Version2.0 2020-01-11T19:01:17Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc5cccc(NC(=O)Nc4ccc(c2ccc(OCCN1CCCC1=O)c3[nH]nc(N)c23)cc4)c5 371210 CHEMBL376245 RHF 6-31G(d) (6D,7F) Cc5cccc(NC(=O)Nc4ccc(c2ccc(OCCN1CCCC1=O)c3[nH]nc(N)c23)cc4)c5 C01[X(C27H28N6O3)] 186 C1 596 O=C(Nc1cccc(c1)C)Nc1ccc(cc1)c1ccc(c2c1c(N)n[nH]2)OCCN1CCCC1=O O=C(Nc1cccc(c1)C)Nc1ccc(cc1)c1ccc(c2c1c(N)n[nH]2)OCCN1CCCC1=O Cc1cccc(NC(=O)Nc2ccc(cc2)c3ccc(OCCN4CCCC4=O)c5[nH]nc(N)c35)c1 InChIKey=LXNNTWRSZCNLBX-UHFFFAOYSA-N InChI=1S/C27H28N6O3/c1-17-4-2-5-20(16-17)30-27(35)29-19-9-7-18(8-10-19)21-11-12-22(25-24(21)26(28)32-31-25)36-15-14-33-13-3-6-23(33)34/h2,4-5,7-12,16H,3,6,13-15H2,1H3,(H3,28,31,32)(H2,29,30,35) InChI=1/C27H28N6O3/c1-17-4-2-5-20(16-17)30-27(35)29-19-9-7-18(8-10-19)21-11-12-22(25-24(21)26(28)32-31-25)36-15-14-33-13-3-6-23(33)34/h2,4-5,7-12,16H,3,6,13-15H2,1H3,(H3,28,31,32)(H2,29,30,35)/f/h29-31H,28H2 Cc5cccc(NC(=O)Nc4ccc(c2ccc(OCCN1CCCC1=O)c3[nH]nc(N)c23)cc4)c5 C01[X(C27H28N6O3)] 186 C01 596 O=C(Nc1cccc(c1)C)Nc1ccc(cc1)c1ccc(c2c1c(N)n[nH]2)OCCN1CCCC1=O O=C(Nc1cccc(c1)C)Nc1ccc(cc1)c1ccc(c2c1[C@H](N)NN2)OCCN1CCCC1=O Cc1cccc(NC(=O)Nc2ccc(cc2)c3ccc(OCCN4CCCC4=O)c5NN[C@@H](N)c35)c1 InChIKey=FTKIIVUFWOOBJV-AREMUKBSSA-N InChI=1S/C27H30N6O3/c1-17-4-2-5-20(16-17)30-27(35)29-19-9-7-18(8-10-19)21-11-12-22(25-24(21)26(28)32-31-25)36-15-14-33-13-3-6-23(33)34/h2,4-5,7-12,16,26,31-32H,3,6,13-15,28H2,1H3,(H2,29,30,35)/t26-/m1/s1 InChI=1/C27H30N6O3/c1-17-4-2-5-20(16-17)30-27(35)29-19-9-7-18(8-10-19)21-11-12-22(25-24(21)26(28)32-31-25)36-15-14-33-13-3-6-23(33)34/h2,4-5,7-12,16,26,31-32H,3,6,13-15,28H2,1H3,(H2,29,30,35)/t26-/m1/s1/f/h29-30H 3470.0506032023 -1590.0706436 1-A 37152.4699 128 468 596 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10.29017
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1.5535 1.5926 1.3414 2.8237 1.6544 1.6712 2.7277 1.9782 2.8660 2.5145 1.2594 1.5205 2.4209 1.7898 1.0965 1.2596 2.3126 1.0664 1.1353 1.1531 1.1203 2.2412 2.6654 1.1173 2.1712 3.2339 2.0330 4.0850 3.5415 3.9557 3.7188 4.9187 4.8581 4.8409 1.8474 10.9938 7.9114 1.0702 1.0391 1.0592 1.0702 1.0709 1.0711 1.1018 1.0949 1.0994 1.1037 1.1027 1.0994 1.0978 1.0911 1.0902 1.0888 1.0895 1.0958 1.0943 1.0941 1.0920 1.0942 1.0937 1.0495 1.0780 1.0845 1.0773 1.0978 0.0002 0.0002 0.0005 0.0003 0.0019 0.0020 0.0056 0.0091 0.0093 0.0111 0.0163 0.0185 0.0285 0.0387 0.0419 0.0494 0.0528 0.0766 0.0639 0.0903 0.0718 0.0942 0.1462 0.2024 0.2077 0.1493 0.1919 0.0994 0.1526 0.3335 0.2239 0.2918 0.1213 0.3261 0.4560 0.4841 0.4182 0.3798 0.4321 0.6515 0.4101 0.3981 0.3355 0.2832 0.9170 0.7977 0.6760 0.8272 0.6221 0.9095 1.2138 0.6196 0.8063 1.4716 1.2771 1.1731 1.4412 1.3331 1.0564 0.7980 1.5700 1.4647 1.1461 1.7267 1.8307 2.8169 1.2605 1.7727 0.7783 1.4568 0.8347 1.0029 1.0835 0.9303 1.2872 