |25.990555|9.638272|10.451448|4.898461|3.969294|3.097982|2.670998|2.708861|3.227016|3.021665|2.563053|2.352616|2.465982|3.868745|3.200599|8.402452|4.094719|4.036155|3.256058|2.791513|2.773586|4.199636|2.246842|2.534595|5.302792|3.214994|3.986974|4.532082|4.788216|3.203319|3.586850|4.829900|8.064507|0.500000| |26.006224|9.442770|8.305363|4.546584|3.585354|2.924166|2.501807|2.466089|2.818273|2.591973|2.217262|2.039502|2.129749|3.315874|2.725827|7.204657|3.481421|3.771581|3.233178|2.748213|2.632022|4.015974|2.099409|2.305342|4.675976|2.902810|3.489353|4.893601|5.259684|3.748812|4.450672|6.862109|10.005989|0.318196|0.500000| |4.221141|3.972721|6.241984|6.961128|8.897165|17.767269|8.960884|5.652833|4.944999|3.566177|3.086545|2.527104|2.358040|3.449812|3.055858|7.160658|5.659802|6.512174|6.560573|4.847739|4.002252|5.715760|2.821352|2.723988|5.694876|3.989824|4.795731|6.281964|9.401199|4.670804|3.771923|3.528595|5.926046|0.080523|0.078529|0.500000| |3.321093|2.896813|4.434667|4.075323|5.638198|8.947307|17.713154|8.918338|5.644609|4.118124|3.738548|2.963800|2.653464|3.761043|3.318670|7.288302|4.968289|3.770547|3.650049|3.159113|2.875359|4.428881|2.318913|2.238705|4.563586|2.930584|3.310532|3.724576|5.348350|3.199826|2.838886|2.630747|4.109398|0.064959|0.061940|0.216422|0.500000| |3.310858|2.776538|4.260915|3.526629|4.932815|5.647697|8.913825|17.709885|8.909552|7.068753|6.589733|4.636969|3.892080|5.390174|4.931941|9.703319|5.642042|3.117693|2.819463|2.491062|2.396104|3.750043|2.042227|2.048156|4.206132|2.569212|2.934569|3.121615|4.162541|2.608344|2.502482|2.405685|3.724748|0.066230|0.060724|0.124412|0.215361|0.500000| |3.194206|2.576864|4.031863|3.066372|3.925983|3.861244|4.645460|6.591059|7.006185|8.958815|17.724038|8.892279|5.686293|6.783103|5.723293|9.643483|4.917526|2.816477|2.469204|2.259631|2.291831|3.644442|2.066231|2.138219|4.426895|2.560017|2.878134|2.600498|3.314313|2.110443|2.076822|2.097079|3.262299|0.066525|0.058161|0.089436|0.113626|0.203933|0.500000| |2.775143|2.135209|3.207701|2.324398|2.741081|2.628197|2.953909|3.719809|4.084032|5.623059|8.851782|17.743889|8.920118|7.764471|5.081001|8.456079|3.322316|2.145246|1.911413|1.779259|1.818047|2.960379|1.697685|1.778370|3.579435|2.014929|2.213277|2.053879|2.620940|1.733547|1.751143|1.784273|2.688441|0.058535|0.051215|0.063918|0.075469|0.112861|0.212709|0.500000| |2.962778|2.200571|3.200516|2.232192|2.546268|2.357730|2.542440|3.107007|3.594499|4.998398|5.672488|8.903051|17.721875|12.703158|5.958378|10.079525|3.115255|2.002513|1.776064|1.634863|1.655697|2.687510|1.525556|1.616899|3.240148|1.834055|2.040140|2.024310|2.556346|1.727710|1.801780|1.857065|2.745368|0.062747|0.054664|0.057820|0.064360|0.089775|0.124150|0.213139|0.500000| |6.750081|6.041502|10.994887|7.001443|8.976560|5.668773|4.974907|5.657661|8.911249|7.024969|4.919998|3.930537|3.901137|6.350008|6.468418|16.363988|17.797550|4.964810|3.739126|3.083302|3.035940|4.479947|2.420844|2.623257|5.772429|3.592659|4.773491|5.081078|5.523