Version2.1 2021-01-22T08:06:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 04-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)CNC2=[NH+]CCNC23CCN(CC3)S(=O)(=O)c4ccc(cc4)C(C)C C65074842 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)CNC2=[NH+]CCNC23CCN(CC3)S(=O)(=O)c4ccc(cc4)C(C)C C01[X(C25H35N4O2S1)] 195 C1 554 Cc1ccc(cc1)CNC1=[NH+]CCNC21CCN(CC2)S(=O)(=O)c1ccc(cc1)C(C)C Cc1ccc(cc1)CNC1=[NH+]CCNC21CCN(CC2)S(=O)(=O)c1ccc(cc1)C(C)C CC(C)c1ccc(cc1)[S](=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc4ccc(C)cc4 InChIKey=BGECZGNMYWJJTN-UHFFFAOYSA-O InChI=1S/C25H34N4O2S/c1-19(2)22-8-10-23(11-9-22)32(30,31)29-16-12-25(13-17-29)24(26-14-15-28-25)27-18-21-6-4-20(3)5-7-21/h4-11,19,28H,12-18H2,1-3H3,(H,26,27)/p+1 InChI=1/C25H34N4O2S/c1-19(2)22-8-10-23(11-9-22)32(30,31)29-16-12-25(13-17-29)24(26-14-15-28-25)27-18-21-6-4-20(3)5-7-21/h4-11,19,28H,12-18H2,1-3H3,(H,26,27)/p+1/fC25H35N4O2S/h26-27H/q+1 Cc1ccc(cc1)CNC2=[NH+]CCNC23CCN(CC3)S(=O)(=O)c4ccc(cc4)C(C)C C01[X(C25H35N4O2S1)] 195 C01 554 Cc1ccc(cc1)CNC1=[NH+]CCNC21CCN(CC2)S(=O)(=O)c1ccc(cc1)C(C)C C[C]1[CH][CH][C]([CH][CH]1)C[NH][C]1[NH]CCN[C@@]21CCN(CC2)S(=O)(=O)[C]1[CH][CH][C]([CH][CH]1)C(C)C C[C]1[CH][CH][C]([CH][CH]1)CN[C]2NCCNC23CCN(CC3)[S](=O)(=O)[C]4[CH][CH][C]([CH][CH]4)C(C)C InChIKey=GWSWWSAWRMDELC-UHFFFAOYSA-N InChI=1S/C25H35N4O2S/c1-19(2)22-8-10-23(11-9-22)32(30,31)29-16-12-25(13-17-29)24(26-14-15-28-25)27-18-21-6-4-20(3)5-7-21/h4-11,19,26-28H,12-18H2,1-3H3 InChI=1/C25H35N4O2S/c1-19(2)22-8-10-23(11-9-22)32(30,31)29-16-12-25(13-17-29)24(26-14-15-28-25)27-18-21-6-4-20(3)5-7-21/h4-11,19,26-28H,12-18H2,1-3H3 3469.6914730118 -1731.8763628 1-A 19955.8459 122 432 554 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.27801 -20.62358 -20.62320 -15.77875 -15.76835 -15.69245 -15.68520 -11.52261 -11.43611 -11.42123 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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| 9.0542 16.1234 20.4576 22.3420 30.2197 32.3619 33.5834 52.1051 60.8859 73.6308 94.5748 104.8399 125.1832 147.1605 174.3242 184.4000 191.1154 202.4019 213.3555 229.2607 239.9813 249.1776 266.0995 273.7339 291.0752 295.0099 314.4460 326.4567 335.6213 367.8703 376.7093 402.6285 414.6756 421.7625 440.0467 443.9012 452.8177 456.2590 459.3629 502.9583 511.2702 517.9900 523.0052 542.9047 555.3369 585.3508 601.8835 621.3972 633.7950 635.5498 663.4182 687.5215 693.4593 703.0928 714.1833 738.8971 762.6449 785.5048 787.5782 799.7099 819.3357 828.8517 846.9844 850.8236 896.6712 906.0801 935.0781 944.9117 955.0439 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3256.9928 3261.9008 3269.4673 3271.5871 3273.7677 3274.6507 3278.7015 3279.9851 3280.7995 3284.6599 3295.1080 3302.1305 3314.7244 3316.0762 3353.0334 3353.3671 3353.8933 3372.1180 3377.8020 3379.9772 3383.4261 3401.8025 3414.5164 3778.0417 3847.2119 3873.0596 4.7691 4.8430 1.9995 2.7141 2.6468 2.3294 2.6781 3.4413 4.6357 3.5753 3.6733 4.1603 4.6145 5.2223 4.6879 3.2836 4.1517 4.0956 4.3190 4.5616 2.8644 1.1377 1.9426 1.8650 2.9285 3.0599 2.3442 3.6214 2.0796 2.9086 3.0612 4.0753 2.4314 2.7004 3.8371 3.3852 2.3890 2.9119 3.3226 3.5874 3.7575 3.6863 3.9020 5.2989 3.4021 4.6254 2.9533 3.5953 3.1662 1.1231 3.0024 1.5286 6.7620 6.6413 2.3009 4.1453 3.5595 3.1554 2.6665 2.4985 3.7311 2.4646 3.4698 5.2264 1.5169 2.3204 2.0493 1.4245 2.6666 1.2485 1.7749 1.7613 2.4818 1.1458 3.0679 2.4395 1.5645 2.4906 1.8309 1.9869 1.3861 1.3717 1.3630 3.3510 