Version2.1 2021-01-11T03:17:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)c1ccc(cc1)S(=O)(=O)N2CCC3(CC2)C(=[NH+]CCN3)NCc4ccc(cc4)Cl C65074845 RHF 6-31G(d) (6D,7F) CC(C)c1ccc(cc1)S(=O)(=O)N2CCC3(CC2)C(=[NH+]CCN3)NCc4ccc(cc4)Cl C01[X(C24H32Cl1N4O2S1)] 186 C1 552 Clc1ccc(cc1)CNC1=[NH+]CCNC21CCN(CC2)S(=O)(=O)c1ccc(cc1)C(C)C Clc1ccc(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(Cl)cc4 InChIKey=NKANDFQDWGPZLH-UHFFFAOYSA-O InChI=1S/C24H31ClN4O2S/c1-18(2)20-5-9-22(10-6-20)32(30,31)29-15-11-24(12-16-29)23(26-13-14-28-24)27-17-19-3-7-21(25)8-4-19/h3-10,18,28H,11-17H2,1-2H3,(H,26,27)/p+1 InChI=1/C24H31ClN4O2S/c1-18(2)20-5-9-22(10-6-20)32(30,31)29-15-11-24(12-16-29)23(26-13-14-28-24)27-17-19-3-7-21(25)8-4-19/h3-10,18,28H,11-17H2,1-2H3,(H,26,27)/p+1/fC24H32ClN4O2S/h26-27H/q+1 CC(C)c1ccc(cc1)S(=O)(=O)N2CCC3(CC2)C(=[NH+]CCN3)NCc4ccc(cc4)Cl C01[X(C24H32Cl1N4O2S1)] 186 C01 552 Clc1ccc(cc1)CNC1=[NH+]CCNC21CCN(CC2)S(=O)(=O)c1ccc(cc1)C(C)C Cl[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 CC(C)[C]1[CH][CH][C]([CH][CH]1)[S](=O)(=O)N2CCC3(CC2)NCCN[C]3NC[C]4[CH][CH][C](Cl)[CH][CH]4 InChIKey=BVGCULJNHZJOFM-UHFFFAOYSA-N InChI=1S/C24H32ClN4O2S/c1-18(2)20-5-9-22(10-6-20)32(30,31)29-15-11-24(12-16-29)23(26-13-14-28-24)27-17-19-3-7-21(25)8-4-19/h3-10,18,26-28H,11-17H2,1-2H3 InChI=1/C24H32ClN4O2S/c1-18(2)20-5-9-22(10-6-20)32(30,31)29-15-11-24(12-16-29)23(26-13-14-28-24)27-17-19-3-7-21(25)8-4-19/h3-10,18,26-28H,11-17H2,1-2H3 3603.7641191782 -2151.7323405 1-A 21543.4544 126 426 552 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.91487 -92.28502 -20.63075 -20.63057 -15.78181 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1.9810 1.5732 8.9117 2.7844 0.0973 2.3605 13.2395 3.2532 1.4530 2.5842 2.0733 7.3384 22.1934 69.3258 59.1909 34.1456 54.8828 39.0060 7.0976 0.3759 19.6049 94.4394 147.8259 28.4262 36.5213 36.2949 33.1353 20.9897 20.7571 40.1429 1.5666 19.4124 16.9239 8.4147 38.9147 34.1203 7.5338 6.1530 172.2163 0.6415 20.5363 14.7438 0.3854 0.5209 3.0658 6.2681 8.1582 1.1126 0.0265 3.0639 19.7042 0.2850 4.2772 22.7000 133.2379 22.5281 11.3930 19.7636 1.5330 74.3568 6.5352 85.4812 0.2182 0.5698 13.7840 57.7419 1.8852 182.0998 2.0446 63.2989 2.5186 48.6069 6.4356 5.2556 0.2321 11.8986 6.8622 6.6157 14.4491 12.2798 25.0489 6.8508 11.7471 137.9250 0.2243 24.8078 52.0110 0.8549 8.8117 13.1780 180.3546 22.9723 37.0041 11.3551 2.1432 43.8554 11.9966 4.4043 41.2065 22.8905 105.6683 0.5491 0.0285 8.5099 2.6558 11.2089 7.1001 4.6544 3.1385 1.4481 24.5912 7.0653 3.4500 53.1068 4.2641 240.3015 5.1668 0.2542 57.1993 59.7464 616.4175 29.9077 36.0292 32.7404 24.1548 10.3672 23.3479 15.6717 15.1571 24.1619 20.4966 20.2669 20.4948 9.5510 83.5096 30.5920 38.2378 26.9323 13.7629 11.2667 13.0797 1.8272 9.2673 8.0798 8.8039 9.5368 2.8570 0.8731 0.0811 0.9002 19.2530 82.1182 76.4704 0.8894 0.1400 0.8399 8.0902 2.4769 1.4349 6.3091 0.5293 0.4507 0.2863 0.2913 0.9765 0.2479 1.3877 1.2125 1.1924 2.2038 2.2196 1.8365 0.7880 0.1047 0.9862 0.9211 0.6767 1.3958 0.9100 0.2324 0.6366 0.7055 1.6326 1.7533 0.0676 1.3484 0.9898 1.2553 0.4515 1.0923 0.0877 0.2394 1.3403 0.5291 1.0891 2.0900 1.0450 0.9368 1.7154 0.1354 0.2587 0.5167 0.3694 0.7524 7.2632 