Version2.1 2021-01-15T22:58:56Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 26-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH+]2CCC(CC2)NC(=O)OC(C)(C)C C59404271 RHF 6-31G(d) (6D,7F) CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH+]2CCC(CC2)NC(=O)OC(C)(C)C C01[X(C24H39N4O4)] 207 C1 558 CCc1ccccc1NC(=O)CN(C(=O)[C@H]([NH+]1CCC(CC1)NC(=O)OC(C)(C)C)C)C CCc1ccccc1NC(=O)CN(C(=O)[C@H]([NH+]1CCC(CC1)NC(=O)OC(C)(C)C)C)C CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH+]2CCC(CC2)NC(=O)OC(C)(C)C InChIKey=AIRNKNVADKUITK-QGZVFWFLSA-O InChI=1S/C24H38N4O4/c1-7-18-10-8-9-11-20(18)26-21(29)16-27(6)22(30)17(2)28-14-12-19(13-15-28)25-23(31)32-24(3,4)5/h8-11,17,19H,7,12-16H2,1-6H3,(H,25,31)(H,26,29)/p+1/t17-/m1/s1 InChI=1/C24H38N4O4/c1-7-18-10-8-9-11-20(18)26-21(29)16-27(6)22(30)17(2)28-14-12-19(13-15-28)25-23(31)32-24(3,4)5/h8-11,17,19H,7,12-16H2,1-6H3,(H,25,31)(H,26,29)/p+1/t17-/m1/s1/fC24H39N4O4/h25-26,28H/q+1 CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH+]2CCC(CC2)NC(=O)OC(C)(C)C C01[X(C24H39N4O4)] 207 C01 558 CCc1ccccc1NC(=O)CN(C(=O)[C@H]([NH+]1CCC(CC1)NC(=O)OC(C)(C)C)C)C CC[C]1[CH][CH][CH][CH][C]1NC(=O)C[N]([C](=O)[C@H]([NH]1CC[C@H](CC1)NC(=O)OC(C)(C)C)C)C CC[C]1[CH][CH][CH][CH][C]1NC(=O)CN(C)C(=O)[C@@H](C)[NH]2CC[C@H](CC2)NC(=O)OC(C)(C)C InChIKey=LVYQFKWFPJDBNR-QGZVFWFLSA-N InChI=1S/C24H39N4O4/c1-7-18-10-8-9-11-20(18)26-21(29)16-27(6)22(30)17(2)28-14-12-19(13-15-28)25-23(31)32-24(3,4)5/h8-11,17,19,28H,7,12-16H2,1-6H3,(H,25,31)(H,26,29)/t17-/m1/s1 InChI=1/C24H39N4O4/c1-7-18-10-8-9-11-20(18)26-21(29)16-27(6)22(30)17(2)28-14-12-19(13-15-28)25-23(31)32-24(3,4)5/h8-11,17,19,28H,7,12-16H2,1-6H3,(H,25,31)(H,26,29)/t17-/m1/s1/f/h25-26H 3302.1004791248 -1448.6910114 1-A 24488.9586 121 437 558 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18.3018 7.4406 3.0334 1.1546 7.0034 2.5659 3.0719 18.1412 28.1675 8.0767 16.1641 1.5924 91.5753 19.6618 107.7317 1.6012 4.8599 86.2602 284.9474 69.8390 10.1303 89.2973 105.0207 30.9418 72.0871 74.5163 43.0413 18.3473 83.4359 49.3248 59.7211 64.3675 134.7461 64.7888 83.0591 69.2134 52.2052 23.5397 9.1897 63.2420 72.0417 57.3513 105.7016 59.3034 52.7262 83.9346 130.9723 134.6257 16.0149 53.5517 34.5725 0.7351 0.7497 0.7500 0.7166 0.6931 0.6805 0.7383 0.7018 0.7130 0.7280 0.6408 0.6547 0.6348 0.7267 0.7291 0.7396 0.5395 0.1125 0.7493 0.6931 0.2192 0.3565 0.7451 0.6917 0.2062 0.3055 0.1930 0.5442 0.4468 0.5366 0.7469 0.5156 0.7188 0.5240 0.6969 0.7173 0.4745 0.3056 0.2925 0.4067 0.7260 0.5193 0.4383 0.6416 0.6162 0.7498 0.2361 0.2437 0.5912 0.1653 0.4229 0.3216 0.4154 0.7065 0.7182 0.0855 0.6646 0.3334 0.5587 0.0753 0.0985 0.3036 0.6208 0.0112 0.3925 0.6957 0.1955 0.1762 0.0502 0.1494 0.1115 0.2764 0.7469 0.5146 0.6980 0.3275 0.7496 0.7088 0.7492 0.6300 0.1991 0.2295 0.0623 0.7499 0.7490 0.1711 0.7253 0.2763 0.7453 0.1761 0.6929 0.4761 0.0592 0.7496 0.6368 0.2416 0.7462 0.4499 0.6885 0.6823 0.5562 0.5145 0.7455 0.5759 0.3646 0.2366 0.6426 0.6517 0.3034 0.7439 0.4721 0.1964 0.1356 0.7303 0.7474 0.7496 0.5738 0.3607 0.6640 0.7486 0.7476 0.7499 0.5263 0.7140 0.5695 0.3149 0.3353 0.5433 0.5952 0.6497 0.7492 0.6718 0.7386 0.5900 0.6968 0.7499 0.5149 0.6880 0.7156 0.5977 0.7340 0.7500 0.7296 0.6056 0.7497 0.7433 0.7499 0.7500 0.7293 0.6669 0.7163 0.7120 0.7425 0.7498 0.6920 0.7414 0.7488 0.6387 0.5896 0.6415 0.7500 0.6452 0.7167 0.5113 0.7460 0.6824 0.2531 