1.4898 2.6385 1.3484 3.6912 1.6742 2.1481 1.7723 2.7805 1.5701 2.1498 3.1097 2.8378 1.8772 1.9475 2.1408 3.1037 2.9421 3.5016 2.8880 2.7678 2.1775 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0.5493 1.8585 0.0243 0.2684 1.0788 0.8576 0.1459 0.0632 0.5485 0.1767 0.0835 0.0328 0.1473 1.5491 0.7176 2.0357 1.6740 1.2254 6.3782 4.1193 1.4911 0.0616 0.9186 0.3324 0.8587 0.7629 2.4770 1.9100 1.5994 7.9428 1.7048 2.5679 0.5033 3.1219 5.8902 2.0602 3.0503 0.2008 0.3982 1.9796 2.9969 3.9340 2.6967 1.2534 3.0843 16.2352 24.3252 31.1959 31.5248 113.9556 54.0331 15.4340 6.5458 0.0797 18.5986 194.4391 2.8926 26.4735 123.8247 17.2892 27.7108 32.7243 17.3410 42.6613 5.4976 21.5501 22.0562 17.0472 25.4693 0.0149 4.4789 7.0568 154.7675 1.0293 42.6953 17.5323 0.2921 8.7399 4.1555 8.0279 7.9528 0.7210 0.0536 3.1517 0.4032 2.3182 0.1466 50.7354 5.3741 92.2119 22.4462 7.7150 10.8372 19.9660 19.6802 47.6337 1.7722 19.4198 0.6119 40.4136 42.7992 71.0871 133.8584 28.0639 8.4121 74.8058 2.0941 5.1874 0.8519 6.5477 0.9412 3.9750 4.8060 3.9764 26.2703 21.9752 28.0461 17.3057 11.3264 149.2446 27.9019 0.0832 24.0727 0.9652 10.5915 35.6352 101.3087 39.7296 10.1195 9.3427 2.1394 46.0863 0.2133 4.2078 4.4337 30.6490 24.2165 74.1574 0.6074 0.0210 9.2459 18.6586 10.2391 2.5766 4.1026 5.5444 4.6993 3.5883 1.7461 26.6960 13.9194 18.8604 5.1734 14.2878 200.6656 5.1642 0.0413 53.1804 669.8623 0.3515 32.9601 25.1299 21.0137 12.2589 19.4537 17.5371 31.2719 12.0873 26.6915 8.3335 4.1791 17.5600 23.8712 17.7219 10.6675 87.3443 19.8101 36.1768 51.8320 16.2820 13.7286 19.6901 13.5399 9.9881 12.7590 1.8792 9.7888 20.4162 2.2194 10.1194 3.2270 0.9067 8.9867 83.8237 75.6324 0.8652 0.1395 3.8381 1.8058 1.3873 4.3788 1.8413 6.1986 0.6950 0.4094 0.4473 0.3288 1.0852 0.2773 0.5986 0.9132 2.0321 2.0387 2.5422 1.8176 0.7743 0.0748 0.8921 1.1381 1.1395 0.9535 0.1097 0.4440 0.5212 0.8257 1.8312 1.4733 0.0904 1.8644 1.1515 1.8851 1.1490 0.0291 0.2311 1.2076 0.1962 1.4631 1.3759 2.1295 0.6467 1.1081 0.5338 0.2648 1.0149 0.0632 0.1354 1.1682 7.2672 5.8976 5.9980 5.0837 15.4077 1.9181 11.3135 1.1288 2.6309 4.6377 2.6079 15.1585 1.6521 22.2197 8.3075 1.0206 4.5855 3.0022 4.2452 4.5457 2.0801 0.2856 3.9162 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12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 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 14372.2095 23455.4176 33039.9905 0.99935 0.03446 0.01024 -0.03440 0.99939 -0.00610 -0.01044 0.00574 0.99993 1 0.00603 0.00369 0.00262 0.12557 0.07694 0.05462 13.03 23.20 29.43 32.15 43.48 46.56 48.32 74.97 87.60 105.94 136.07 150.84 180.11 211.73 250.81 265.31 274.97 291.21 306.97 329.86 345.28 358.51 382.86 393.84 418.79 424.45 452.42 469.70 482.88 529.28 542.00 579.29 596.63 606.82 633.13 638.67 651.50 656.45 660.92 723.64 735.60 745.27 752.49 781.12 799.01 842.19 865.98 894.05 911.89 914.41 954.51 989.19 997.73 1011.59 1027.55 1063.11 1097.28 1130.17 1133.15 1150.60 1178.84 1192.53 1218.62 1224.15 1290.11 1303.65 1345.37 1359.52 1374.10 1374.49 1384.94 1385.91 1434.18 1462.13 1463.08 1495.92 1503.41 1511.18 1524.26 1526.57 1562.29 1576.95 1589.25 1599.57 1602.51 1607.20 1611.77 1617.94 1633.29 1644.89 1677.52 1688.00 1691.08 1712.52 1724.91 1732.43 1733.31 1737.46 1759.85 1795.83 1802.33 1827.00 1837.51 1873.74 1880.08 1882.14 1886.30 1893.54 1894.24 1899.54 1922.30 1929.21 1938.19 1994.31 1995.34 2016.78 2040.59 2079.37 2083.58 2095.46 2109.06 2122.80 