5.8363 2.7148 7.3790 14.9424 2.3216 8.2057 6.1426 1.3588 4.0670 1.8141 16.3200 2.1436 20.9872 0.9942 2.1101 1.4200 5.0686 2.7019 6.0185 1.5516 0.3073 4.0483 4.1099 7.9285 0.8847 2.1359 3.1813 0.9486 0.3476 0.0319 0.9696 0.5467 0.0824 0.4554 11.1679 11.9460 10.1242 12.0388 5.4557 0.7457 10.4357 0.5282 18.3283 1.9394 6.4373 0.9978 6.0699 5.6389 15.4792 0.4042 5.8537 4.1121 5.6019 2.5700 1.7666 13.3214 3.9081 12.6561 6.7270 4.8486 11.6043 3.0033 0.9636 1.4275 8.5043 0.5386 11.6392 7.4952 11.1041 1.8770 1.1333 11.0967 1.3668 2.2040 4.7203 1.2042 6.1136 0.0647 1.5407 2.4525 1.7790 3.2311 12.1471 22.7298 3.6258 7.0869 7.6814 32.8366 2.2093 14.9564 6.5809 9.5210 7.3723 0.2461 0.1095 8.6018 4.9011 2.2142 3.5940 88.7926 64.7716 6.8147 50.2812 55.8166 18.7331 151.1965 99.3027 67.0360 76.8982 32.0064 88.6150 130.3417 26.8424 31.6324 32.5076 160.8141 37.1131 99.6915 67.1225 144.9760 71.3137 93.8928 52.2630 50.3856 59.0702 53.7548 57.0748 70.1518 44.5559 135.4423 68.8263 52.3979 62.1512 33.1263 0.7307 0.5781 0.7475 0.7486 0.7498 0.7493 0.7460 0.5263 0.7492 0.7042 0.4051 0.5920 0.5369 0.6339 0.2599 0.4134 0.1742 0.0923 0.6426 0.7427 0.4721 0.7470 0.2074 0.6500 0.5070 0.5934 0.5537 0.5327 0.6209 0.2857 0.6145 0.5580 0.7419 0.6525 0.7285 0.6693 0.1988 0.1908 0.7477 0.7500 0.2430 0.5416 0.5340 0.5224 0.7117 0.7500 0.2036 0.4230 0.6112 0.7499 0.6213 0.6698 0.7500 0.3507 0.0713 0.0860 0.4362 0.0754 0.2553 0.2131 0.0792 0.6172 0.0374 0.6634 0.0607 0.7437 0.6873 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0.6810 0.6946 0.8398 0.7312 0.4894 0.4875 0.8555 0.4866 0.8474 0.2915 0.5937 0.5739 0.3062 0.6449 0.2935 0.3080 0.3696 0.3904 0.2078 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 6 6 6 6 6 6 6 6 6 16 8 8 7 6 6 6 6 6 6 7 1 6 6 7 7 6 6 6 6 6 6 6 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 16530.9060 25269.4506 36783.0511 0.99650 0.08330 0.00707 -0.08334 0.99651 0.00476 -0.00665 -0.00533 0.99996 1 0.00524 0.00343 0.00235 0.10917 0.07142 0.04906 11.36 22.22 31.11 34.34 41.62 45.53 75.07 81.91 104.29 133.30 148.65 168.95 211.33 250.39 259.32 274.19 290.60 307.96 331.10 356.88 358.35 382.37 392.79 404.71 419.60 424.74 468.11 493.16 528.70 539.91 577.48 584.09 591.39 627.55 643.47 652.46 656.43 658.51 661.94 712.75 734.61 747.05 781.34 803.77 839.63 858.34 888.25 893.89 900.35 950.80 984.34 997.21 1001.93 1013.19 1041.96 1071.35 1091.18 1135.98 1141.82 1170.68 1178.30 1193.22 1223.57 1280.64 1304.11 1360.60 1365.33 1367.42 1382.15 1384.76 1385.61 1438.35 1462.53 1465.09 1496.98 1503.60 1514.82 1547.07 1568.96 1572.18 1578.68 1592.09 1599.19 1603.82 1611.39 1623.44 1634.58 1651.33 1677.57 1691.94 1723.21 1724.71 1728.61 1738.32 1746.02 1749.96 1759.63 1787.86 1802.18 1817.37 1830.55 1844.92 1871.56 1881.59 1889.99 1894.01 1899.92 1906.12 1933.30 1938.49 1989.02 1995.01 2012.87 2027.70 2067.59 2083.78 2094.51 2105.06 2113.92 2118.33 2127.45 2163.16 2166.10 2175.75 2190.30 2198.72 2234.82 2238.66 2255.74 2259.52 2259.91 2264.28 2278.14 2281.90 2325.55 2346.50 2351.33 2355.75 2366.55 2371.02 2376.10 2377.70 2388.75 2397.03 2397.37 2411.19 2411.33 2422.43 2528.04 2537.18 2546.31 2592.06 2598.52 2613.72 4595.04 4605.52 4611.69 