0.8725 0.7922 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22.5332 37.1925 1.9658 3.3566 0.6806 0.4474 1.9873 10.4616 1.1438 101.3185 52.7696 127.7302 1.4217 3.1373 11.3449 2.0715 8.9963 2.3865 5.0921 56.2320 14.4684 12.9549 10.9434 16.9213 4.5979 4.3379 29.1385 7.9978 41.6763 18.2208 5.9409 78.2257 46.0351 31.8583 42.8366 91.1100 92.4955 8.3711 48.4401 15.2924 23.9842 5.0793 10.7870 14.7352 22.3561 6.5296 2.0074 5.9823 2.9035 1.9222 1.3361 0.4679 1.6741 3.8454 0.5405 0.5997 3.6784 0.4882 1.6559 4.6044 24.0808 4.8080 8.0404 45.0232 36.9676 7.1375 2.8403 8.7807 47.0118 17.0924 4.7568 107.0168 24.7127 29.2499 2.3311 58.8658 39.9550 187.3893 5.3433 315.2421 10.3544 122.4542 15.7068 569.8334 123.2741 7.9588 34.7022 69.7152 37.6070 10.9331 24.4585 27.0211 104.9118 34.1653 18.2828 196.4400 63.4895 179.1553 13.9310 5.8156 8.1346 86.9054 118.7956 2.1409 37.1452 31.8897 4.4923 25.4713 19.1168 27.5657 292.9206 25.3257 11.2900 300.4808 386.2140 669.2316 124.8720 152.0073 36.4722 82.3293 76.9889 96.4146 6.3821 82.7908 462.9419 238.8748 66.0701 40.7842 18.4917 80.6521 17.0588 29.8188 33.6533 62.7430 30.9205 24.2010 38.9576 21.3403 8.9394 27.4640 33.2740 10.6333 29.5948 32.6018 9.7654 19.8880 5.2507 0.6321 0.8648 18.1237 4.9657 368.3586 47.7503 18.8499 0.6638 4.1300 0.2803 0.4414 0.2541 2.8560 1.0606 1.1939 1.4999 10.5663 0.6962 3.9067 3.0335 1.1033 0.6265 0.9197 1.6462 0.6719 0.2228 2.3487 1.0107 2.4040 2.3603 0.9866 0.4791 4.1000 2.9319 2.8331 1.4618 3.7999 0.2908 0.7825 0.9508 0.3102 1.3679 0.9910 1.4561 1.7856 0.5067 3.5468 0.3438 5.3518 1.8573 1.8465 6.7156 0.6764 2.8296 3.7929 2.8155 1.2966 7.8717 2.0759 4.8774 6.3702 3.5952 1.4093 3.0932 7.2749 6.3825 0.7262 10.9714 3.2268 5.7957 3.0227 3.1713 0.3975 2.4405 5.0048 0.9070 0.3915 2.8606 4.7968 5.9173 31.0413 12.2643 2.4929 2.0894 2.2618 8.6931 1.3582 5.1655 4.3282 8.9570 4.0852 4.3859 2.9170 44.1303 3.3062 5.6076 2.8122 0.6851 0.5572 4.3911 1.0006 2.3487 57.4443 8.8784 1.9687 4.2577 1.1877 4.7212 28.6630 7.4716 8.9908 1.1852 2.8602 1.9318 5.5623 35.2445 8.5057 4.7561 2.0058 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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 7 6 8 7 6 6 6 6 6 6 6 6 8 6 6 7 6 6 6 6 8 6 7 1 7 6 7 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 14.00307 1.00783 14.00307 12.00000 14.00307 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
