Version2.2 2021-02-09T03:10:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 16-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1c(cc2c3c1CCCN3C(=O)CC2)NC(=O)C(=O)NCC4CC[NH+](CC4)C5CCCC5 C49509376 RHF 6-31G(d) (6D,7F) c1c(cc2c3c1CCCN3C(=O)CC2)NC(=O)C(=O)NCC4CC[NH+](CC4)C5CCCC5 C01[X(C25H35N4O3)] 195 C1 550 O=C(C(=O)Nc1cc2CCCN3c2c(c1)CCC3=O)NCC1CC[NH+](CC1)C1CCCC1 O=C(C(=O)Nc1cc2CCCN3c2c(c1)CCC3=O)NCC1CC[NH+](CC1)C1CCCC1 O=C1CCc2cc(NC(=O)C(=O)NCC3CC[NH+](CC3)C4CCCC4)cc5CCCN1c25 InChIKey=ONZPEJYBRPZDBQ-UHFFFAOYSA-O InChI=1S/C25H34N4O3/c30-22-8-7-19-15-20(14-18-4-3-11-29(22)23(18)19)27-25(32)24(31)26-16-17-9-12-28(13-10-17)21-5-1-2-6-21/h14-15,17,21H,1-13,16H2,(H,26,31)(H,27,32)/p+1 InChI=1/C25H34N4O3/c30-22-8-7-19-15-20(14-18-4-3-11-29(22)23(18)19)27-25(32)24(31)26-16-17-9-12-28(13-10-17)21-5-1-2-6-21/h14-15,17,21H,1-13,16H2,(H,26,31)(H,27,32)/p+1/fC25H35N4O3/h26-28H/q+1 c1c(cc2c3c1CCCN3C(=O)CC2)NC(=O)C(=O)NCC4CC[NH+](CC4)C5CCCC5 C01[X(C25H35N4O3)] 195 C01 550 O=C(C(=O)Nc1cc2CCCN3c2c(c1)CCC3=O)NCC1CC[NH+](CC1)C1CCCC1 O=[C]([NH]C[C@@H]1CC[N@H](CC1)C1CCCC1)[C]([NH][C]1[CH][C]2[C]3[C]([CH]1)CCC(=O)N3CCC2)=O O=C1CC[C]2[CH][C]([CH][C]3CCCN1[C]23)NC(=O)C(=O)NCC4CC[NH](CC4)C5CCCC5 InChIKey=IMZCMLOYPLHTPI-UHFFFAOYSA-N InChI=1S/C25H35N4O3/c30-22-8-7-19-15-20(14-18-4-3-11-29(22)23(18)19)27-25(32)24(31)26-16-17-9-12-28(13-10-17)21-5-1-2-6-21/h14-15,17,21,28H,1-13,16H2,(H,26,31)(H,27,32) InChI=1/C25H35N4O3/c30-22-8-7-19-15-20(14-18-4-3-11-29(22)23(18)19)27-25(32)24(31)26-16-17-9-12-28(13-10-17)21-5-1-2-6-21/h14-15,17,21,28H,1-13,16H2,(H,26,31)(H,27,32)/f/h26-27H 3061.6370970146 -1409.3742567 1-A 31784.4942 118 432 550 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.64173 -20.62860 -20.56859 -15.84514 -15.69356 -15.68702 -15.64366 -11.45665 -11.44864 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3218.2811 3229.0376 3230.4440 3243.1062 3243.2737 3252.6138 3262.7899 3264.9016 3267.1253 3267.5561 3272.5275 3279.1128 3284.0323 3294.4987 3296.0578 3299.1582 3301.4194 3307.4578 3307.8759 3341.0454 3352.4062 3356.7870 3366.0323 3443.8317 3681.7312 3842.7823 3852.3730 4.1688 6.1926 3.1252 3.5480 5.2399 6.5788 2.9952 6.8397 3.5789 4.1694 2.8134 3.8906 4.1565 3.5063 3.4409 2.7835 5.0469 3.9971 3.2761 1.8888 2.9971 3.0428 3.9069 2.8596 3.4468 3.0520 3.9414 3.9313 2.4324 2.6163 3.9753 3.3520 2.1536 4.9474 3.5311 3.6721 3.7822 3.1126 3.7554 3.7865 2.9691 3.6724 6.2397 4.2018 3.2902 2.0940 4.4523 3.1538 2.5078 1.2414 2.7520 1.2862 3.3075 3.3223 3.8138 2.7464 1.3708 2.5689 1.5394 10.6192 2.0438 2.3732 2.4786 2.2062 2.0205 2.7745 2.1140 2.5220 2.6141 1.5098 2.5492 2.0411 1.4965 2.5552 2.2120 1.9443 2.3415 1.7272 3.1803 1.9009 2.5348 1.3919 2.3672 1.9634 2.8689 2.6386 2.5802 2.2067 3.1110 2.4421 2.6049 1.7714 2.0185 1.9310 4.0418 1.9904 1.5984 1.6838 1.2933 1.3648 1.6564 1.3323 1.4635 1.6559 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9.3768 9.4333 0.0889 0.7486 0.1693 0.7399 1.2647 0.3548 0.9179 10.3541 0.4891 0.9553 0.9388 0.6950 1.6085 3.2181 6.7011 1.7625 1.5876 8.0357 0.2671 0.2500 1.6402 3.4597 2.6557 1.0002 3.7511 2.5324 29.4518 5.4898 1.3835 2.3000 23.7922 8.2271 1.0062 29.4032 6.5125 8.3446 2.3430 15.8481 11.2110 1.8326 14.3913 1.9782 18.0711 44.3685 1.9557 6.9297 8.0881 16.6250 16.1534 65.0896 2.0406 64.2242 20.1357 26.9739 13.2216 0.2158 5.7306 20.6344 0.5291 1.1377 7.2369 10.0551 2.9113 9.4966 7.1464 4.3466 4.6532 1.7574 27.6964 