4619.36 4624.79 4630.61 4646.53 4657.13 4668.39 4699.66 4704.06 4708.24 4714.83 4718.14 4718.97 4720.99 4740.64 4753.85 4760.09 4780.00 4827.07 4842.38 4842.99 4853.97 4869.15 4894.96 4906.12 4907.17 4912.13 5522.04 5537.38 5581.51 0.583210 0.611619 0.612563 0.519049 -2151.149131 -2151.120721 -2151.119777 -2151.213292 3.136508D-04 MUNgauss RevisionA2.0 retrievium 11-Jan-2021 DUDE CC(C)c1ccc(cc1)S(=O)(=O)N2CCC3(CC2)C(=[NH+]CCN3)NCc4ccc(cc4)Cl C65074845 RHF 6-31G(d) (6D,10F) C1 475.193451 |X|Y|Z| 87.570635 110.920231 39.640708 72.750652 26 6 7 16 21 4 1 |36.858105| |12.408152|36.858105| |7.514331|12.410478|36.858105| |7.534856|12.519558|7.526296|36.858105| |5.330397|7.530432|5.295813|13.663711|36.858105| |4.022401|5.001666|3.999130|7.876717|13.795704|36.858105| |3.755717|4.426277|3.744980|6.846853|7.976993|13.730930|36.858105| |4.316098|4.989672|4.310744|7.879282|6.877288|7.901818|13.738422|36.858105| |6.074984|7.494824|6.087869|13.680597|7.961619|6.872141|7.969808|13.771798|36.858105| |2.815204|3.141861|2.798410|4.194197|4.753118|6.990767|10.821516|6.981509|4.747163|388.023441| |2.649287|2.862233|2.616409|3.682440|3.826552|4.929788|7.339210|6.556147|4.445157|94.569070|73.516695| |2.620631|2.861755|2.501119|3.675363|4.347432|6.248069|7.284663|5.045570|3.876897|94.823500|13.648533|73.516695| |2.482713|2.847144|2.648405|3.647957|4.174198|5.750318|7.061792|5.182004|3.940402|80.824553|13.396462|13.708731|53.358707| |2.419945|2.790341|2.710457|3.500518|3.748762|4.688714|5.839105|5.046980|3.920964|51.338993|11.701813|8.945428|17.750933|36.858105| |2.181503|2.535871|2.527113|3.045223|3.286829|3.887827|4.300828|3.809540|3.238200|34.122095|7.694597|6.900177|10.619825|12.476369|36.858105| |1.900526|2.160140|2.125430|2.537113|2.775133|3.277042|3.516931|3.075075|2.649262|29.746461|6.746087|6.563508|8.914560|7.495305|12.274518|36.858105| |1.943707|2.199420|2.102855|2.613247|2.963648|3.634843|3.801269|3.144569|2.680327|34.155164|7.182149|8.128843|10.637398|6.556798|7.580110|12.329340|36.858105| |2.112963|2.367567|2.214470|2.895355|3.296836|4.268505|4.757942|3.760510|3.045723|51.314260|10.122806|12.107913|17.685715|7.793330|6.531422|7.490062|12.478684|36.858105| |1.747590|1.988325|1.985346|2.268881|2.471403|2.803331|2.883587|2.579317|2.314278|22.794201|5.202466|5.227525|6.075488|4.920912|7.602604|12.409112|7.534249|4.897784|36.858105| |1.584604|1.780139|1.795224|1.997395|2.133431|2.372134|2.458530|2.259767|2.050691|19.298631|4.566072|4.452844|4.832440|3.977309|5.543670|7.696486|5.271915|3.873886|14.552149|53.358707| |1.507363|1.690846|1.713224|1.872526|1.996925|2.186975|2.232700|2.064834|1.902923|17.166367|4.052967|4.012956|4.167379|3.356873|4.481622|5.642655|4.341253|3.296909|9.612599|25.996340|0.500000| |1.506239|1.669473|1.684842|1.870656|1.967106|2.186212|2.319278|2.169429|1.954486|18.546526|4.557415|4.253097|4.506378|3.785582|4.847833|6.410330|4.535024|3.633470|7.671356|17.620465|0.251409|36.858105| |1.629641|1.805278|1.815383|2.055858|2.147270|2.423700|2.655100|2.494181|2.194839|21.859664|5.522457|4.851530|5.419833|4.848822|6.031302|7.735955|5.061426|4.310492|6.803928|10.676471|0.159148|12.596965|36.858105| |1.740355|1.936564|1.910629|2.248