4665.9617 64639.0926 66288.8707 1.00000 -0.00066 0.00301 0.00065 1.00000 0.00195 -0.00302 -0.00195 0.99999 1 0.01856 0.00134 0.00131 0.38679 0.02792 0.02723 10.72 12.23 18.80 28.62 33.32 38.55 60.53 65.30 76.03 96.78 102.13 109.11 136.67 153.21 181.52 218.44 230.61 245.83 251.79 290.14 301.70 324.79 339.86 357.87 371.36 387.54 436.83 442.14 461.53 502.03 510.93 525.68 536.08 545.16 587.43 619.08 644.90 666.97 681.34 698.53 708.23 768.47 775.45 784.62 807.57 838.75 850.32 866.39 885.99 902.31 927.33 943.91 960.85 988.40 1011.03 1032.59 1040.81 1059.68 1085.04 1106.09 1131.39 1154.27 1157.93 1163.00 1181.44 1200.65 1223.81 1267.98 1274.90 1287.59 1333.66 1338.24 1343.73 1352.56 1371.08 1384.84 1390.39 1420.12 1444.89 1463.24 1468.58 1470.41 1485.64 1493.99 1546.75 1550.65 1560.75 1579.47 1588.71 1591.88 1604.49 1609.66 1657.51 1672.93 1683.21 1694.17 1708.54 1734.06 1735.62 1736.74 1759.53 1762.81 1790.02 1825.89 1860.38 1866.38 1870.67 1875.04 1890.95 1894.61 1921.47 1931.51 1939.08 1952.76 1964.84 1981.47 2011.26 2017.06 2045.92 2048.46 2065.17 2098.15 2101.69 2114.65 2129.00 2139.16 2153.92 2199.42 2211.28 2226.80 2247.40 2253.80 2263.29 2270.96 2313.50 2324.12 2339.10 2348.54 2351.89 2356.56 2373.99 2396.61 2403.01 2411.50 2430.06 2441.77 2457.67 2495.20 2536.61 2568.33 2585.06 2586.16 2613.37 2614.98 2621.01 2642.70 2810.33 2830.35 4589.02 4609.02 4612.88 4643.69 4644.72 4657.09 4679.20 4686.15 4689.61 4718.64 4732.20 4755.97 4772.04 4793.71 4810.45 4826.61 4841.20 4857.02 4861.18 4867.23 4886.84 4956.91 4978.47 5438.83 5565.18 5570.39 5583.99 5585.74 0.561249 0.591957 0.592901 0.491439 -1589.509395 -1589.478686 -1589.477742 -1589.579204 3.403052D-04
MUNgauss RevisionA2.0 retrievium 11-Jan-2020 DUDE Cc5cccc(NC(=O)Nc4ccc(c2ccc(OCCN1CCCC1=O)c3[nH]nc(N)c23)cc4)c5 371210 CHEMBL376245 RHF 6-31G(d) (6D,10F) C1 484.222289 |X|Y|Z| 43.828051 31.946614 184.961943
63.741135 32 6 7 8 26 5 1
|36.858105| |12.606104|36.858105| |7.549986|13.708323|36.858105| |5.025357|7.938995|13.779554|36.858105| |4.416279|6.797216|7.881901|13.750306|36.858105| |5.002832|7.857538|6.854645|7.981128|13.720352|36.858105| |3.887853|5.179625|4.550821|5.139135|7.725234|13.513941|53.358707| |3.077811|3.892902|3.676103|4.315363|6.262587|7.635021|18.900303|36.858105| |2.857021|3.622360|3.632599|4.500516|6.560826|6.550626|11.409424|15.918195|73.516695| |2.682306|3.205894|2.972508|3.318694|4.352905|5.231356|11.387509|13.857113|14.926328|53.358707| |2.243922|2.611739|2.486235|2.775061|3.474613|3.856566|7.135042|7.675176|11.789782|18.379376|36.858105| |2.026715|2.301101|2.180854|2.384060|2.882337|3.185724|5.619903|5.226312|8.156749|10.806781|13.724036|36.858105| |1.772413|1.984387|1.905894|2.076498|2.445650|2.622985|4.377726|3.932872|6.584286|7.052248|7.914948|13.773498|36.858105| |1.688530|1.893687|1.844604|2.026319|2.370629|2.481768|4.037489|3.676255|6.518302|6.148779|6.784569|7.887482|13.703740|36.858105| |1.492055|1.650846|1.617596|1.761730|2.013697|2.081694|3.277773|2.861930|5.136048|4.543167|4.431350|5.038084|7.606446|12.772721|36.858105| |1.409082|1.539439|1.496839|1.608165|1.818216|1.898320|2.970033|2.520939|4.433178|4.009095|3.729843|4.339810|6.205548|7.682436|13.901438|36.858105| |