23.6274 11.2915 5.2914 20.9579 16.0637 25.6664 11.8511 0.7435 11.8470 14.0965 1.7328 1.3161 1.0844 1.3516 0.4150 12.4846 15.5461 18.3211 6.9529 15.0195 2.4923 4.3411 0.1638 11.0910 5.5986 13.4433 10.4044 16.2648 29.9233 25.3191 39.2464 9.5145 2.7862 39.5661 148.9738 118.6158 15.1900 12.0887 3.8655 22.1295 48.6576 33.6239 4.4346 70.9116 1.8497 12.0964 2.3799 68.6227 19.2019 2.3883 10.0277 7.6538 12.0247 6.3715 44.3962 5.7265 6.6398 3.4980 7.7748 0.7344 249.0809 0.5485 10.9104 33.3728 12.7048 16.6147 29.7266 112.8807 139.5972 14.3084 0.7893 29.6883 1.8513 7.9919 2.1717 21.6732 16.5047 2.3001 5.2679 5.1488 268.1125 14.8558 89.6767 2.7698 904.5989 14.1531 69.6866 105.9422 607.0524 528.7745 78.3505 7.3992 20.9940 16.9369 14.8002 20.0491 39.8924 29.7167 18.7351 31.7451 12.8167 22.3319 33.4446 39.4528 26.9206 7.9534 60.3077 24.1999 0.9948 2.9144 7.0845 14.2809 17.8494 9.2487 7.7270 15.7628 16.0086 41.1698 18.5304 6.8145 5.0163 3.3043 0.8451 26.0374 64.9205 122.9889 2.7262 1.3844 0.0881 0.2915 0.8325 0.6187 0.0618 0.3395 0.3248 0.1955 0.0852 0.2826 0.1590 0.5362 0.4732 1.0239 0.4939 0.3082 0.4886 0.0972 0.5828 0.8344 2.2390 1.1007 2.8502 1.1151 1.1243 1.0957 0.7689 1.1436 1.5697 1.9670 3.3374 0.5819 0.9151 1.1746 3.4281 0.8011 1.6128 2.4755 4.4390 2.5171 7.1601 1.0324 4.1405 1.7553 26.6720 2.2423 3.4848 1.7939 0.4939 1.5565 1.4784 0.6117 6.4656 10.6925 0.7180 2.0700 2.6769 3.3179 1.8230 0.7415 1.4302 5.4579 5.5642 5.1506 2.3022 10.3625 0.6625 2.6042 1.2455 3.1784 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1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 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 5136.1035 53603.5770 55411.2476 1.00000 -0.00123 0.00262 0.00119 0.99987 0.01579 -0.00264 -0.01578 0.99987 1 0.01686 0.00162 0.00156 0.35138 0.03367 0.03257 13.52 17.01 30.89 54.90 58.92 67.77 83.15 103.76 118.46 125.47 152.51 161.11 168.69 232.30 241.82 261.51 268.03 291.44 326.48 353.66 365.93 373.37 390.27 402.25 452.59 473.53 500.98 552.86 585.19 604.38 610.87 654.99 660.70 674.27 705.00 724.58 735.17 770.96 787.70 804.34 811.13 824.63 852.92 877.17 885.45 923.64 936.40 976.03 986.04 989.58 1011.33 1060.34 1065.83 1112.56 1197.74 1204.60 1222.22 1244.23 1251.93 1296.08 1300.47 1323.32 1339.74 1350.48 1351.01 1375.73 1389.95 1392.15 1415.85 1432.17 1459.09 1470.43 1472.88 1475.91 1484.97 1504.43 1519.17 1538.16 1561.91 1565.08 1586.46 1591.41 1598.48 1622.04 1640.74 1646.73 1652.70 1661.14 1686.75 1719.64 1733.21 1743.74 1744.54 1752.66 1789.88 1815.56 1841.79 1849.84 1860.64 1891.84 1900.42 1919.16 1924.18 1939.79 1943.16 1964.85 1987.25 1990.10 1993.64 2019.80 2022.97 2047.24 2054.65 2058.42 2072.56 2078.46 2087.29 2088.76 2107.14 2125.34 2143.06 2145.68 2149.13 2154.85 2154.92 2162.17 2179.63 2189.03 2194.74 2208.76 2217.89 2231.36 2246.42 2255.81 2264.51 2266.83 2290.23 2313.73 2325.01 2331.89 2339.53 2345.39 2350.13 2350.94 2358.81 2358.89 2360.35 2363.66 2368.70 2380.60 2387.54 2394.30 2404.58 2477.77 2551.29 2599.61 2622.81 2791.04 2820.35 2830.00 4587.50 4597.92 4598.74 4600.47 4608.85 4615.31 4619.49 4624.24 4630.39 4645.86 4647.89 4666.11 4666.35 4679.79 4694.43 4697.47 4700.66 4701.28 4708.44 4717.91 4724.99 4740.05 4742.29 4746.75 4750.01 4758.69 4759.30 4807.02 4823.36 4829.67 4842.97 4954.91 5297.19 5528.91 5542.71 0.633218 0.660428 0.661372 0.570805 -1408.741039 -1408.713829 -1408.712884 -1408.803452 3.037666D-04 MUNgauss