208|2.401069|2.796100|3.079119|2.783848|2.392611|26.779273|6.555849|5.959920|7.181441|6.136468|7.531903|13.114083|7.863387|6.298395|7.926120|9.732821|0.144876|8.024971|13.166499|53.358707| |1.788213|2.056745|2.051546|2.327846|2.578606|2.886812|2.852572|2.525881|2.312812|21.660981|4.803500|5.072666|5.617632|4.303187|6.228915|7.751359|6.480404|4.377209|14.521655|11.421150|0.216398|5.195583|4.647524|7.161466|53.358707| |1.641594|1.876524|1.891874|2.068424|2.265437|2.455136|2.390279|2.162961|2.031011|17.658815|3.983533|4.203848|4.281738|3.265350|4.322205|4.920036|4.380493|3.287784|7.658542|9.121714|0.216409|4.424161|3.731742|5.310561|17.597835|36.858105| |1.693605|1.949963|1.957622|2.124906|2.359734|2.512610|2.366728|2.129833|2.035967|16.974179|3.766770|4.107435|3.993633|2.944688|3.683021|3.921413|3.797651|2.999103|5.132215|6.022610|0.133862|3.297841|2.952505|4.278864|10.616005|12.626485|36.858105| |1.789819|2.087054|2.129611|2.240073|2.467716|2.554316|2.377334|2.170492|2.118440|16.442532|3.658401|3.928442|3.784178|2.835594|3.485195|3.443289|3.280083|2.723448|4.222730|5.050454|0.109976|2.897374|2.673946|3.804993|7.893714|7.572965|13.716844|36.858105| |1.806264|2.105990|2.137924|2.218171|2.457892|2.486409|2.261895|2.068967|2.054601|15.348543|3.402191|3.723594|3.415268|2.501797|2.927244|2.862058|2.832255|2.442283|3.306778|4.007386|0.085880|2.405183|2.262980|3.239911|5.774342|5.023974|7.907094|13.767948|36.858105| |1.721566|1.980913|1.969969|2.087932|2.343200|2.388922|2.154367|1.949523|1.926626|14.810069|3.265312|3.680197|3.254713|2.318510|2.650216|2.669594|2.747282|2.379858|3.035575|3.685794|0.078713|2.240081|2.106226|3.058420|5.223505|4.452718|6.877968|7.975465|13.761184|36.858105| |1.634682|1.861525|1.830289|1.992178|2.248475|2.352359|2.143886|1.917705|1.862163|15.174149|3.337148|3.821707|3.378969|2.372299|2.727472|2.867197|3.023233|2.552423|3.315359|4.005392|0.085965|2.404668|2.229538|3.281231|5.802256|5.024303|7.906427|6.871934|7.909216|13.758407|36.858105| |1.623117|1.849326|1.826232|2.008863|2.256729|2.410020|2.241810|1.998322|1.910078|16.227763|3.577921|4.043014|3.734695|2.651595|3.162569|3.451708|3.585119|2.877443|4.239981|5.046116|0.110149|2.896308|2.619334|3.871632|7.963572|7.573554|13.712567|7.951735|6.872232|7.975541|13.769934|36.858105| |1.685711|1.920005|1.899477|1.976955|2.207306|2.196469|1.960841|1.792215|1.800278|13.285323|2.946515|3.337877|2.818898|1.992944|2.198833|2.187819|2.273247|2.045585|2.396227|2.961571|0.062585|1.863636|1.778438|2.571515|3.903440|3.169314|4.231252|4.782406|7.058527|10.995670|7.057666|4.782376|448.794386| |17.558115|8.802380|6.881538|5.496831|4.290632|3.349203|3.116668|3.486423|4.591070|17.313346|4.096356|4.076645|2.989512|2.154858|1.979864|1.742039|1.773923|1.901813|1.622981|2.017569|0.039420|1.408708|1.510867|2.178907|2.269725|1.549441|1.606677|1.707327|1.737595|1.657910|1.564747|1.543191|13.186900|0.500000| |17.566421|8.750231|5.467889|6.909553|5.445806|4.179119|3.830881|4.239355|5.582889|20.591947|4.796053|4.918993|3.398800|2.376175|2.126777|1.877642|1.951126|2.143110|1.718558|2.115985|0.041034|1.478678|1.599245|2.344744|2.393446|1.610087|1.663619|1.741558|1.761787|1.699364|1.626086