0.1989 0.0314 0.2019 0.1316 0.7445 0.7148 0.1414 0.0154 0.0063 0.7164 0.0092 0.5989 0.6142 0.4033 0.0862 0.2143 0.7500 0.0947 0.6584 0.7236 0.7495 0.7060 0.7061 0.2857 0.7376 0.4939 0.3585 0.7466 0.4491 0.6869 0.5416 0.4705 0.3504 0.5261 0.6890 0.2379 0.1241 0.1103 0.1346 0.1614 0.8473 0.8569 0.8571 0.8349 0.8187 0.8099 0.8494 0.8248 0.8325 0.8426 0.7811 0.7913 0.7766 0.8417 0.8433 0.8503 0.7009 0.2022 0.8567 0.8187 0.3596 0.5256 0.8540 0.8178 0.3419 0.4681 0.3236 0.7049 0.6176 0.6985 0.8551 0.6804 0.8364 0.6877 0.8214 0.8354 0.6436 0.4681 0.4526 0.5782 0.8413 0.6836 0.6095 0.7817 0.7626 0.8570 0.3820 0.3920 0.7431 0.2837 0.5944 0.4867 0.5870 0.8280 0.8360 0.1575 0.7985 0.5001 0.7168 0.1401 0.1794 0.4658 0.7661 0.0221 0.5637 0.8205 0.3270 0.2997 0.0955 0.2600 0.2007 0.4331 0.8551 0.6795 0.8221 0.4934 0.8568 0.8296 0.8566 0.7730 0.3321 0.3734 0.1173 0.8571 0.8565 0.2922 0.8408 0.4330 0.8541 0.2994 0.8186 0.6451 0.1118 0.8569 0.7781 0.3892 0.8547 0.6206 0.8155 0.8112 0.7148 0.6794 0.8542 0.7308 0.5343 0.3827 0.7824 0.7891 0.4656 0.8531 0.6414 0.3283 0.2388 0.8441 0.8555 0.8569 0.7292 0.5302 0.7981 0.8562 0.8555 0.8571 0.6897 0.8331 0.7257 0.4789 0.5022 0.7041 0.7463 0.7877 0.8566 0.8037 0.8497 0.7422 0.8213 0.8571 0.6798 0.8152 0.8342 0.7482 0.8466 0.8571 0.8437 0.7544 0.8569 0.8527 0.8571 0.8571 0.8435 0.8002 0.8347 0.8317 0.8522 0.8570 0.8180 0.8515 0.8563 0.7795 0.7418 0.7816 0.8571 0.7844 0.8350 0.6767 0.8545 0.8112 0.4040 0.3318 0.0610 0.3360 0.2326 0.8535 0.8337 0.2478 0.0303 0.0125 0.8347 0.0182 0.7491 0.7610 0.5747 0.1587 0.3529 0.8571 0.1731 0.7940 0.8397 0.8568 0.8277 0.8277 0.4444 0.8490 0.6612 0.5278 0.8549 0.6199 0.8144 0.7026 0.6399 0.5190 0.6895 0.8159 0.3843 0.2209 0.1986 0.2372 0.2780 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 65 66 67 68 69 70 71 6 6 6 6 6 6 6 6 7 6 8 6 7 6 6 8 6 1 6 7 1 6 6 6 6 6 7 6 8 8 6 6 6 6 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 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 14.00307 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 15.99491 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 1.00783 1.00783 1.00783 10554.6554 34541.7174 41612.1342 0.99998 0.00632 -0.00273 -0.00629 0.99992 0.01070 0.00280 -0.01068 0.99994 1 0.00821 0.00251 0.00208 0.17099 0.05225 0.04337 13.20 19.78 23.52 33.39 39.91 58.67 77.93 88.45 98.06 106.91 118.58 136.28 155.99 163.63 175.26 197.16 221.27 234.66 247.07 275.08 297.33 322.39 331.67 350.02 357.98 369.80 389.98 400.62 407.50 418.91 435.96 462.08 476.43 494.63 512.58 515.22 525.38 532.38 559.93 590.98 611.75 647.93 659.85 670.65 689.06 704.15 714.59 722.16 734.60 752.64 758.63 768.70 847.62 864.16 895.29 928.70 956.06 988.67 1003.55 1123.55 1145.60 1165.55 1183.20 1199.06 1221.73 1225.27 1233.40 1250.23 1255.22 1268.71 1275.52 1323.74 1353.85 1399.89 1404.75 1419.58 1456.94 1458.05 1464.26 1496.36 1504.20 1512.96 1523.01 1530.89 1545.50 1559.65 1603.37 1616.49 1618.90 1627.66 1634.78 1641.55 1663.67 1664.17 1674.09 1698.11 1702.33 1720.77 1742.47 1752.04 1763.30 1792.76 1795.38 1800.35 1829.95 1860.10 1868.44 1879.95 1897.01 1913.63 1915.14 1926.21 1983.52 1993.01 1997.84 2009.98 2024.91 2027.15 2046.85 2050.86 2080.82 2081.87 2112.55 2125.48 2141.92 2155.20 2177.14 2195.93 2207.37 2223.97 2245.33 2247.36 2248.59 2252.90 2263.97 2271.40 2278.20 2283.03 2295.99 2318.12 2328.04 2329.46 2332.57 