RevisionA2.1 retrievium 09-Feb-2021 DUDE c1c(cc2c3c1CCCN3C(=O)CC2)NC(=O)C(=O)NCC4CC[NH+](CC4)C5CCCC5 C49509376 RHF 6-31G(d) (6D,10F) C1 439.270916 |X|Y|Z| 168.982343 33.264032 46.068736 63.739332 29 6 7 25 4 |36.858105| |13.778056|36.858105| |7.965296|13.722666|36.858105| |6.919949|7.948471|13.787349|36.858105| |7.965181|6.844914|7.894964|13.647029|36.858105| |13.735417|7.874560|6.821780|7.893219|13.669930|36.858105| |7.588513|5.016548|4.421661|4.990102|7.494555|12.564170|36.858105| |5.016286|3.867469|3.735130|4.493478|6.681582|7.559117|12.486375|36.858105| |4.527570|3.765395|3.916674|5.104630|7.729119|6.733684|7.642432|12.522128|36.858105| |5.161081|4.540210|5.149869|7.838815|13.483374|7.823588|6.557083|7.802464|13.051085|53.358707| |3.952700|3.761757|4.479602|6.612232|7.794172|5.173836|4.499209|5.351524|7.806153|18.894143|36.858105| |3.231197|3.055007|3.496767|4.677508|5.378030|4.083159|3.858017|4.824614|6.970766|11.510760|15.905745|73.516695| |3.837261|3.967821|5.149740|7.695984|6.801879|4.586088|3.733845|4.021276|5.009370|10.599914|12.590091|14.265336|36.858105| |4.471944|5.023159|7.551253|12.635954|7.660574|5.044866|3.789597|3.737365|4.502475|9.249040|7.580662|9.494805|12.499068|36.858105| |7.974240|13.454710|7.714332|5.124403|4.538808|5.172709|3.892315|3.091621|2.966535|4.622005|2.947861|4.432319|3.127259|3.816157|53.358707| |5.192808|7.680134|6.303251|4.330786|3.681182|3.900005|3.083522|2.579254|2.532785|3.947457|2.625990|4.007468|2.866393|3.515831|19.473808|36.858105| |4.399523|6.393731|6.440934|4.433308|3.568732|3.555797|2.811622|2.430911|2.451573|3.895530|2.669249|4.068099|3.015786|3.799604|11.349569|15.849014|73.516695| |4.034745|5.049463|4.206148|3.233442|2.908925|3.145965|2.651116|2.238642|2.164366|3.257821|2.183545|3.414915|2.333341|2.738514|10.876566|12.368558|14.277170|36.858105| |4.037328|4.667141|3.728426|2.976342|2.789027|3.121227|2.709328|2.257247|2.137120|3.148151|2.085075|3.285225|2.179146|2.500300|9.647609|7.918372|9.805835|15.833161|73.516695| |3.208653|3.922846|3.550666|2.823727|2.515955|2.636495|2.259353|1.961522|1.923455|2.892845|1.982132|3.133484|2.141406|2.498352|7.299659|7.946556|12.782740|14.242204|15.002095|53.358707| |2.662684|3.083940|2.810316|2.334860|2.133203|2.244412|1.983265|1.740174|1.699115|2.509651|1.727908|2.771000|1.842959|2.102459|5.387305|5.043187|8.292437|7.803682|11.984179|17.954889|36.858105| |2.381273|2.701683|2.490571|2.111933|1.946545|2.041484|1.827663|1.624269|1.575465|2.318583|1.610623|2.600716|1.719897|1.923335|4.551643|4.055509|6.816124|5.619063|9.367378|10.389237|12.417702|36.858105| |2.038481|2.253337|2.092892|1.817848|1.698336|1.780060|1.623624|1.455794|1.412840|2.054287|1.431774|2.335440|1.514562|1.674233|3.668340|3.118620|5.289445|4.042314|7.125857|6.783151|7.574138|12.436122|36.858105| |1.843787|2.010970|1.883394|1.660560|1.562005|1.631963|1.503121|1.361862|1.317177|1.908296|1.338444|2.196311|1.414539|1.541732|3.195365|2.647682|4.532941|3.255742|5.807451|5.154669|4.904468|7.506676|12.506281|36.858105| |1.915120|2.065043|1.909851|1.687450|1.602237|1.690157|1.566150|1.415506|1.354114|1.954965|1.365420|2.239905|1.436231|1.553079|3.282296|2.660026|4.460049|3.264662|6.036310|4.885462|4.356946|6.412560|7.613353|12.658846|53.358707| |1.940373|2.071294|1.893585|1.675267|1.603383|1.706648|1.591957|1.431270|1.362652|1.955079|1.357135|2.227603|1.416819|1.531742|3.304136|2.639229|4.350372|3.280