360|3.297320|3.388975|3.733343|6.611936|0.139438|0.109930|0.124528|0.107890|0.124166|0.123375|0.091287|0.090416|0.500000| |4.549778|4.322650|6.420579|6.798574|5.307161|5.534796|4.031643|3.266745|3.210733|2.590689|2.301611|1.985693|1.903159|2.783005|2.366825|5.662618|3.849230|8.903710|17.780877|8.964440|5.662265|7.549219|3.365749|3.207918|6.518846|4.968047|5.659042|7.141028|10.732613|5.410855|4.026348|4.002536|6.790405|0.085628|0.088477|0.199820|0.104608|0.077783|0.065430|0.051028|0.047859|0.097593|0.500000| |3.469417|3.024543|4.520583|4.032922|3.493652|3.655182|3.020640|2.565973|2.504360|2.123319|1.973042|1.736031|1.646346|2.345047|1.936960|4.488216|2.839711|5.623664|8.876629|17.727634|9.007791|13.191340|4.847366|4.067798|7.513867|5.675822|4.971257|3.809801|5.325389|3.259735|2.688673|2.735844|4.332748|0.068294|0.068654|0.119728|0.081780|0.063661|0.057100|0.045607|0.041972|0.074056|0.215060|0.500000| |2.707074|2.184157|3.308441|2.569042|2.381412|2.358164|2.139638|1.984236|1.996479|1.810558|1.767937|1.605386|1.509337|2.084516|1.662181|3.717312|2.172999|3.223264|3.407392|4.366638|5.935977|16.892096|17.620866|8.828963|10.166004|5.123466|3.737212|2.276805|2.970740|1.925785|1.755040|1.850131|2.860538|0.056438|0.053349|0.068534|0.057594|0.051061|0.051663|0.043305|0.039146|0.059208|0.081649|0.117494|0.500000| |2.870247|2.360455|3.685907|2.930845|2.803337|2.810291|2.559041|2.359382|2.353925|2.105790|2.069895|1.847635|1.708266|2.345867|1.889485|4.172608|2.547932|3.751432|3.867894|4.898047|7.003462|16.546382|17.539947|8.890066|12.806694|6.413258|4.504044|2.501567|3.249366|2.053056|1.861213|1.948624|3.069684|0.059893|0.055541|0.080997|0.068641|0.060356|0.061516|0.049816|0.043876|0.068278|0.090402|0.124587|0.299796|0.500000| |3.377747|2.697560|4.133182|3.036376|2.673079|2.498580|2.209852|2.086001|2.181865|1.987316|1.904552|1.732623|1.653249|2.315272|1.852221|4.194892|2.461994|3.861485|3.768096|4.510215|6.420628|12.810236|8.891896|17.535710|16.546215|6.998610|4.903186|2.619076|3.269084|2.106431|1.960764|2.148024|3.392708|0.072034|0.066395|0.071052|0.057692|0.052830|0.054575|0.046151|0.042785|0.069336|0.087396|0.110575|0.213174|0.174000|0.500000| |3.048743|2.422198|3.768133|2.774048|2.577510|2.436085|2.217821|2.129183|2.220107|2.052222|2.014147|1.837394|1.727499|2.377777|1.888247|4.182500|2.441390|3.403738|3.236029|3.740503|5.128275|10.166689|8.831293|17.620446|16.897183|5.932775|4.372740|2.352811|2.953368|1.898775|1.780095|1.922821|3.026036|0.065572|0.059057|0.067944|0.058077|0.054506|0.058499|0.049497|0.044752|0.068400|0.076250|0.092667|0.209261|0.213118|0.299833|0.500000| |5.769016|5.195203|10.338701|7.066663|5.820892|4.528224|3.683888|3.540166|4.056171|3.444494|3.073409|2.630961|2.502011|3.639510|3.108457|7.145946|5.302782|8.878680|5.653544|4.975018|5.667656|7.513147|4.072280|4.867509|13.267043|9.022766|17.771258|4.618256|5.097375|2.989433|2.830797|3.209846|5.761191|0.125439|0.101946|0.117584|0.087845|0.083403|0.086319|0.066818|0.062040|0.155481