2125.99 2127.54 2162.73 2164.67 2172.25 2194.66 2203.34 2213.45 2238.54 2244.64 2257.69 2259.61 2268.36 2268.57 2277.86 2293.33 2334.70 2346.65 2349.98 2350.33 2352.59 2355.81 2370.98 2371.08 2374.73 2376.27 2388.52 2393.77 2396.33 2411.20 2411.90 2437.40 2513.75 2537.95 2550.03 2593.61 2607.14 2618.17 4611.32 4618.59 4622.63 4623.11 4634.80 4643.47 4649.66 4656.15 4671.20 4686.09 4693.15 4704.03 4707.08 4710.22 4711.49 4717.32 4719.17 4720.34 4725.89 4740.93 4751.03 4769.15 4771.09 4824.27 4824.75 4825.50 4851.73 4859.90 4863.03 4868.00 4894.44 4912.73 5435.76 5535.28 5572.47 0.622505 0.651643 0.652587 0.557118 -1731.253857 -1731.224720 -1731.223776 -1731.319245 3.202046D-04 MUNgauss RevisionA2.0 retrievium 22-Jan-2021 DUDE Cc1ccc(cc1)CNC2=[NH+]CCNC23CCN(CC3)S(=O)(=O)c4ccc(cc4)C(C)C C65074842 RHF 6-31G(d) (6D,10F) C1 455.248073 |X|Y|Z| 82.440257 107.888265 38.979383 70.250513 26 6 7 16 21 4 1 |36.858105| |12.616193|36.858105| |7.543360|13.700142|36.858105| |5.010622|7.888305|13.764254|36.858105| |4.415909|6.793241|7.916325|13.722582|36.858105| |5.013564|7.888405|6.899726|7.964676|13.710058|36.858105| |7.548947|13.687713|7.980561|6.899592|7.916208|13.776691|36.858105| |3.272382|4.418254|5.026059|7.571675|12.636411|7.570983|5.027107|36.858105| |2.944843|3.810381|4.243768|5.800732|7.792840|5.838818|4.259692|12.908638|53.358707| |2.450161|3.019564|3.307833|4.223220|5.131505|4.236354|3.314828|7.650768|19.799611|36.858105| |2.221527|2.693503|2.941032|3.704049|4.421257|3.706094|2.942588|6.690275|11.419115|14.520155|53.358707| |2.303384|2.817627|3.087346|3.950134|4.814405|3.964410|3.094672|7.774828|10.600494|9.600897|25.994762|0.500000| |1.896977|2.230295|2.404125|2.895425|3.296043|2.893642|2.403474|4.419437|7.071060|7.661325|17.622851|0.251389|36.858105| |1.806634|2.097117|2.262266|2.672953|2.949525|2.614544|2.226928|3.725697|6.318289|6.782908|10.636356|0.158807|12.541716|36.858105| |1.911785|2.225653|2.371106|2.781295|3.111984|2.810014|2.389185|3.844863|7.050198|7.721560|9.460268|0.141704|7.801233|13.177304|53.358707| |2.224557|2.652109|2.857318|3.436269|3.908963|3.438566|2.859188|4.900996|10.495152|12.343973|10.465512|0.156521|6.420749|7.751778|17.911018|36.858105| |2.237236|2.639660|2.927789|3.485734|3.681427|3.160245|2.727683|4.317130|8.477147|7.593204|7.514611|0.124120|4.838772|6.025281|10.560864|12.301576|36.858105| |2.017686|2.307589|2.498787|2.832459|2.939860|2.646117|2.368640|3.260141|5.849358|4.917846|5.406247|0.093137|3.787893|4.860137|8.672383|7.512472|12.487607|36.858105| |2.092326|2.377588|2.503719|2.774440|2.927022|2.736081|2.475861|3.140102|5.608824|4.465655|4.835123|0.085056|3.317134|3.992010|7.357382|6.566912|7.820914|13.021500|53.358707| |2.061208|2.356757|2.429134|2.708825|2.980286|2.856027|2.533795|3.271600|5.923191|4.891325|5.282462|0.091625|3.649263|4.334321|8.731904|7.501930|6.538663|7.808917|17.694155|36.858105| |2.300862|2.719176|2.817506|3.260911|3.769801|3.555749|3.001412|4.351496|8.739798|7.516685|7.192101|0.120620|4.553877|5.081509|10.687783|12.338298|7.588805|6.566104|10.673986|12.478549|36.858105| |1.885962|2.078298|2.159852|2.313749|2.387308|2.281531|2.133897|2.483466|4.147819|3.207870|3.694763|0.067069|2.609276|3.074393|5.213506|4.188604|4.807936|7.208890|15.500667|7.216198|4.816194|388.023441| |1.891622|2.064719|2.094685|2.209970|2.309935|2.272907|2.148197|2.364859|3.885164|2.944081|3.413644|0.062767|2.395614|2.730846|4.614238|3.697033|3