000|6.278986|4.779786|4.304580|5.877240|7.141537|9.311093|25.684156|0.500000| |2.181256|2.382722|2.188995|1.908022|1.799239|1.901684|1.740533|1.563922|1.490648|2.171748|1.513651|2.464376|1.603406|1.740449|3.849622|3.156783|5.244047|3.919624|7.178089|5.800807|4.877158|7.512808|6.543099|7.716404|17.217764|0.259080|36.858105| |2.533282|2.827135|2.544882|2.162557|2.021260|2.153411|1.940114|1.714493|1.636543|2.398861|1.655387|2.669796|1.756445|1.941225|4.791744|4.078055|6.546063|5.619531|10.346150|8.526210|7.469741|12.443956|7.638202|6.542453|10.364932|0.198798|12.506162|36.858105| |1.704100|1.815500|1.697574|1.523624|1.455755|1.527763|1.429991|1.307463|1.250191|1.796585|1.262886|2.086209|1.325344|1.415902|2.814072|2.238350|3.801289|2.627496|4.828882|3.847250|3.254082|4.328136|4.942635|7.611856|17.153266|0.258724|7.559723|4.929290|36.858105| |1.537073|1.623793|1.523101|1.379005|1.324528|1.388900|1.310995|1.203341|1.153550|1.646442|1.158211|1.923476|1.208411|1.287769|2.492001|1.965379|3.347384|2.285677|4.217171|3.336407|2.845348|3.566400|4.334086|6.293428|10.212830|0.197937|4.896412|3.784407|12.334892|36.858105| |1.434991|1.498840|1.408106|1.287813|1.246609|1.308087|1.246229|1.151046|1.099177|1.560355|1.099425|1.834449|1.141684|1.205320|2.268862|1.760609|2.997224|2.005183|3.719064|2.862338|2.361764|2.843306|3.242423|4.214905|6.900140|0.139423|3.899477|3.091570|7.736250|12.290038|36.858105| |1.503540|1.568662|1.472510|1.347135|1.305257|1.370666|1.305016|1.206891|1.147315|1.632186|1.150913|1.918134|1.197270|1.258399|2.368877|1.829606|3.109501|2.067047|3.834181|2.917313|2.351877|2.850682|3.077698|3.922432|6.886678|0.134288|4.270019|3.239855|8.001391|7.734693|12.385751|36.858105| |1.707653|1.794265|1.668063|1.508150|1.455612|1.536999|1.451763|1.329962|1.260300|1.801882|1.264071|2.092588|1.319004|1.395911|2.754060|2.141944|3.602331|2.470861|4.622064|3.486190|2.831321|3.564894|3.769575|4.902064|10.158975|0.192670|6.326656|4.321971|12.433297|7.812696|7.856202|12.443612|36.858105| |17.680680|8.932704|5.655129|4.973432|5.663594|8.966055|7.113303|4.602647|3.948239|5.691772|3.307298|4.994966|3.174466|3.569269|10.034315|4.868972|7.058764|4.099366|7.748313|4.357754|2.711855|2.431341|2.094435|1.893443|2.703482|0.056507|2.256061|2.629369|1.761941|1.591692|1.488553|1.559067|1.777142|0.500000| |5.659689|8.902753|17.805678|8.962190|5.637727|4.932194|3.542072|3.104567|3.279670|5.693612|3.898147|5.586256|4.706763|6.991883|9.520184|6.875041|14.747445|4.424490|6.633378|5.289223|3.004590|2.646364|2.199692|1.969033|2.685209|0.053850|2.267467|2.647293|1.746818|1.562514|1.434882|1.497481|1.698017|0.124249|0.500000| |7.084087|4.718539|3.988425|4.236760|5.711259|8.900976|17.553287|8.813169|5.546166|6.795953|3.752457|5.861501|3.257386|3.289937|5.261282|3.050701|4.858452|2.687088|4.988385|3.093639|2.009557|1.870039|1.662039|1.546254|2.216330|0.046159|1.815818|2.016858|1.488691|1.361155|1.298818|1.366423|1.524631|0.211536|0.090822|0.500000| |6.583739|4.567187|4.002964|4.390160|6.080382|8.937979|17.512852|8.874597|6.695217|7.490285|3.947849|6.188489|3.308848|3.440054|5.020188|2.955123|4.775386|2.583537|4.729058|3.006213|1.956464|1.786287|1.599778|1.473351|2.078396|0.043324|1.680392|1.879472|1.391526|1.284717|1.219443|1.268187|1.406860|0.182739|0.091125|0.303892|0.500000| |4.663183|3.716157|3.632370|4.345402|6.145048|6.591018|8.822503|17.542075|8.908694|9.672899|5.376846|8.690085|