|0.123998|0.107917|0.092783|0.110595|0.125138|0.117989|0.500000| |4.301592|3.780246|4.749054|4.199510|3.904766|4.074705|3.436208|2.948923|2.876673|2.413249|2.093649|1.853214|1.841357|2.767946|2.335788|5.889522|3.233421|3.620447|3.848992|3.109806|2.595598|3.990715|1.973826|1.946340|3.820787|2.521722|2.869399|6.059415|12.566637|17.591170|8.847887|5.523120|6.955413|0.076473|0.086805|0.126592|0.091797|0.072937|0.057397|0.047171|0.046722|0.083267|0.132082|0.084398|0.050478|0.053998|0.053828|0.049204|0.074035|0.500000| |4.825912|4.262211|5.157949|4.439581|3.696835|3.635037|2.984407|2.607567|2.624154|2.231792|1.951460|1.740727|1.734100|2.598879|2.172945|5.465119|3.045859|4.009302|4.384953|3.518172|2.886650|4.402736|2.138473|2.124620|4.147114|2.772304|3.139788|6.716934|12.448917|17.503311|8.817417|6.762003|8.260315|0.084570|0.100963|0.113151|0.078510|0.064296|0.053526|0.044492|0.044238|0.081074|0.152438|0.095497|0.054743|0.057277|0.059877|0.053038|0.079694|0.303786|0.500000| |5.766365|4.924481|5.643590|4.480789|4.195138|3.885456|3.351495|3.116496|3.261909|2.801492|2.339475|2.088387|2.141483|3.344687|2.855686|7.704403|3.763674|3.455629|3.283857|2.663101|2.351237|3.604013|1.836571|1.874476|3.743967|2.411887|2.842041|6.441190|9.332318|8.881100|17.552732|8.885813|9.384813|0.097545|0.114615|0.107428|0.084781|0.076516|0.061989|0.052139|0.054113|0.101510|0.102253|0.069507|0.046824|0.050252|0.051955|0.047992|0.077198|0.216833|0.173782|0.500000| |5.127598|4.134594|4.684206|3.630927|3.234803|3.059708|2.663175|2.464032|2.547359|2.246241|1.938683|1.761246|1.802330|2.758741|2.284537|5.959686|2.897183|3.048879|3.029143|2.531887|2.224262|3.465995|1.752946|1.781093|3.482845|2.232357|2.549471|5.073073|7.585054|8.796549|17.561456|8.863425|7.752801|0.087439|0.109637|0.087876|0.069315|0.061755|0.051915|0.044669|0.046270|0.079495|0.095195|0.067594|0.045219|0.047383|0.050106|0.045497|0.068317|0.210024|0.214641|0.301920|0.500000| |9.693596|6.998905|6.644766|4.431288|3.728920|3.181856|2.731056|2.640976|2.922150|2.622017|2.206873|2.011697|2.101391|3.306614|2.761294|7.539245|3.509741|3.466268|3.144789|2.601481|2.375848|3.642677|1.874974|1.974550|3.953904|2.506957|2.979037|5.817474|6.764733|5.528447|8.800808|17.598136|12.484644|0.144774|0.214816|0.086483|0.068210|0.065094|0.057846|0.050292|0.053678|0.103475|0.092354|0.066717|0.047882|0.050420|0.055815|0.050598|0.083336|0.123928|0.137711|0.220346|0.205449|0.500000| |7.833406|6.203471|6.222233|4.422193|3.490639|3.079255|2.584830|2.415072|2.592448|2.291633|1.977247|1.795972|1.838087|2.814041|2.331042|6.069767|3.103795|3.738168|3.577062|2.953802|2.626890|4.018048|2.020254|2.107659|4.161975|2.690913|3.133787|6.173284|7.546710|6.619577|8.815605|17.532333|12.406799|0.124454|0.186756|0.087725|0.065710|0.059618|0.052921|0.045522|0.047157|0.089022|0.107643|0.076616|0.051761|0.053520|0.060479|0.053206|0.084235|0.137189|0.191699|0.174231|0.219177|0.301062|0.500000| 1479.211174 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