|1.610643|13.409321|0.301350|0.500000| |17.554171|8.732831|6.793477|6.722770|4.676751|3.764846|3.734188|4.545648|6.495716|20.140367|4.884882|4.603528|3.363665|2.446253|2.178112|1.889464|1.914339|2.095903|1.725719|2.141842|0.041442|1.509976|1.646629|2.380809|2.375956|1.596993|1.628354|1.711941|1.709105|1.623214|1.550563|1.553306|12.652577|0.301965|0.301586|0.500000| |8.945910|17.544377|8.947009|9.021214|7.477842|4.850589|4.027461|4.205839|5.609418|20.981711|4.682449|4.918926|3.710749|2.626743|2.438490|2.108299|2.170544|2.306516|1.965172|2.388092|0.046572|1.630584|1.742915|2.552948|2.807099|1.898402|2.005476|2.160449|2.219492|2.102734|1.958329|1.918348|16.608231|0.215968|0.213082|0.173655|0.500000| |5.466002|8.746247|17.552499|6.893979|5.381208|4.133611|3.810258|4.229043|5.596930|20.367021|4.691188|4.515803|3.821141|2.910322|2.775770|2.300006|2.253163|2.334047|2.167456|2.650260|0.051697|1.806431|1.937693|2.771881|3.080139|2.088026|2.173206|2.401879|2.407466|2.180726|2.003834|2.002102|16.707008|0.140663|0.122342|0.139004|0.213046|0.500000| |6.881286|8.802549|17.559288|5.493340|4.272200|3.335536|3.110452|3.483608|4.596740|17.235174|4.057401|3.930714|3.143781|2.354446|2.230103|1.912080|1.893606|1.975519|1.810017|2.248780|0.044129|1.553048|1.656837|2.357014|2.554981|1.756807|1.829138|1.997796|2.029896|1.878566|1.735458|1.716370|14.775915|0.206815|0.140686|0.168883|0.215959|0.301396|0.500000| |6.792556|8.731019|17.552500|6.713830|4.651202|3.744130|3.722326|4.537843|6.509440|20.010338|4.816387|4.389833|3.595187|2.761720|2.538975|2.120323|2.072437|2.198842|1.964422|2.435271|0.047229|1.698607|1.848010|2.627210|2.721833|1.835671|1.870049|2.016670|1.995536|1.836081|1.722063|1.736674|14.085307|0.168882|0.139034|0.200629|0.173639|0.301380|0.302123|0.500000| |5.036968|7.006736|4.985831|8.902825|17.720773|8.971511|5.670068|4.954618|5.653843|27.942542|5.706612|6.749546|4.917526|3.243552|2.970021|2.575328|2.770909|2.993197|2.353027|2.774144|0.053569|1.863347|1.998621|3.026503|3.406710|2.239940|2.386958|2.520412|2.573848|2.480980|2.352280|2.312011|19.145070|0.118556|0.145382|0.117298|0.231837|0.142657|0.117673|0.116400|0.500000| |3.400698|4.083459|3.373050|5.617870|8.917685|17.741544|8.901287|5.631360|4.953759|47.375305|8.050059|12.276817|8.052883|4.489194|3.870191|3.411315|3.988818|4.665323|2.931640|3.333493|0.062823|2.229779|2.440823|3.901545|4.176002|2.593929|2.685588|2.684907|2.625890|2.573040|2.571236|2.626495|18.904666|0.081371|0.099399|0.087887|0.115261|0.097866|0.080872|0.087227|0.216066|0.500000| |3.722196|4.069937|3.712902|5.617462|4.957329|5.635569|8.919653|17.753180|8.900709|47.360668|13.618371|8.374907|6.735032|5.097116|3.739826|3.041129|3.046990|3.680688|2.523868|3.054460|0.056659|2.199726|2.574513|3.872835|3.290643|2.071152|2.006825|2.028588|1.917131|1.806403|1.788842|1.878898|13.299254|0.085941|0.101215|0.112676|0.096436|0.100770|0.085793|0.112302|0.107607|0.124064|0.500000| |6.303755|6.930531|6.332891|8.887628|5.648521|4.952974|5.673392|8.984557|17.732943|27.939438|6.956571|5.815072|4.565110|3.451680|2.909534|2.404287|2.389628|2.677476|2.125814|2.606857|0.049588|1.845639|2.070019|3.012993|2.872423|1.876888|1.872361|1.954429|1