4.139430|3.685987|4.085925|2.528774|4.259382|2.198737|3.932657|2.633079|1.716178|1.620045|1.448689|1.364914|1.941217|0.039917|1.584073|1.723018|1.323566|1.213040|1.164331|1.228272|1.353464|0.118928|0.084792|0.217662|0.174156|0.500000| |4.107235|3.253781|3.112795|3.606617|4.901333|5.525360|8.833908|17.559870|8.869666|7.671161|4.312899|7.368533|3.338788|3.116806|3.690275|2.298313|3.846714|2.040520|3.692247|2.452321|1.619941|1.517466|1.373509|1.289330|1.825267|0.037793|1.469498|1.600911|1.244396|1.152167|1.106728|1.157756|1.269090|0.110090|0.073842|0.206020|0.220542|0.302394|0.500000| |3.641510|3.157444|3.331478|4.248482|5.716343|4.952660|5.529565|8.797179|17.707292|12.606753|7.749094|15.054717|4.812199|4.052301|3.496410|2.245984|3.909130|1.944493|3.407953|2.384291|1.560847|1.459076|1.316607|1.235290|1.727285|0.035399|1.391170|1.512921|1.179511|1.091384|1.043973|1.090106|1.190742|0.090352|0.080119|0.123526|0.138931|0.213044|0.212106|0.500000| |4.361243|3.650765|3.754013|4.732669|6.689824|6.155416|6.978310|8.845184|17.526538|12.426996|6.192067|10.117451|4.355640|4.194702|3.970244|2.499033|4.291585|2.148240|3.777420|2.602335|1.695494|1.558279|1.403791|1.301828|1.812217|0.037327|1.456381|1.606067|1.225915|1.136550|1.080460|1.121506|1.230430|0.107340|0.088152|0.140526|0.199309|0.173926|0.212106|0.302195|0.500000| |3.826157|3.961283|5.012566|6.892323|6.212777|4.474618|3.667580|3.937670|4.540388|8.990069|9.012390|11.687585|17.515633|8.841257|4.297952|2.895878|5.392546|2.365574|3.935854|2.950315|1.863676|1.759881|1.542949|1.450497|2.018523|0.040517|1.668251|1.816642|1.372603|1.244332|1.178571|1.243975|1.373199|0.088662|0.127950|0.091681|0.088142|0.118332|0.090649|0.121789|0.107038|0.500000| |3.166354|3.291488|4.141128|5.547542|4.979538|3.664491|3.126753|3.399620|4.207916|7.858004|9.061161|13.593091|17.625090|8.741389|3.683171|2.542823|4.809538|2.111055|3.501702|2.682362|1.714681|1.607624|1.426926|1.338061|1.840278|0.036966|1.499106|1.629576|1.254292|1.148480|1.086757|1.137157|1.245390|0.074936|0.110432|0.076996|0.078963|0.096807|0.081349|0.117906|0.105064|0.302135|0.500000| |4.030930|4.441057|6.204354|8.926941|6.473687|4.528684|3.543904|3.506634|4.368030|8.401967|6.790159|9.159546|8.866525|17.504986|4.751975|3.257121|6.257191|2.585320|4.207585|3.242248|2.025327|1.836697|1.614130|1.480449|2.015134|0.040671|1.641638|1.832247|1.349813|1.236691|1.156359|1.199563|1.324937|0.091537|0.164594|0.084601|0.092854|0.093102|0.083130|0.110121|0.119367|0.173603|0.213682|0.500000| |3.991697|4.732716|7.186981|8.882812|5.657161|4.198523|3.234865|3.147860|3.609200|6.766276|5.517023|7.619481|8.823903|17.583910|5.166698|3.670222|7.393010|2.835468|4.509421|3.587724|2.198772|2.018467|1.744662|1.606998|2.192171|0.043813|1.813316|2.021450|1.466793|1.328370|1.238686|1.294551|1.438246|0.090719|0.217556|0.080691|0.082221|0.087684|0.074593|0.092266|0.094242|0.214006|0.207381|0.303182|0.500000| |7.570006|9.227636|5.716506|4.270353|4.057700|4.882059|3.909809|3.043878|2.836899|4.260992|2.697016|4.124126|2.783675|3.268314|25.988806|9.687740|10.909163|8.007644|15.378965|7.013102|4.004235|3.401239|2.769407|2.409432|3.418490|0.071334|2.937553|3.690169|2.141126|1.898731|1.731277|1.806769|2.112360|0.232789|0.142853|0.111819|0.104491|0.081815|0.075339|0.068368|0.077864|0.078309|0.067548|0.084207|0.089083|0.500000| |3.127056|3.909674|3.720286|2.940463|2.556675|2.613436|2.214992|1.944811|1.934639