2343.88 2346.34 2351.08 2351.96 2353.93 2359.20 2359.70 2365.06 2365.15 2374.23 2375.34 2381.86 2383.03 2385.54 2389.72 2394.79 2402.83 2411.27 2441.31 2471.15 2569.74 2609.57 2739.06 2787.93 2805.19 4602.63 4615.66 4622.77 4628.96 4630.61 4637.96 4643.63 4654.00 4660.38 4660.72 4674.07 4697.26 4701.28 4705.72 4707.31 4716.11 4719.14 4719.59 4728.05 4737.01 4742.64 4757.49 4759.09 4772.10 4778.81 4787.89 4788.42 4793.06 4794.50 4804.71 4826.78 4830.61 4835.57 4856.28 4878.11 4898.66 5220.85 5558.10 5592.35 0.670489 0.702796 0.703741 0.602115 -1448.020522 -1447.988215 -1447.987271 -1448.088897 3.408553D-04 MUNgauss RevisionA2.0 retrievium 15-Jan-2021 DUDE CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[NH+]2CCC(CC2)NC(=O)OC(C)(C)C C59404271 RHF 6-31G(d) (6D,10F) C1 447.297131 |X|Y|Z| 135.021809 71.215049 34.444551 69.188207 18 6 7 15 3 |36.858105| |12.410433|36.858105| |7.473794|12.568803|36.858105| |5.628095|7.570600|13.686219|36.858105| |4.133891|5.011552|7.865004|13.780792|36.858105| |3.722839|4.413104|6.800192|7.954806|13.750578|36.858105| |4.132552|4.979656|7.868298|6.913125|7.965668|13.790735|36.858105| |5.622828|7.466007|13.676107|7.996505|6.893935|7.938905|13.734218|36.858105| |5.396153|6.532304|7.805914|5.152742|4.543139|5.148608|7.838754|13.320118|53.358707| |4.037593|4.809651|5.371869|4.020084|3.739013|4.319187|6.176785|7.732237|19.311615|36.858105| |3.398440|4.125605|4.787257|3.840973|3.739617|4.445645|6.173541|6.642119|11.471862|15.831828|73.516695| |3.623254|3.976603|4.015299|3.149769|2.917949|3.243757|4.218687|5.015582|10.718113|12.412947|14.204894|36.858105| |2.871598|3.162189|3.220316|2.663175|2.533609|2.821641|3.514138|3.880049|7.090153|7.779615|12.686245|13.148892|53.358707| |2.491363|2.687595|2.823627|2.414557|2.370834|2.697048|3.313096|3.429175|5.887693|5.926085|10.584307|7.698243|17.770459|36.858105| |2.732522|3.093310|3.090802|2.588294|2.443632|2.664812|3.221607|3.573322|6.140751|6.361900|11.594271|8.097357|19.341697|7.718742|36.858105| |2.982700|3.458128|3.321056|2.744439|2.523474|2.680246|3.204409|3.695926|6.282142|6.105446|10.652583|7.168346|11.544188|5.318874|15.785858|73.516695| |2.255119|2.527649|2.560641|2.231453|2.154284|2.347815|2.739689|2.901842|4.647699|4.451462|8.756362|5.039726|10.403512|6.509071|12.389028|14.469933|36.858105| |2.143716|2.390626|2.481543|2.188230|2.152978|2.386704|2.783613|2.858525|4.512172|4.324212|8.846148|4.707367|9.595622|7.343759|8.686223|10.608289|17.668959|0.500000| |2.038513|2.222014|2.202307|1.938633|1.863397|2.001126|2.293661|2.437116|3.871972|3.498796|6.463633|4.147202|7.924239|5.265069|7.624786|10.807068|12.443747|0.244735|36.858105| |2.210939|2.537681|2.568808|2.272168|2.190516|2.352457|2.684129|2.837861|4.350164|4.008985|8.187597|4.116018|7.184200|4.517988|7.929506|13.138947|12.655491|0.254041|7.496455|53.358707| |2.368427|2.744002|2.709918|2.370107|2.241308|2.368758|2.704113|2.939351|4.536236|4.122503|8.106136|4.266585|7.084638|4.164440|8.158735|16.739656|9.492535|0.185424|6.733363|25.592909|0.500000| |2.291482|2.694076|2.834251|2.534100|2.488496|2.715700|3.094231|3.182228|4.709556|4.363359|9.807397|4.034218|6.596110|4.336026|6.374768|10.677219|7.685695|0.208258|4.943212|17.155252|0.258756|36.858105| |2.198287|2.615310|2.732161|2.511762|2.461768|2.610784|2.858431|2.937991|4.143489|3.583619|7.700489|3.244642|4.914049|3.244351|4.487580|8.316773|4.975164|0.131730|3.779515|10.364511|0.198739|12.519045|36.858105| 