.888301|5.025937|10.500635|6.798789|4.585958|94.764726|73.516695| |1.671794|1.831607|1.913386|2.056498|2.115064|2.008361|1.874727|2.235018|3.667123|2.915567|3.481815|0.063109|2.552927|3.090577|5.089769|3.779591|4.315010|6.548842|10.238435|5.681372|4.031665|94.604610|13.651969|73.516695| |1.985254|2.160849|2.273604|2.389508|2.377599|2.251983|2.154637|2.399655|3.901106|2.895025|3.353089|0.062151|2.322984|2.658217|4.260775|3.530897|4.321935|5.835102|9.625676|4.759728|3.818361|76.894540|12.954610|13.057120|36.858105| |2.226780|2.403877|2.506069|2.574510|2.532183|2.429602|2.372325|2.472182|3.960964|2.822892|3.243728|0.061030|2.194615|2.431364|3.862182|3.297599|3.914311|4.689858|7.836879|4.270427|3.658271|49.680601|11.109540|8.767829|13.733886|36.858105| |2.242227|2.368825|2.486979|2.495143|2.384147|2.281344|2.275652|2.284944|3.542117|2.489523|2.917824|0.055751|1.974588|2.153767|3.311909|2.791652|3.307646|3.749459|5.686063|3.298082|2.980188|33.783175|7.729918|6.805445|7.976012|13.793936|36.858105| |2.007919|2.110203|2.244171|2.264185|2.144857|2.028295|2.014406|2.083930|3.193045|2.281909|2.727535|0.052206|1.875054|2.059476|3.100656|2.548691|3.060675|3.500080|4.968235|2.896263|2.624179|29.812877|6.534942|6.549647|6.845467|7.876860|13.665599|36.858105| |1.825811|1.940773|2.072848|2.135854|2.049958|1.923238|1.877342|2.041764|3.165614|2.323038|2.795111|0.052958|1.955771|2.195379|3.302852|2.657606|3.250649|3.918766|5.366465|3.046589|2.688747|33.746108|6.893578|7.907728|7.968794|6.873565|7.963322|13.682320|36.858105| |1.815265|1.957617|2.081629|2.182976|2.139841|2.007508|1.928305|2.170607|3.451730|2.585986|3.077202|0.057406|2.169243|2.492985|3.849270|3.082482|3.822021|5.041570|7.058940|3.761586|3.153500|49.630847|8.972381|11.666521|13.740654|7.905022|6.878664|7.879416|13.770362|36.858105| |1.951267|2.007686|2.135313|2.112774|1.970543|1.869709|1.885785|1.892010|2.821987|1.999900|2.431350|0.047157|1.673609|1.808587|2.666549|2.169485|2.547382|2.790300|3.877030|2.368251|2.207742|22.334936|5.088149|5.090406|4.425660|5.001490|7.530415|12.519265|7.494997|4.989580|36.858105| |1.708971|1.742118|1.827931|1.808421|1.708607|1.638415|1.653257|1.652732|2.449672|1.755474|2.162239|0.042000|1.508584|1.631121|2.393163|1.906709|2.189011|2.419393|3.380474|2.113220|1.949652|20.012206|4.659236|4.712159|3.754940|4.021793|5.329685|7.534020|6.074636|4.315646|12.408492|36.858105| |1.933100|1.997539|2.169753|2.157996|1.979235|1.846643|1.854580|1.908135|2.815343|1.996812|2.451318|0.047774|1.688708|1.818715|2.631437|2.134417|2.538186|2.710630|3.606007|2.215274|2.109991|19.894479|4.446697|4.652286|3.744506|3.999234|5.296085|7.525812|6.087120|4.310327|12.410562|7.515089|36.858105| |17.543104|8.874101|6.215941|4.434616|3.977641|4.479620|6.338005|3.037074|3.648934|2.264034|2.850106|0.060910|1.802526|1.702656|2.424103|2.042343|2.039499|1.840765|2.575857|1.876178|2.091047|12.181970|3.050681|2.731772|1.789926|1.979433|1.993098|1.810829|1.662556|1.652808|1.771195|1.568414|1.767413|0.500000| |17.580800|8.842554|5.661225|4.204862|3.951658|4.692241|7.052411|3.023134|3.803625|2.351084|2.889482|0.060618|1.826978|1.750287|2.546267|2.168568|2.162227|1.977970|2.839280|2.071532|2.292168|13.498479|3.436635|2.975033|1.988393|2.247910|2.252169|1.995235|1.807772|1.803271|1.932129|1.704257|1.883607|0.302160|0.500000| |17.586341|8.840209|7.123655|4.711345|3.950622|4.188921|5.621730|3.022103|3.784189|2.340910|2.884363|0.060560|1.824