|2.945514|2.041813|3.219433|2.241740|2.650635|6.944454|7.851903|15.422312|9.579660|10.914027|25.994997|8.939696|6.214389|4.348176|3.436381|4.360858|0.085585|3.753652|5.056853|2.601516|2.271970|1.964014|2.003817|2.357216|0.084320|0.117986|0.061146|0.059946|0.053339|0.049415|0.049092|0.053376|0.062830|0.057583|0.070308|0.079147|0.128435|0.500000| |2.430467|2.805913|2.624936|2.208809|2.009047|2.085533|1.848819|1.638151|1.616818|2.387006|1.656066|2.667836|1.770423|2.023565|4.725436|4.367605|7.608207|5.919105|9.045885|12.605833|17.577734|8.867972|7.035781|4.593746|5.239997|0.104620|4.072379|5.481967|2.983592|2.686678|2.229567|2.187006|2.566875|0.068003|0.078773|0.051565|0.050942|0.044736|0.042488|0.041441|0.045038|0.049380|0.046139|0.054737|0.059016|0.095623|0.226030|0.500000| |2.703964|3.059434|2.720030|2.277760|2.117383|2.265003|2.024931|1.760894|1.706298|2.491990|1.699055|2.730828|1.787418|2.029372|5.369640|4.744435|7.413114|7.496635|13.594973|12.613432|17.605150|8.828357|6.899075|4.572365|5.746140|0.122537|4.545704|6.809238|3.162483|2.826028|2.361611|2.331000|2.800061|0.078138|0.078885|0.057310|0.056000|0.047961|0.045779|0.043407|0.047543|0.050028|0.046073|0.054561|0.058118|0.115689|0.181725|0.302624|0.500000| |2.297069|2.633714|2.489619|2.115655|1.927401|1.990915|1.771860|1.590206|1.553793|2.304479|1.617307|2.611995|1.746606|1.953452|4.347640|3.931372|6.954242|5.031059|7.928456|9.513676|8.905760|17.493859|8.896027|6.819346|7.719615|0.135938|6.830176|8.902311|4.141363|3.379843|2.725835|2.765642|3.399030|0.064099|0.074721|0.050079|0.047829|0.044259|0.041143|0.040136|0.042530|0.049810|0.045561|0.051659|0.057645|0.087711|0.178904|0.214619|0.174142|0.500000| |1.924804|2.134218|2.011239|1.755429|1.632198|1.695177|1.544879|1.392904|1.363140|1.984045|1.389802|2.272329|1.473842|1.633518|3.428707|2.930107|5.093086|3.674937|6.290083|6.299377|6.847541|8.770944|17.561747|8.998446|7.587509|0.145129|4.904929|5.523753|4.128457|3.825634|2.923875|2.736743|3.207169|0.054464|0.059167|0.043599|0.042433|0.038398|0.036540|0.035374|0.037753|0.041495|0.038781|0.044042|0.047433|0.070915|0.117629|0.209198|0.168263|0.214964|0.500000| |2.049609|2.236519|2.049680|1.786316|1.685850|1.784681|1.640983|1.463446|1.413576|2.039640|1.412069|2.306376|1.480026|1.633640|3.649437|3.035269|5.029872|3.984143|7.383197|6.334027|7.007548|8.812224|17.503417|8.877217|9.297922|0.208488|5.693930|6.807622|4.584876|4.238765|3.220306|3.004650|3.651780|0.059207|0.059118|0.046820|0.045207|0.040277|0.038514|0.036518|0.039169|0.041742|0.038653|0.043911|0.046863|0.078013|0.110139|0.177166|0.210132|0.173806|0.303933|0.500000| |1.792918|1.967915|1.868683|1.651295|1.543075|1.596972|1.464877|1.335983|1.298319|1.890481|1.335361|2.192664|1.421263|1.546843|3.096301|2.584967|4.521302|3.092027|5.360697|4.958154|4.494579|6.756859|8.784072|17.605632|12.446634|0.182091|7.084195|5.786852|7.037683|5.618301|3.961227|3.801477|4.615911|0.050639|0.054720|0.041709|0.039716|0.037323|0.035055|0.033924|0.035542|0.040590|0.037478|0.041175|0.045104|0.063905|0.094925|0.120007|0.111384|0.200437|0.214414|0.173193|0.500000| |1.692737|1.827263|1.716227|1.528350|1.446479|1.510663|1.403224|1.276767|1.235936|1.779748|1.249720|2.060906|1.313956|1.425417|2.866194|2.339389|4.012323|2.822176|5.084898|4.374758|4.079082|5.479374|8.815171|17.669750|12.342440|0.222956|5.620629|4.902971|7.155266|7.379193|4.611455|3.967228|4.637219|0.048382