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|1.588968|1.806979|1.846969|1.778706|1.762568|1.811827|1.882374|1.902714|2.615939|2.113745|4.188091|2.008488|2.965788|2.063106|2.512838|4.607125|2.821761|0.076556|2.551881|4.884356|0.096570|3.868305|5.148327|7.820538|6.024027|4.187726|19.052795|36.858105| |1.494102|1.680236|1.719205|1.650207|1.642218|1.702017|1.776654|1.787181|2.479494|2.015301|3.982544|1.942185|2.908202|2.055482|2.451130|4.403705|2.826754|0.077719|2.606728|4.801042|0.092343|3.687900|4.527511|6.927337|5.988480|4.340116|11.558986|15.895685|73.516695| |1.535717|1.743683|1.776701|1.733250|1.716580|1.741362|1.783661|1.803183|2.446897|1.941446|3.802771|1.834204|2.656111|1.843983|2.215752|4.104894|2.413014|0.065329|2.204267|4.040181|0.081794|3.197777|4.155098|5.364051|4.421092|3.308014|11.806957|14.516220|15.053499|73.516695| |1.376798|1.542284|1.569118|1.541487|1.533153|1.551701|1.578493|1.588244|2.152139|1.692626|3.279030|1.612344|2.326584|1.633630|1.910086|3.507823|2.074488|0.056588|1.935887|3.355192|0.067665|2.603189|3.177185|3.918412|3.470439|2.752553|7.208465|7.800783|11.870215|23.188962|36.858105| |1.311034|1.455057|1.464640|1.427637|1.410182|1.427488|1.463056|1.483123|2.032651|1.601663|3.070464|1.551229|2.251459|1.579744|1.853339|3.404181|2.028687|0.054905|1.939853|3.253836|0.065903|2.429697|2.871323|3.574753|3.436550|2.738289|6.143000|6.319982|11.083254|13.848850|12.487490|36.858105| |1.363975|1.527593|1.549246|1.538148|1.526637|1.525654|1.535014|1.547492|2.074793|1.609046|3.091746|1.523452|2.164362|1.512241|1.761243|3.264388|1.869415|0.050798|1.744250|2.980139|0.061027|2.321282|2.813853|3.249256|2.899108|2.365880|5.807454|5.285727|7.923868|14.546688|12.497755|7.589583|36.858105| |1.309584|1.460309|1.503309|1.484272|1.494891|1.526203|1.545986|1.534755|2.072973|1.632084|3.179549|1.550079|2.243659|1.600944|1.819629|3.286493|1.988780|0.055253|1.850308|3.162320|0.062540|2.491756|2.962279|3.600188|3.128494|2.584186|6.129732|6.315095|11.078751|13.851172|12.487904|7.511209|7.588946|36.858105| |17.524243|8.702243|6.720515|4.963116|3.907894|3.723925|4.318741|5.889910|8.391013|4.439364|6.384162|4.075443|4.246319|2.715877|2.873197|5.463921|2.341008|0.062127|2.119890|3.053895|0.066227|2.311093|2.169603|1.862967|1.829077|1.913740|2.381145|1.555094|2.619060|2.652565|1.339946|1.279776|1.318147|1.281114|0.500000| |17.571740|8.770292|6.783556|5.926817|4.354465|3.763051|3.956905|5.024679|6.127007|3.459498|5.353555|3.086970|3.429265|2.243849|2.399015|4.582637|2.027106|0.054103|1.840333|2.718750|0.058839|2.087099|2.021953|1.750312|1.697123|1.737096|2.283468|1.499884|2.508652|2.593854|1.316324|1.250200|1.311124|1.257265|0.302911|0.500000| |17.558604|8.776142|5.467991|4.420932|3.402799|3.094588|3.391404|4.396476|6.053190|3.569151|5.405285|3.366806|3.707074|2.347013|2.631244|5.178146|2.182878|0.057057|2.006266|2.920338|0.064434|2.182761|2.106954|1.829006|1.807958|1.857202|2.376652|1.554153|2.599132|2.677157|1.353774|1.297536|1.343846|1.280533|0.301683|0.301318|0.500000| |8.823146|17.555261|8.879955|5.698859|4.217506|3.957732|4.666446|6.987131|9.900122|5.621018|8.296725|4.714243|4.988341|2.987127|3.645713|7.528861|2.879815|0.074218|2.511174|3.931128|0.088476|3.021566|2.895777|2.386032|2.320504|2.386813|3.045103|1.929766|3.188382|3.280292