441|1.757596|2.526645|2.156235|2.216237|2.015839|2.830117|2.012386|2.213403|13.464350|3.351683|2.986137|2.032138|2.297691|2.361973|2.124383|1.909124|1.872408|2.093869|1.819497|2.087709|0.302082|0.301502|0.500000| |6.991044|8.911320|17.716696|8.951493|5.644828|4.965883|5.660430|4.102884|4.907100|2.930621|3.595008|0.076443|2.209315|2.105749|2.977844|2.595672|2.729044|2.369460|3.199856|2.241465|2.535868|14.687894|3.536242|3.277211|2.217315|2.448983|2.489761|2.278155|2.087551|2.061207|2.209613|1.882131|2.280188|0.165761|0.143887|0.214771|0.500000| |4.092783|5.630604|8.943295|17.693583|8.894161|5.648988|4.964041|7.000716|7.668242|4.293879|5.215999|0.113287|3.012010|2.796072|3.875114|3.494301|3.680729|2.940504|3.791402|2.666191|3.172799|16.489538|3.860203|3.708725|2.416246|2.563559|2.503086|2.314499|2.204381|2.243647|2.165428|1.844549|2.255548|0.103464|0.097015|0.112089|0.216973|0.500000| |4.095229|5.630120|4.964065|5.649405|8.889834|17.692992|8.947394|7.001624|7.754937|4.319223|5.222284|0.114090|3.008777|2.680535|3.951307|3.498913|3.076935|2.598629|3.698678|2.933119|3.710267|16.084579|4.055758|3.553797|2.178866|2.323338|2.152260|1.916039|1.834629|1.935280|1.756783|1.555893|1.723289|0.104783|0.111458|0.096570|0.107712|0.123936|0.500000| |7.001295|8.907245|5.660860|4.965672|5.643969|8.954668|17.714994|4.103335|4.930338|2.939039|3.597389|0.076692|2.208224|2.055379|3.012351|2.597998|2.454736|2.180089|3.144287|2.393331|2.786243|14.402909|3.685144|3.169599|2.030385|2.237904|2.144790|1.896216|1.766444|1.815266|1.781071|1.578972|1.735221|0.171262|0.210282|0.142472|0.124213|0.107709|0.217023|0.500000| |3.031046|3.965647|4.220221|5.674064|8.893178|7.143704|4.730652|17.573210|12.398826|6.801685|9.098608|0.232942|4.515190|3.633607|5.051765|4.478361|3.751824|2.941096|3.913588|3.094913|4.104586|16.420359|3.969891|3.730564|2.192183|2.244760|2.069355|1.892936|1.862954|1.986610|1.725152|1.526458|1.729660|0.079735|0.079114|0.076631|0.097260|0.143683|0.213707|0.112348|0.500000| |3.029483|3.963946|4.734012|7.162482|8.887410|5.659023|4.214095|17.574829|12.399508|6.821286|9.129681|0.230318|4.533375|3.765923|5.011061|4.505780|4.184003|3.144653|3.978553|2.970411|3.792445|16.664652|3.906060|3.816664|2.292302|2.335394|2.188187|2.032122|2.004764|2.115070|1.860981|1.626183|1.906804|0.079397|0.076617|0.079330|0.112499|0.214984|0.143202|0.097094|0.300609|0.500000| |3.177931|4.140001|4.572071|6.036087|7.692684|6.091538|4.597274|9.044622|26.037332|9.616773|8.209362|0.154064|4.268523|4.095027|6.528786|7.378377|6.540896|4.637786|6.350291|4.804320|7.079613|24.060039|5.660910|5.138610|3.223202|3.352477|2.957487|2.602441|2.544377|2.780534|2.271427|1.948710|2.239407|0.078445|0.084517|0.083795|0.107118|0.156832|0.159117|0.107861|0.188385|0.188616|0.500000| |1.820981|2.124788|2.244514|2.655758|3.065071|2.786738|2.322107|4.004754|6.202412|6.227447|12.428526|0.208096|17.582249|8.813397|9.197195|5.451262|4.046911|3.349755|4.172776|3.492567|4.315890|17.504843|4.110276|4.285459|2.165855|2.056160|1.847465|1.747213|1.815585|2.012669|1.564644|1.421973|1.566252|0.048284|0.049107|0.048330|0.057101|0.075117|0.082456|0.060130|0.119374|0.110263|0.106477|0.500000| |1.820604|2.126666|2.313004|2.777495|3.086944|2.687183|2.260472|4.070923|6.051028|5.877558|12.520378|0.226947|17.614220|8.783388|7.680296|4.923726|4.144512|3.319859|3.926016|3.067756|3.672127|16.625505|3.808777|4.108316|2.130376|2.018534|1.845278|1.772347|1.848473