|0.049602|0.040068|0.038379|0.035477|0.033746|0.032292|0.034026|0.037310|0.034650|0.038215|0.041104|0.060185|0.081993|0.110065|0.109751|0.139832|0.214670|0.215562|0.301686|0.500000| |2.096107|2.309254|2.163594|1.892157|1.768838|1.845161|1.680446|1.523852|1.462368|2.143825|1.508002|2.457445|1.611861|1.746282|3.674888|3.047516|5.218881|3.637125|6.371324|5.516146|4.468156|6.747653|5.779720|7.071254|12.431320|0.182159|17.601432|8.762623|6.998858|4.561791|3.698466|4.116303|5.741995|0.059369|0.062953|0.048415|0.044870|0.043049|0.039676|0.038063|0.039565|0.046753|0.042046|0.045636|0.050995|0.076186|0.103433|0.107657|0.110778|0.200323|0.129546|0.132597|0.215102|0.144696|0.500000| |2.199942|2.364221|2.154482|1.893005|1.805225|1.922879|1.775749|1.596051|1.506671|2.183943|1.517871|2.475373|1.598091|1.718192|3.777594|3.001512|4.922812|3.629548|6.854412|5.076702|4.055630|5.487589|4.907054|5.623998|12.350774|0.223985|17.677290|8.835352|7.081564|4.651284|3.982216|4.643936|7.383871|0.063760|0.061179|0.051966|0.047415|0.045134|0.041741|0.039087|0.040717|0.046431|0.041392|0.044825|0.049418|0.081068|0.091828|0.095017|0.109062|0.140043|0.107996|0.127812|0.144843|0.126604|0.301511|0.500000| |2.607671|2.853122|2.510176|2.141333|2.030780|2.199247|2.002162|1.752133|1.658493|2.407190|1.644807|2.655656|1.723861|1.901505|4.874705|3.993022|6.178261|5.651521|11.745727|7.820919|6.922697|8.811679|6.793539|5.684701|9.277629|0.208332|8.858584|17.533809|4.566820|3.686049|3.059485|3.163271|4.184362|0.076814|0.071232|0.058245|0.054256|0.048659|0.045656|0.042439|0.045397|0.049318|0.044285|0.050064|0.054338|0.108361|0.125801|0.141478|0.206668|0.173895|0.138865|0.198030|0.132587|0.127477|0.172846|0.215866|0.500000| |2.841297|3.229857|2.887143|2.413758|2.236811|2.384199|2.116120|1.860881|1.771925|2.623863|1.807362|2.892152|1.932220|2.144764|5.581881|4.825278|7.629294|6.569001|11.587585|9.348094|6.721907|8.791370|5.529575|4.908093|7.594225|0.145479|9.010930|17.604107|4.116767|3.213474|2.738954|2.939483|3.829526|0.081320|0.083667|0.061211|0.056321|0.052224|0.047845|0.045324|0.047980|0.055936|0.049431|0.055578|0.062329|0.118040|0.155324|0.138725|0.165459|0.215532|0.123256|0.139155|0.129770|0.107998|0.214265|0.215108|0.305204|0.500000| |1.664020|1.785006|1.688394|1.517364|1.440646|1.498904|1.396409|1.283782|1.233862|1.781720|1.260303|2.082882|1.331089|1.420896|2.749182|2.205145|3.804816|2.547318|4.573793|3.782875|3.148894|4.207712|4.652328|7.135874|12.494106|0.182723|6.945092|4.597199|17.596173|8.743226|6.341049|6.883386|8.836675|0.047354|0.048610|0.040207|0.037627|0.036191|0.033861|0.032416|0.033540|0.038371|0.035105|0.037575|0.041134|0.057380|0.072411|0.081380|0.082692|0.118519|0.112179|0.114098|0.218678|0.180061|0.211731|0.173264|0.112851|0.110516|0.500000| |1.466036|1.555725|1.471876|1.334987|1.276778|1.330075|1.252420|1.153943|1.112779|1.591321|1.124164|1.869556|1.176438|1.255104|2.377209|1.887780|3.252764|2.178083|3.955893|3.226517|2.759451|3.434658|4.261553|6.254777|8.489744|0.157129|4.310838|3.459024|8.705528|17.606193|8.657293|5.931306|5.714951|0.041906|0.042172|0.035929|0.034131|0.032278|0.030682|0.029300|0.030497|0.033579|0.031174|0.033576|0.036076|0.049894|0.061814|0.074035|0.075088|0.092689|0.109444|0.112526|0.165487|0.219906|0.117074|0.109973|0.091756|0.082468|0.222790|0.500000| |1.567951|1.651567|1.538471|1.390219|1.339065|1.411410|1.335101|1.219540|1.167544|1.661244|1.163