|1.619160|1.534358|1.591732|1.524182|0.208039|0.172840|0.212965|0.500000| |8.884277|17.568326|8.961506|7.269073|4.782322|4.000181|4.217017|5.648664|6.648094|3.934834|6.325344|3.338861|3.783955|2.389773|2.791332|5.593461|2.342824|0.061436|2.076126|3.272704|0.072540|2.556469|2.557335|2.152949|2.059525|2.061579|2.835090|1.819718|2.984529|3.157494|1.571930|1.478889|1.572958|1.479391|0.172718|0.211973|0.213659|0.305068|0.500000| |5.546656|7.078482|8.938564|17.707848|8.949245|5.658026|4.972061|5.672998|5.678511|3.385492|5.755152|2.776643|3.245119|2.159648|2.347709|4.471228|2.046733|0.055394|1.803961|2.859334|0.061259|2.311473|2.331222|1.978757|1.841081|1.833549|2.631628|1.713304|2.816979|2.998707|1.507908|1.398661|1.519138|1.444762|0.128138|0.171956|0.125878|0.145699|0.221027|0.500000| |3.531691|4.097797|5.618800|8.932389|17.723984|8.906131|5.655931|4.963419|4.922090|3.097166|5.567978|2.507372|3.028632|2.105655|2.163976|3.965451|1.944242|0.054108|1.700124|2.708206|0.056368|2.251096|2.261364|1.931301|1.758192|1.755459|2.563366|1.687709|2.794492|2.950150|1.493848|1.369724|1.499252|1.461931|0.092096|0.105719|0.083383|0.097390|0.113659|0.216194|0.500000| |3.094320|3.533488|4.914895|5.649445|8.897518|17.727644|8.937779|5.648656|5.686181|3.720593|6.992692|2.898468|3.536995|2.553525|2.454499|4.322541|2.215254|0.063416|1.897781|3.019573|0.061251|2.571832|2.477140|2.089501|1.887443|1.930733|2.689755|1.766658|2.966374|3.021585|1.524551|1.398155|1.497285|1.515055|0.086667|0.087458|0.073424|0.090162|0.090991|0.124272|0.214066|0.500000| |3.532727|4.070129|5.626253|4.975557|5.655888|8.920745|17.751352|8.942414|9.854057|6.531493|12.196602|4.479962|5.196509|3.757675|3.395322|5.780221|2.912069|0.084113|2.415431|3.797057|0.076535|3.233135|2.892018|2.368973|2.180774|2.319526|2.924661|1.888656|3.200890|3.150306|1.571064|1.459668|1.513559|1.550336|0.105198|0.093235|0.083050|0.110763|0.097058|0.107894|0.124178|0.215095|0.500000| |6.332239|6.771009|6.958625|4.694805|4.032424|4.353490|5.987677|9.157543|26.043717|9.488019|10.867592|7.653472|6.644587|4.040434|4.173353|7.681286|3.162774|0.084315|2.731010|3.977709|0.085420|3.050422|2.710059|2.250358|2.202007|2.376387|2.779645|1.785504|3.020727|2.982328|1.486677|1.415130|1.437509|1.428452|0.224130|0.139727|0.144093|0.209844|0.136385|0.110095|0.091522|0.100446|0.154900|0.500000| |3.529654|3.664604|3.735414|2.983762|2.799625|3.134247|4.050912|4.664730|9.604546|8.821757|10.979019|17.604180|12.522950|7.398417|5.866735|9.201638|4.178203|0.112759|3.644411|4.657435|0.096655|3.365175|2.772105|2.353264|2.381336|2.729384|2.804689|1.815221|3.141908|2.966266|1.483583|1.431012|1.406149|1.435720|0.114298|0.084770|0.090727|0.115363|0.085327|0.073230|0.067224|0.078671|0.121910|0.208761|0.500000| |3.947690|4.294272|4.025430|3.122115|2.804914|3.005661|3.782172|4.684851|9.606306|8.845068|10.994835|17.641292|12.471279|5.685863|7.448053|13.998919|4.664885|0.115227|4.039153|5.397160|0.119705|3.750701|3.132561|2.615681|2.695320|3.062696|3.118411|1.984268|3.392321|3.241892|1.603184|1.551178|1.522699|1.526023|0.122467|0.090779|0.105020|0.148557|0.099993|0.077987|0.067340|0.074023|0.106420|0.210622|0.302315|0.500000| |2.512656|2.635092|2.759281|2.360674|2.317657|2.635048|3.234940|3.348058|5.787714|5.434189|8.996475|7.310351|12.528698|17.639730|5.762128|7.854046|4.847442|0.145165|4.306551|4.933558|0.095499|3.500683|2