|2.023209|1.600392|1.446461|1.632075|0.048450|0.048379|0.048827|0.059672|0.081640|0.076585|0.057619|0.115026|0.122219|0.102779|0.301416|0.500000| |1.642159|1.878870|2.005871|2.322938|2.539583|2.299657|1.991124|3.106601|5.039201|4.962214|7.698032|0.126213|8.883898|17.616551|12.530841|5.658078|4.704238|4.200964|4.833628|3.879774|4.254581|20.419104|4.577184|5.290783|2.461736|2.234112|1.988137|1.917872|2.059367|2.338201|1.693301|1.546365|1.699245|0.043224|0.044403|0.044439|0.052249|0.067111|0.065835|0.051646|0.085702|0.087133|0.093099|0.218534|0.203986|0.500000| |1.811328|2.098646|2.302395|2.727944|2.923463|2.541693|2.187612|3.642265|6.099748|6.199882|9.238609|0.145886|8.870598|17.597907|12.490666|6.982218|6.624849|5.201276|5.423617|4.022942|4.550465|22.005130|4.760535|5.584277|2.756697|2.501299|2.238441|2.169489|2.332860|2.637106|1.906351|1.708884|1.942608|0.047369|0.048411|0.049394|0.060216|0.081125|0.070862|0.055657|0.095426|0.105653|0.111386|0.173946|0.218967|0.303992|0.500000| |1.853417|2.144625|2.242515|2.595256|2.946844|2.741312|2.334926|3.590558|6.361102|6.523385|8.334591|0.130948|6.986510|9.370899|25.916885|9.325679|5.780335|5.183794|6.667461|6.414895|7.760520|25.814144|5.971363|6.289560|2.910103|2.666124|2.283200|2.124014|2.246359|2.608536|1.836424|1.664351|1.795571|0.048115|0.050797|0.049659|0.057229|0.072474|0.080391|0.060894|0.099718|0.093554|0.121184|0.195529|0.141185|0.227328|0.181661|0.500000| |2.116026|2.482038|2.796494|3.350285|3.457335|2.916167|2.529698|4.124099|7.511396|6.843287|7.664326|0.127527|5.167878|6.612035|9.628841|8.740290|17.569374|8.888144|7.689016|4.896468|5.501495|28.454444|5.808820|6.791632|3.747118|3.382976|2.981501|2.857183|3.070604|3.517339|2.433241|2.102850|2.488603|0.054167|0.056259|0.058510|0.073463|0.101624|0.078387|0.063120|0.099716|0.117478|0.149795|0.114710|0.128385|0.140960|0.234744|0.144283|0.500000| |2.528179|3.030651|3.431535|4.134771|4.255804|3.564611|3.085302|4.780544|9.488840|7.101154|6.837945|0.119339|4.146285|4.674615|7.653772|8.770159|17.571991|8.918713|9.629535|5.732333|6.823070|32.633245|6.775765|6.962992|4.486079|4.316219|3.687905|3.330284|3.412252|3.890388|2.768190|2.322414|2.762844|0.063114|0.067405|0.069970|0.088478|0.121729|0.093565|0.075741|0.110214|0.126904|0.226300|0.098483|0.101637|0.105097|0.140397|0.127624|0.303197|0.500000| |1.824083|2.067363|2.221561|2.506604|2.619226|2.379968|2.132435|2.943169|5.125066|4.474945|5.227240|0.089507|3.911107|5.372829|9.524921|6.730962|8.804866|17.592382|12.280430|7.012572|5.731822|45.325376|8.178245|12.276227|4.881716|3.890150|3.204781|3.076994|3.513319|4.493090|2.510013|2.234573|2.451941|0.046709|0.049755|0.050467|0.058700|0.072336|0.065749|0.055029|0.075527|0.079759|0.108246|0.096739|0.095227|0.134636|0.159313|0.157264|0.214510|0.174008|0.500000| |1.998117|2.259751|2.472481|2.762104|2.775143|2.487569|2.270405|2.995249|5.147416|4.115868|4.672553|0.083014|3.267735|4.032936|6.525390|5.506084|8.948768|17.626177|12.448126|5.664446|4.930235|49.351117|8.329951|11.534285|6.828536|5.209437|4.261488|4.126267|4.818124|6.360241|3.204365|2.727046|3.147421|0.050579|0.054186|0.056179|0.066295|0.080728|0.066806|0.057939|0.074409|0.081657|0.114014|0.080392|0.082368|0.099181|0.124088|0.112061|0.215094|0.219979|0.302067|0.500000| |1.857169|2.103745|2.169871|2.415975|2.648799|2.536057|2.255781|2.952104|5.176925|4.455200|5.112275|0.088131|3.754858|4.665568|9.616898|6.725600|5.716440|7.011