.896235|1.773368|1.709791|1.752861|13.379876|0.134134|0.151167|0.213083|0.140112|0.151979|0.134506|0.214514|0.124027|0.107564|0.216200|0.500000| |2.728271|3.206738|3.149927|4.129830|4.266091|5.214418|6.831106|6.359282|4.820060|49.310937|11.530185|8.330065|12.453329|17.630275|8.940187|5.496884|4.925274|5.657921|4.117205|4.682191|0.083157|3.269255|4.028771|6.339348|5.148934|2.997915|2.777019|2.762668|2.473336|2.267300|2.271072|2.489825|15.847283|0.066726|0.073311|0.077216|0.082054|0.094521|0.074390|0.090343|0.099322|0.129439|0.176934|0.116523|0.500000| |2.243790|2.519417|2.460258|3.091509|3.216005|3.904650|4.918338|4.535947|3.537618|45.694668|12.500457|8.212722|12.274824|17.532227|8.762464|6.673332|5.689978|6.949428|4.459714|5.212903|0.089296|3.893074|5.331021|9.022227|5.114407|2.939547|2.617471|2.504397|2.220716|2.073705|2.132536|2.380264|14.459838|0.055789|0.061332|0.063849|0.065489|0.072160|0.060021|0.070657|0.077994|0.103721|0.136284|0.089343|0.303845|0.500000| |2.309704|2.749074|2.744995|3.304094|3.652659|4.272976|4.452779|3.868342|3.390661|32.528318|6.969284|6.755365|9.620350|8.941881|17.571264|8.754327|6.821910|5.739512|7.092989|6.860322|0.119666|4.151808|4.677903|7.533862|9.467651|4.781811|4.253401|4.132805|3.429649|3.041259|3.080412|3.561606|19.903525|0.058279|0.062308|0.063179|0.074354|0.085557|0.066990|0.075211|0.092724|0.119273|0.101117|0.083371|0.220454|0.173828|0.500000| |2.097319|2.424132|2.478929|2.846074|2.966861|3.366638|3.736472|3.511953|3.063020|28.441454|6.819695|5.804944|7.680373|8.881980|17.569082|8.714206|5.493544|4.888937|6.839124|7.702187|0.127897|5.184885|6.626282|9.345807|7.487905|4.118350|3.450165|3.341013|2.790208|2.486815|2.524864|2.912640|16.673724|0.053258|0.056193|0.058676|0.064264|0.075828|0.061079|0.070117|0.074793|0.091016|0.097985|0.078509|0.215065|0.213916|0.303155|0.500000| |2.025599|2.323062|2.208299|2.758691|3.216381|3.946839|3.900474|3.162776|2.749802|32.743213|6.591114|8.015505|9.705209|5.775684|6.816509|8.733451|17.587187|9.020592|6.977327|6.529074|0.115406|3.926413|4.149107|7.699138|9.882547|4.833849|4.419846|3.774786|3.264698|3.191257|3.544246|4.223345|20.789744|0.051412|0.056545|0.054747|0.064565|0.066320|0.055235|0.059593|0.084981|0.124708|0.082718|0.067365|0.129881|0.132326|0.200582|0.139137|0.500000| |1.763395|1.966694|1.881741|2.293449|2.576818|3.086070|3.195215|2.704923|2.343103|28.409556|6.218985|7.117640|7.678154|4.908281|5.512139|8.822947|17.585933|8.864536|6.807318|7.111952|0.121571|4.611562|4.874319|10.032752|7.938324|4.219857|3.621860|3.049191|2.654048|2.628736|2.962925|3.542749|17.557327|0.045047|0.049377|0.048265|0.054163|0.055588|0.047589|0.051534|0.067887|0.094239|0.073521|0.058782|0.108193|0.127580|0.139643|0.123022|0.301317|0.500000| |1.979096|2.178342|2.052678|2.628239|2.899556|3.635169|4.181224|3.489854|2.823651|45.599446|10.522147|10.642488|12.226263|6.938627|5.670039|6.670078|8.763013|17.509804|4.442543|5.081162|0.087770|3.720283|4.606251|9.324046|5.185967|2.957361|2.658048|2.421596|2.176233|2.119978|2.269191|2.550615|14.788589|0.049651|0.055730|0.055147|0.058463|0.059515|0.051156|0.057292|0.073058|0.106583|0.098735|0.070378|0.142203|0.203895|0.131667|0.127018