.761163|2.418123|2.470231|2.959386|2.815905|1.848571|3.272823|2.973265|1.496488|1.450681|1.396005|1.468968|0.077520|0.063076|0.065679|0.080314|0.064606|0.058732|0.057253|0.069414|0.102184|0.114578|0.235966|0.152253|0.500000| |2.210622|2.370687|2.458459|2.142315|2.108130|2.364042|2.814210|2.892963|4.770724|4.531573|8.296857|5.644791|12.319951|17.643069|7.009223|8.664757|7.184810|0.239285|6.341609|6.357904|0.116019|4.238541|3.169875|2.830673|2.969594|3.791204|3.188867|2.090561|3.756414|3.294247|1.649030|1.608616|1.513463|1.619886|0.066129|0.055735|0.058616|0.072853|0.059576|0.053944|0.052723|0.062850|0.087151|0.092312|0.150687|0.129086|0.305087|0.500000| |2.463683|2.698766|2.931293|2.535039|2.542635|2.966183|3.675074|3.644605|6.049370|6.147604|12.241060|6.585918|12.267049|17.583985|6.516652|8.490371|5.895535|0.199894|4.511913|6.056434|0.111272|4.653876|3.438498|2.913608|2.877468|3.486599|3.300214|2.134491|3.772960|3.386779|1.682883|1.609931|1.556362|1.663034|0.074062|0.062286|0.063602|0.082090|0.066825|0.062285|0.062568|0.078917|0.120210|0.110522|0.173643|0.135992|0.300617|0.298796|0.500000| |2.049536|2.195961|2.176002|1.907481|1.834883|1.979604|2.283918|2.426831|3.914781|3.525395|6.315221|4.395358|8.602033|6.017835|7.105422|9.723052|8.897282|0.208980|17.593545|7.509785|0.142661|4.128195|3.219219|3.033128|3.504717|4.777557|3.401171|2.238362|4.057572|3.494596|1.747631|1.748088|1.590444|1.682518|0.059984|0.051375|0.056003|0.068631|0.056454|0.049193|0.046428|0.052191|0.067330|0.077833|0.110973|0.117454|0.140200|0.215933|0.133539|0.500000| |2.072235|2.256514|2.189920|1.923567|1.826191|1.932969|2.201454|2.377596|3.767137|3.327425|6.009115|3.946152|7.009711|4.367501|6.908831|11.363949|8.777000|0.172902|17.581482|9.365963|0.196930|4.513046|3.667229|3.530185|4.420982|6.181632|3.934418|2.550899|4.583008|3.950183|1.949417|1.971596|1.766217|1.835568|0.059415|0.051711|0.057359|0.071473|0.058981|0.050151|0.046357|0.050583|0.063343|0.074729|0.095673|0.112469|0.103681|0.136038|0.105212|0.302909|0.500000| |1.835417|1.993164|1.990412|1.780463|1.728033|1.854159|2.093817|2.188022|3.393698|2.998927|5.627228|3.412447|6.166618|4.426105|5.506310|8.243325|8.731500|0.213813|17.619029|8.964126|0.156419|4.565732|3.608957|3.637197|4.498884|6.909278|3.950154|2.624795|4.885241|3.988128|1.986640|2.009564|1.768220|1.912787|0.052761|0.046524|0.050167|0.061666|0.052213|0.046226|0.044177|0.049349|0.061351|0.066357|0.085561|0.091655|0.103262|0.150309|0.110452|0.303067|0.299189|0.500000| |2.596936|3.112630|3.335038|2.907494|2.841039|3.151328|3.718456|3.868974|5.838348|5.728739|14.165225|4.944812|7.886176|4.945161|7.457445|12.418774|7.304101|0.197873|4.636533|12.280740|0.223056|17.660703|8.813705|5.507060|4.908658|5.607052|5.651576|3.278086|5.500890|5.022172|2.339072|2.177963|2.136302|2.243910|0.073165|0.065074|0.067776|0.098138|0.080490|0.072287|0.069984|0.081494|0.108447|0.101580|0.110433|0.123979|0.109576|0.125963|0.151138|0.112952|0.118234|0.114029|0.500000| |2.098647|2.422417|2.585718|2.349141|2.355517|2.608520|2.945332|2.931497|4.294370|3.932112|8.837316|3.669743|6.089683|4.370842|5.414920|8.491376|7.009679|0.225345|4.718911|12.416646|0.182024|17.600686|8.810897|6.866596|5.835591|7.102881|6.309763|3.762849|6.628612|5.481959|2.558319|2.383849|2.255076|2.518164|0.059232|0.053683|0.055346|0.073998|0.063753|0.059445|0.059687|0.070042|0.087482|