185|12.256424|17.550303|8.787966|45.318656|10.514093|10.439971|4.172559|3.628772|2.896790|2.626793|2.822172|3.486184|2.177756|1.977255|2.054001|0.047482|0.051738|0.050385|0.056026|0.066673|0.072875|0.059560|0.079025|0.075881|0.111056|0.101483|0.087322|0.121028|0.117140|0.208863|0.128061|0.132239|0.208020|0.143208|0.500000| |2.071267|2.339425|2.360232|2.573827|2.832723|2.802987|2.533193|3.009346|5.231978|4.088462|4.536520|0.081182|3.117802|3.534996|6.569872|5.499935|4.918091|5.674913|12.473181|17.686230|8.917339|49.580076|14.579708|9.285991|4.640042|4.357231|3.327123|2.856670|2.943195|3.583325|2.343557|2.110010|2.151861|0.052220|0.058630|0.056006|0.060438|0.069218|0.080597|0.067572|0.080057|0.075161|0.119545|0.084803|0.074185|0.090095|0.091407|0.139842|0.108054|0.129077|0.143481|0.127493|0.302014|0.500000| |2.622488|3.152694|3.242338|3.745783|4.381079|4.185404|3.515203|4.801483|9.798749|6.984944|6.547376|0.115500|3.941129|4.161903|7.693180|8.754028|6.826665|5.776310|9.727908|8.984104|17.597677|32.876865|8.054557|6.589792|3.925469|3.982952|3.241732|2.774998|2.762533|3.176584|2.335287|2.034680|2.218217|0.065123|0.072848|0.069779|0.079767|0.098623|0.119535|0.089678|0.121997|0.112001|0.256989|0.103322|0.091598|0.097826|0.108014|0.151830|0.139349|0.200722|0.132940|0.129880|0.174486|0.220939|0.500000| |2.214178|2.603557|2.642022|3.033136|3.597112|3.514338|2.941924|4.192468|7.868492|6.780187|7.130829|0.121660|4.626796|4.878036|9.787607|8.777750|5.502479|4.902430|7.684132|8.851318|17.531508|28.432721|7.131948|6.193882|3.204839|3.103370|2.590124|2.301651|2.348081|2.708780|1.973518|1.768194|1.887473|0.056453|0.061692|0.058477|0.065692|0.080869|0.106153|0.077236|0.116289|0.100299|0.165213|0.129792|0.102169|0.117256|0.115606|0.232683|0.122882|0.139544|0.128016|0.108112|0.213080|0.213529|0.302951|0.500000| |2.384684|2.586139|2.643503|2.703951|2.706536|2.648624|2.592130|2.613350|4.213249|2.956044|3.354066|0.063194|2.241540|2.451521|3.955243|3.436916|3.898623|4.492329|8.065413|4.668184|4.021572|47.355724|12.279018|8.052450|8.904182|17.741535|8.916665|5.617878|4.954490|5.633156|4.083238|3.400088|3.373168|0.058388|0.067739|0.067620|0.070595|0.073246|0.070753|0.068376|0.066197|0.067282|0.100992|0.058842|0.056759|0.062322|0.068868|0.076967|0.091503|0.120509|0.103545|0.129335|0.106337|0.139255|0.126186|0.094973|0.500000| |2.424946|2.516941|2.610901|2.553490|2.416668|2.343367|2.388049|2.262884|3.442671|2.372809|2.790721|0.053906|1.872236|2.006131|3.062846|2.591986|2.989050|3.244728|4.920923|2.994328|2.787359|27.930749|6.750393|5.708281|5.669595|8.970151|17.719294|8.903493|5.654525|4.955219|7.006752|5.036309|4.986258|0.059335|0.068187|0.071752|0.073083|0.070247|0.060954|0.062809|0.056988|0.059903|0.080141|0.048908|0.048749|0.051419|0.057551|0.059123|0.075188|0.093609|0.077815|0.099215|0.072995|0.085146|0.085690|0.068296|0.216023|0.500000| |1.689665|1.786283|1.912762|1.969914|1.884330|1.764043|1.723100|1.885738|2.886253|2.131992|2.608293|0.049644|1.845251|2.068891|3.053044|2.409885|2.917945|3.449706|4.567251|2.678188|2.395390|27.933516|5.816041|6.961203|5.673036|4.953640|5.649167|8.887985|17.732025|8.983858|6.930500|6.303355|6.331931|0.043100|0.046295|0.049141|0.053862|0.056868|0.046804|0.045106|0.048018|0.051939|0.063481|0.047596|0.048919|0.054402|0.061445|0.057717|0.078641|0.083792|0.088733|0.116518|0.070362|0.071506|0.067613|0.058865|0.107575|0.124035|0.500000| |1.676232|1.810914|1.925908