|0.174611|0.214012|0.500000| |2.111078|2.345380|2.153449|2.858861|3.331651|4.363764|4.640371|3.582009|2.943638|49.458052|9.265487|14.556575|12.473353|5.671347|4.917549|5.495380|8.917401|17.689551|4.094215|4.528020|0.081149|3.104349|3.517449|6.502050|5.267023|3.027600|2.856145|2.593213|2.378604|2.367987|2.558995|2.830348|16.569430|0.052804|0.060303|0.057685|0.064172|0.062531|0.053667|0.058843|0.085289|0.139593|0.095589|0.071501|0.127488|0.142629|0.129361|0.107989|0.222204|0.212997|0.303770|0.500000| |1.420525|1.561749|1.563614|1.744364|1.841932|2.050118|2.164310|2.014315|1.815621|17.513821|4.306769|4.108277|4.170112|3.352197|4.059908|5.463548|4.307680|3.482610|6.260461|12.439017|0.208296|17.619644|8.874474|9.573221|6.224641|4.019515|3.073285|2.661976|2.248576|2.136954|2.327687|2.795199|14.389732|0.036973|0.038962|0.039508|0.042523|0.046250|0.040216|0.043683|0.048711|0.058585|0.056740|0.047634|0.080498|0.096448|0.098717|0.115169|0.103105|0.129591|0.100804|0.084500|0.500000| |1.445484|1.597971|1.629910|1.770060|1.840345|2.013250|2.129357|2.025514|1.849233|16.632993|4.127113|3.806759|3.923269|3.321787|4.156640|4.920502|3.662500|3.058574|5.880597|12.530546|0.226668|17.622494|8.805930|7.791523|6.046100|4.069317|3.085602|2.777946|2.313271|2.134345|2.259607|2.686772|14.357620|0.037744|0.039231|0.040340|0.043307|0.048569|0.041949|0.045795|0.048569|0.056534|0.057189|0.048980|0.082508|0.094963|0.101903|0.128976|0.091388|0.101934|0.086653|0.073957|0.300070|0.500000| |1.545028|1.690270|1.695830|1.914577|1.982849|2.228040|2.458803|2.338422|2.058297|20.413925|5.314649|4.576149|4.820122|4.184572|4.701867|5.658066|4.246477|3.860521|4.983404|7.732687|0.126642|8.947173|17.622390|12.545984|5.051848|3.114987|2.544493|2.324625|2.007173|1.887597|1.995724|2.306829|13.003766|0.039858|0.042227|0.043592|0.045199|0.049783|0.043180|0.048205|0.051254|0.062098|0.067968|0.054408|0.098871|0.133385|0.105071|0.140848|0.097674|0.117493|0.119615|0.089669|0.221329|0.204539|0.500000| |1.707969|1.903357|1.939504|2.166337|2.232024|2.493855|2.754603|2.640230|2.333641|22.011321|5.616524|4.758373|5.410361|5.189282|6.618551|6.938167|4.527414|4.001778|6.179038|9.234951|0.145659|8.869601|17.501849|12.136030|6.075578|3.632226|2.915994|2.720350|2.297265|2.102235|2.183850|2.538063|14.286325|0.043951|0.046167|0.048144|0.050692|0.057822|0.048970|0.055238|0.057339|0.068577|0.076103|0.061523|0.124020|0.158380|0.140274|0.234985|0.107551|0.115350|0.115743|0.090999|0.174292|0.219502|0.302192|0.500000| |1.794785|1.982511|1.940094|2.325299|2.470597|2.915311|3.309249|2.994571|2.517062|30.243824|7.703407|6.599332|7.984179|6.805761|6.917255|9.335478|7.216782|7.070642|5.774455|7.091808|0.113861|5.859712|9.326012|25.999941|5.847936|3.300004|2.776165|2.518468|2.191142|2.081483|2.215461|2.555121|14.291222|0.045594|0.049531|0.050420|0.052933|0.056912|0.048651|0.054792|0.062803|0.082312|0.086623|0.064657|0.139194|0.229977|0.141004|0.172779|0.144341|0.184393|0.244590|0.144164|0.150653|0.127895|0.231357|0.206487|0.500000| |1.931788|2.246865|2.214434|2.574604|2.921088|3.316747|3.201559|2.763106|2.523381|24.048228|5.151069|5.663807|6.368804|4.641863|6.520550|7.424863|7.202549|4.857111|9.610288