0.077629|0.087991|0.092625|0.097687|0.122053|0.135489|0.111822|0.114408|0.127488|0.300827|0.500000| |2.372273|2.871157|2.929945|2.668479|2.551995|2.647398|2.897810|3.073051|4.330001|3.678373|7.643916|3.324138|4.872041|3.094058|4.505725|9.032048|4.638242|0.116890|3.632456|9.327881|0.209884|8.877340|17.513054|8.810540|6.825216|5.684264|9.688036|4.724800|7.171544|7.167374|3.082686|2.811462|2.810504|2.787465|0.064235|0.060118|0.063605|0.089695|0.078915|0.069404|0.064855|0.068568|0.079536|0.079112|0.078002|0.091853|0.074178|0.082900|0.089074|0.086550|0.101840|0.094005|0.214689|0.173380|0.500000| |2.194422|2.628917|2.824890|2.651823|2.653418|2.833082|3.045819|3.043994|4.147523|3.515884|7.716574|3.064193|4.507612|3.054564|3.893393|7.085981|4.149952|0.114993|3.219257|7.578912|0.145323|8.989227|17.570934|8.805097|5.527024|4.885502|9.541488|4.892098|7.550825|7.323283|3.171721|2.774308|2.853338|3.031265|0.059947|0.056655|0.057785|0.079252|0.071713|0.067973|0.068025|0.075406|0.085435|0.074422|0.073806|0.081091|0.073205|0.081689|0.092277|0.078698|0.085871|0.085944|0.214456|0.214357|0.302947|0.500000| |1.769610|2.026324|2.112853|1.989071|1.988320|2.113342|2.262478|2.263690|3.182905|2.691658|5.572832|2.548599|3.940215|2.782167|3.426644|5.984923|4.157323|0.117344|3.474594|7.795050|0.136486|6.902237|8.907644|17.560884|8.925484|6.865715|12.616448|7.333682|13.302584|8.886847|3.842543|3.483372|3.121601|3.753779|0.048899|0.045922|0.047462|0.060897|0.055217|0.051892|0.051858|0.057278|0.064708|0.059242|0.062998|0.067944|0.066792|0.079102|0.081715|0.082215|0.091564|0.100126|0.140990|0.205148|0.173783|0.215012|0.500000| |1.921496|2.197810|2.168052|1.988285|1.902913|1.963868|2.133360|2.256330|3.271941|2.747242|5.348558|2.737153|4.202573|2.739223|3.926906|7.616714|4.590109|0.110995|4.171733|9.385945|0.209515|5.733217|6.858493|8.843010|17.517982|8.862000|9.652380|5.439436|8.986190|7.645437|3.372482|3.381148|2.905673|2.937790|0.052639|0.048956|0.052870|0.068147|0.060414|0.052740|0.049218|0.051719|0.059514|0.062514|0.066244|0.077231|0.066400|0.077911|0.075426|0.094045|0.124221|0.114838|0.128171|0.133880|0.200894|0.139887|0.174443|0.500000| |1.668612|1.876274|1.883774|1.753968|1.711774|1.784225|1.919381|1.979662|2.847222|2.381497|4.670454|2.379396|3.702925|2.545280|3.304757|5.968302|4.085281|0.106031|3.862480|7.608559|0.144811|4.919707|5.545069|8.850139|17.610075|8.958472|9.500195|6.479031|12.855605|8.230907|3.751303|3.883914|3.025157|3.375642|0.046070|0.043030|0.045676|0.057048|0.051383|0.046461|0.044699|0.047792|0.054302|0.054472|0.059003|0.065615|0.061973|0.074205|0.070945|0.088128|0.108699|0.115361|0.108098|0.130684|0.139779|0.123713|0.216811|0.302666|0.500000| |1.785059|1.998080|2.043048|1.868068|1.840847|1.975825|2.185316|2.230696|3.304290|2.894956|5.822347|2.960226|4.976369|3.558072|4.535739|7.348373|6.848109|0.191576|6.008240|12.389514|0.180742|7.029311|5.738015|6.752480|8.765671|17.597470|6.232206|4.030463|7.775868|5.633175|2.689667|2.662432|2.289411|2.604491|0.050297|0.045738|0.048260|0.061127|0.053290|0.048491|0.047415|0.053088|0.063651|0.062579|0.072947|0.078557|0.082669|0.108635|0.099627|0.128511|0.146254|0.193788|0.144194|0.214927|0.132159|0.128749|0.201506|0.172868|0.213647|0.500000| |1.838262|2.044948|2.029181|1.834599|1.770518|1.868239|2.072816|2.177454|3.276614|2.840744|5.464817|3.022154|5.042015|3.382385|4.819868|8.330