|2.037008|2.012805|1.884138|1.795597|2.074903|3.297406|2.525399|3.050456|0.056615|2.195675|2.568701|3.934096|3.043101|3.745098|5.090038|6.740268|3.681849|3.051675|47.367663|8.377477|13.638040|8.922619|5.637482|4.958069|5.617427|8.899596|17.753725|4.069754|3.721609|3.712545|0.042741|0.046165|0.047762|0.052855|0.058437|0.050834|0.047049|0.053157|0.056539|0.072467|0.056598|0.057028|0.067859|0.075853|0.073937|0.097950|0.101470|0.134655|0.177206|0.098647|0.095697|0.082955|0.073513|0.124104|0.107618|0.216165|0.500000| |2.104321|2.136685|2.254739|2.190265|2.029646|1.943027|1.988139|1.916366|2.832609|1.978452|2.398769|0.046807|1.636106|1.747388|2.580977|2.118645|2.450450|2.627020|3.712327|2.307160|2.179712|20.974520|4.919396|4.683884|4.026859|4.850107|7.477206|9.020615|5.609400|4.205747|17.542755|8.946401|8.947119|0.052702|0.058151|0.063356|0.065166|0.061720|0.050439|0.052296|0.048518|0.052056|0.063740|0.042641|0.043414|0.045305|0.050815|0.049636|0.064536|0.074899|0.065300|0.081981|0.058443|0.064104|0.064939|0.054390|0.115247|0.231825|0.140108|0.096433|0.500000| |1.596823|1.639811|1.727272|1.727780|1.640906|1.565871|1.565851|1.606229|2.389068|1.731985|2.145312|0.041532|1.511045|1.646917|2.405613|1.894437|2.184467|2.445491|3.364992|2.096219|1.919323|20.135350|4.604177|4.887903|3.733785|3.764753|4.676772|6.723003|6.496015|4.545499|8.733470|17.554435|6.793543|0.040925|0.044095|0.046923|0.049231|0.049243|0.041488|0.041499|0.041304|0.044104|0.052407|0.039516|0.040332|0.043603|0.048129|0.046374|0.058796|0.063487|0.063549|0.077199|0.055100|0.057673|0.054963|0.048365|0.087881|0.117296|0.213089|0.112662|0.173663|0.500000| |1.665226|1.679449|1.759627|1.725847|1.621525|1.558485|1.583581|1.560390|2.284604|1.630426|2.022955|0.039549|1.411122|1.512462|2.199701|1.747650|1.986381|2.154511|2.990412|1.902030|1.779117|17.307727|4.076796|4.098025|3.116057|3.348619|4.289859|5.496033|4.590769|3.486083|8.800966|17.556817|6.882072|0.042664|0.046063|0.049515|0.050718|0.048903|0.041032|0.042106|0.040129|0.042794|0.050214|0.037019|0.037778|0.039898|0.043983|0.042600|0.053399|0.058579|0.055591|0.066695|0.049615|0.052774|0.051629|0.045169|0.081354|0.118532|0.134128|0.085930|0.215935|0.301955|0.500000| |1.691386|1.718622|1.781475|1.758318|1.677525|1.625247|1.643801|1.620448|2.408141|1.726088|2.121462|0.041161|1.481079|1.600649|2.367593|1.883552|2.133845|2.375483|3.400049|2.143168|1.957198|20.583653|4.919349|4.798777|3.829956|4.178156|5.444764|6.908947|5.582722|4.238915|8.750883|17.566176|5.468312|0.043061|0.047288|0.049753|0.050550|0.049346|0.043103|0.043916|0.041788|0.043961|0.053376|0.039004|0.039261|0.042257|0.046191|0.046081|0.056331|0.062644|0.061080|0.073280|0.055642|0.060272|0.056809|0.049517|0.099372|0.145354|0.151161|0.101198|0.213109|0.301611|0.301324|0.500000| |1.783453|1.857396|2.021004|2.039976|1.887666|1.753008|1.741465|1.848966|2.740823|1.973583|2.440333|0.047359|1.700764|1.849836|2.659098|2.127708|2.548434|2.761671|3.596517|2.199706|2.078367|20.006686|4.390265|4.817639|3.722140|3.744556|4.651808|6.714153|6.509031|4.537611|8.731610|6.792836|17.552910|0.045614|0.048216|0.052978|0.058588|0.059638|0.045735|0.045281|0.046714|0.051632|0.059980|0.043714|0.045807|0.048271|0.055270|0.050217|0.070339|0.075635|0.070373|0.090298|0.057337|0.058817|0.059822|0.051653|0.087236|0.116415|0.214485|0.112294|0.173644|0.200619|0.168888|0.139038|0.500000| 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