|8.213278|0.154128|4.270219|4.099320|6.600433|26.050149|9.043257|7.690135|6.012548|4.559559|4.167637|4.603841|6.112983|24.831987|0.049778|0.052942|0.052004|0.062984|0.068161|0.055917|0.059393|0.079047|0.099881|0.072176|0.063015|0.113849|0.108050|0.224051|0.148812|0.262952|0.167778|0.111719|0.121067|0.106905|0.102717|0.093319|0.110925|0.115395|0.500000| |1.616783|1.847885|1.892384|2.019412|2.172932|2.322656|2.285299|2.109083|1.995919|16.666325|3.825968|3.906416|3.985144|3.149066|4.190271|4.517676|3.810695|2.981110|6.825517|9.158038|0.231323|4.536285|3.767984|5.064838|12.398808|17.577062|8.891317|7.177847|4.740021|3.993071|4.212092|5.661179|23.618707|0.042534|0.043723|0.043886|0.051639|0.058251|0.048934|0.051301|0.059408|0.066897|0.056461|0.051732|0.081747|0.079635|0.127149|0.117327|0.112610|0.100761|0.075875|0.075514|0.110563|0.122121|0.087227|0.105262|0.087695|0.188206|0.500000| |1.516714|1.711911|1.716195|1.879661|2.052202|2.229076|2.183365|1.979971|1.853866|16.409859|3.739236|3.966474|3.915917|2.943372|3.753577|4.490291|4.122601|3.105096|6.800566|9.087041|0.232578|4.517748|3.639739|5.146097|12.398437|17.575310|8.893405|5.678597|4.219457|3.993554|4.731189|7.146662|23.620636|0.039862|0.041530|0.041082|0.048085|0.052029|0.044506|0.046412|0.056422|0.065673|0.053071|0.047815|0.074432|0.075390|0.110135|0.099606|0.122386|0.116833|0.079115|0.080385|0.119787|0.114896|0.086002|0.095193|0.088624|0.188603|0.300705|0.500000| |1.826098|2.139704|2.225615|2.290195|2.477000|2.544157|2.403307|2.229955|2.185864|16.468142|3.708544|3.857608|3.795744|2.940843|3.677068|3.497486|3.186695|2.676529|4.291010|5.228317|0.113656|3.013709|2.794896|3.883835|7.657422|7.001629|8.889729|17.704653|8.961593|5.669924|4.950561|5.644207|31.698161|0.048396|0.048896|0.048795|0.060925|0.070425|0.057853|0.058934|0.069420|0.072766|0.058164|0.056401|0.080677|0.072204|0.121646|0.101222|0.099228|0.081197|0.066700|0.069623|0.075276|0.081666|0.067083|0.080825|0.071288|0.155836|0.215598|0.143841|0.500000| |1.856552|2.174945|2.240294|2.248265|2.459028|2.428887|2.203523|2.045405|2.065474|14.660450|3.272491|3.533236|3.202023|2.367709|2.722479|2.594583|2.544252|2.249862|2.924282|3.593455|0.076438|2.206941|2.102564|2.979288|4.894986|4.093346|5.630264|8.903510|17.754271|8.923899|5.638951|4.954535|53.915122|0.049990|0.049924|0.048621|0.064036|0.070660|0.059622|0.057686|0.072037|0.070152|0.052521|0.053287|0.066185|0.058585|0.088236|0.073124|0.080163|0.065889|0.056098|0.060821|0.057124|0.059594|0.052182|0.059972|0.056533|0.106582|0.112335|0.097136|0.215734|0.500000| |1.561949|1.759518|1.714348|1.876448|2.120294|2.219345|2.020137|1.805512|1.752879|14.394992|3.172033|3.685269|3.149704|2.181867|2.452525|2.601448|2.800645|2.407724|2.934867|3.590962|0.076545|2.206263|2.055701|3.036745|4.925269|4.093693|5.629881|4.954387|5.638936|8.922482|17.754453|8.904376|53.903805|0.041625|0.043454|0.041111|0.051555|0.051595|0.045357|0.044818|0.061906|0.067813|0.046872|0.044776|0.057930|0.055000|0.075566|0.062976|0.090162|0.077612|0.059879|0.068168|0.060176|0.057528|0.051724|0.055529|0.057501|0.107889|0.096935|0.112059|0.107534|0.124205|0.500000| 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