241|1.930467|1.208767|1.292295|2.548507|2.004622|3.384415|2.360936|4.415499|3.432828|2.982803|3.674224|4.644472|6.380001|10.000349|0.225576|4.711931|3.864008|8.756631|17.530067|8.742223|5.938914|6.386509|0.045358|0.043700|0.038526|0.036516|0.034006|0.032491|0.030611|0.032067|0.034449|0.031857|0.034578|0.036890|0.054349|0.064204|0.078139|0.084311|0.093392|0.112637|0.133982|0.144906|0.221202|0.116218|0.123769|0.108749|0.089523|0.175533|0.303538|0.500000| |1.334771|1.394045|1.319310|1.212616|1.172958|1.224381|1.167849|1.084526|1.039637|1.475195|1.043736|1.746833|1.084586|1.142177|2.094131|1.625437|2.790221|1.829969|3.361430|2.622337|2.149075|2.550146|2.899902|3.701971|5.644988|0.111783|3.315685|2.701377|5.882201|8.682641|17.612677|8.709704|5.706620|0.038285|0.037417|0.033694|0.031764|0.030477|0.029005|0.027513|0.028401|0.031069|0.028787|0.030503|0.032640|0.044124|0.050513|0.057137|0.059317|0.069010|0.074638|0.079241|0.099898|0.113853|0.090045|0.092586|0.073578|0.067439|0.150736|0.224214|0.182804|0.500000| |1.418554|1.470928|1.374943|1.260590|1.227187|1.293857|1.240089|1.143698|1.088840|1.537904|1.079976|1.804367|1.115424|1.176271|2.223569|1.710670|2.892517|1.949930|3.659054|2.752210|2.269217|2.671077|3.042948|3.772500|6.124014|0.131945|3.536808|2.915074|6.005723|8.771393|17.589799|8.787204|6.488764|0.041102|0.038713|0.035986|0.033818|0.032069|0.030650|0.028715|0.029788|0.031921|0.029465|0.031409|0.033425|0.047440|0.052201|0.059427|0.064087|0.069997|0.076281|0.086561|0.095869|0.115209|0.090830|0.101793|0.082419|0.071903|0.135223|0.181361|0.230652|0.304031|0.500000| |1.453591|1.522333|1.441650|1.322509|1.276696|1.331540|1.264446|1.175716|1.122046|1.601126|1.135156|1.894408|1.185829|1.243391|2.284757|1.771623|3.042405|1.977770|3.616828|2.810125|2.242538|2.716649|2.894757|3.687550|6.153227|0.114851|3.979181|3.031372|6.937459|6.420161|8.768125|17.550960|8.850820|0.041578|0.040895|0.036655|0.034044|0.033321|0.031286|0.029694|0.030410|0.034291|0.031381|0.032891|0.035666|0.047987|0.054243|0.058408|0.060868|0.075034|0.072718|0.076808|0.103923|0.102563|0.112446|0.117552|0.080278|0.077713|0.196089|0.154395|0.135394|0.221642|0.175130|0.500000| |1.467297|1.516892|1.420974|1.307671|1.275641|1.343579|1.288732|1.194698|1.130874|1.600988|1.127730|1.884464|1.167356|1.220287|2.274133|1.735585|2.938405|1.942869|3.630227|2.701568|2.149177|2.540491|2.695624|3.278686|5.621206|0.113954|3.670904|2.904458|5.686104|5.636120|8.668399|17.608259|8.728130|0.042412|0.039896|0.037627|0.034780|0.033829|0.031942|0.029895|0.030674|0.033724|0.030791|0.032303|0.034727|0.048362|0.051578|0.055468|0.059710|0.068153|0.067049|0.074261|0.087735|0.091866|0.097355|0.113807|0.080283|0.074571|0.139086|0.126452|0.133862|0.192363|0.221143|0.303226|0.500000| |1.771549|1.846171|1.696610|1.532608|1.489185|1.587107|1.507070|1.372316|1.292719|1.839187|1.281809|2.120387|1.329106|1.407599|2.847178|2.190218|3.629937|2.552434|4.891043|3.535631|2.879489|3.545744|3.743895|4.602510|9.568736|0.211443|6.042941|4.417138|8.804338|6.773277|6.835972|8.814003|17.498105|0.051737|0.047615|0.044199|0.040683|0.038699|0.036460|0.033833|0.035118|0.038365|0.034740|0.037148|0.040051|0.061466|0.065516|0.071713|0.081116|0.090826|0.087417|0.105102|0.114587|0.122038|0.140682|0.205937|0.126130|0.107835|0.173966|0.137473|0.178009|0.138139|0.182412|0.173941|0.216375|0.500000| 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