035|6.944137|0.159965|7.502756|12.330966|0.221573|5.604929|4.892777|5.493468|8.853000|17.682846|5.632198|3.632052|6.750098|5.275906|2.537037|2.592792|2.202991|2.366206|0.051647|0.046675|0.050467|0.063487|0.054719|0.048082|0.045515|0.049531|0.059403|0.063270|0.073832|0.083559|0.080088|0.102809|0.089830|0.146667|0.215734|0.234350|0.126180|0.144776|0.127857|0.107736|0.140579|0.215904|0.213821|0.301277|0.500000| |1.882239|2.202370|2.250105|2.158226|2.111852|2.148728|2.236569|2.293071|3.118111|2.514319|5.035463|2.322493|3.360665|2.265227|2.892859|5.504247|3.103216|0.082288|2.688090|5.565169|0.115583|4.699105|7.442862|8.946848|6.035379|4.269276|26.071923|9.404292|10.898148|14.655695|5.054612|4.181592|4.427549|4.198183|0.050583|0.049020|0.050940|0.065885|0.062198|0.057691|0.055686|0.057263|0.061283|0.058406|0.057236|0.064220|0.056090|0.062210|0.065339|0.065495|0.075471|0.073717|0.113186|0.116705|0.213073|0.198755|0.185173|0.169999|0.148048|0.107492|0.100964|0.500000| |1.350523|1.500227|1.496207|1.453205|1.423530|1.433032|1.472545|1.506085|2.069800|1.627538|3.100750|1.582127|2.288308|1.588894|1.895018|3.522516|2.058436|0.055007|1.978669|3.316988|0.068309|2.440822|2.895648|3.562505|3.531236|2.780402|6.151940|5.878180|9.715825|12.777239|8.828799|17.556745|6.935716|5.484800|0.036505|0.035680|0.037307|0.044108|0.042516|0.039692|0.038327|0.038753|0.040622|0.040155|0.040418|0.044289|0.040556|0.044854|0.044697|0.049407|0.056567|0.056546|0.061018|0.065385|0.080722|0.076536|0.093022|0.100236|0.109882|0.073432|0.074008|0.119301|0.500000| |1.224658|1.350103|1.358848|1.330848|1.317579|1.330855|1.357621|1.372643|1.876300|1.469181|2.800902|1.425475|2.058929|1.452419|1.677335|3.070214|1.823410|0.049565|1.756442|2.869006|0.058098|2.139541|2.475271|2.981189|2.885088|2.383388|4.914826|4.714276|8.462874|10.034812|8.886156|17.564639|6.966691|6.777798|0.033216|0.032573|0.033704|0.039340|0.038157|0.036331|0.035712|0.036324|0.037616|0.036418|0.036762|0.039594|0.037289|0.041078|0.041089|0.044388|0.049519|0.050557|0.053927|0.058663|0.067460|0.067106|0.081750|0.078997|0.089413|0.064922|0.063337|0.094917|0.301530|0.500000| |1.305267|1.445361|1.457237|1.411974|1.396744|1.424348|1.469516|1.487728|2.054310|1.631958|3.136772|1.591493|2.335554|1.647804|1.929266|3.511672|2.149093|0.058366|2.069591|3.453358|0.069053|2.547416|2.967336|3.814662|3.764826|2.991829|6.291722|6.655462|13.570646|12.186827|8.776974|17.634972|5.504653|6.884870|0.035576|0.034485|0.035849|0.042490|0.040532|0.038227|0.037536|0.038794|0.040985|0.039715|0.040781|0.044052|0.041877|0.046985|0.046592|0.051516|0.058165|0.060327|0.062615|0.070205|0.079222|0.078578|0.105651|0.099987|0.123647|0.081818|0.078819|0.113229|0.300143|0.301252|0.500000| |1.404688|1.581401|1.616971|1.618685|1.616150|1.611736|1.608641|1.612001|2.140241|1.653042|3.191489|1.547838|2.185928|1.529134|1.770055|3.278021|1.863928|0.050908|1.718595|2.965576|0.060619|2.359004|2.882990|3.236390|2.798175|2.310071|5.770753|4.984944|7.338320|13.219942|8.820005|5.511745|17.575653|6.962130|0.037619|0.037628|0.038262|0.045532|0.045354|0.044418|0.044284|0.044065|0.043931|0.041009|0.039686|0.042823|0.039228|0.042250|0.043995|0.043682|0.048084|0.048119|0.060817|0.063732|0.079822|0.083348|0.086780|0.077493|0.079281|0.062323|0.059178|0.126331|0.141798|0.141516|0.123084|0.500000| 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