1.275842|1.382622|1.350652|1.443909|1.610021|1.666601|2.557824|2.129686|3.775085|3.290756|2.926507|3.293247|4.291675|5.003991|7.779992|13.429002|36.858105| |1.219985|1.324167|1.305391|1.401757|1.554429|1.587883|2.408260|2.004548|3.612883|3.029361|2.663113|2.912672|3.675369|4.381234|6.666614|7.882340|13.999963|36.858105| |1.123586|1.211960|1.197968|1.280513|1.405598|1.429504|2.141631|1.758236|3.173984|2.617455|2.241392|2.417231|2.923160|3.346407|4.534274|5.148206|7.842648|14.117907|73.516695| |1.067424|1.143635|1.126110|1.195311|1.305648|1.334150|1.993344|1.616453|2.889124|2.409123|2.031999|2.213182|2.635299|2.884964|3.705830|4.363753|6.403651|7.943209|24.192692|36.858105| |0.996961|1.065584|1.054216|1.118119|1.212749|1.230955|1.821521|1.466869|2.634538|2.157656|1.793852|1.931611|2.246545|2.432820|2.997160|3.315434|4.328987|5.333050|14.445414|12.522035|36.858105| |1.002973|1.074869|1.066861|1.135120|1.231466|1.244642|1.839619|1.482794|2.670572|2.173971|1.806846|1.952398|2.268867|2.439276|2.979853|3.174204|3.948503|4.916040|11.698928|7.723710|13.182386|53.358707| |0.986305|1.054180|1.044149|1.107521|1.199671|1.215698|1.796199|1.438050|2.572540|2.111785|1.741674|1.901635|2.192232|2.290596|2.724131|2.904781|3.471356|3.995091|8.429534|5.669425|7.505476|17.867897|36.858105| |1.005703|1.078967|1.073433|1.143522|1.239006|1.248311|1.840635|1.476345|2.653918|2.155892|1.776308|1.935725|2.219869|2.312915|2.709283|2.772068|3.162430|3.655158|7.205947|4.297046|5.099146|11.059845|12.403390|36.858105| |0.999056|1.074726|1.075287|1.150205|1.244008|1.243934|1.825399|1.470305|2.671521|2.127267|1.754292|1.878534|2.145241|2.290394|2.693888|2.687404|3.061858|3.700995|7.489815|4.155957|5.118515|11.162712|7.905543|12.442853|36.858105| |1.010005|1.086453|1.084694|1.159798|1.257173|1.260763|1.855983|1.501665|2.730546|2.182166|1.813850|1.936258|2.236972|2.439127|2.959575|3.012425|3.603185|4.626821|10.418438|5.654081|7.727999|19.152220|8.101665|7.923992|12.555241|36.858105| |1.015619|1.094472|1.096156|1.175057|1.272839|1.271091|1.866215|1.515366|2.776301|2.189342|1.821966|1.917534|2.207181|2.455690|2.985923|2.986823|3.551085|4.690323|10.699386|5.234289|6.644966|11.382972|5.433930|5.347512|7.848063|15.859815|73.516695| |1.273724|1.394751|1.385229|1.502883|1.675049|1.693686|2.568883|2.169722|3.978022|3.250031|2.898273|3.111534|3.938840|4.982356|7.824125|6.974188|8.060172|13.533079|14.530289|5.315848|4.281365|5.883804|3.588093|3.548749|3.764162|4.510613|8.483000|36.858105| |1.223621|1.340475|1.343255|1.462297|1.617498|1.614200|2.414899|2.027847|3.769958|2.967460|2.586621|2.707918|3.268559|3.994694|5.367143|4.700918|5.216274|7.667955|11.906006|4.609853|4.158589|6.027566|3.590654|3.710209|4.257488|5.128472|10.419396|14.221597|53.358707| |1.150764|1.254106|1.258374|1.363830|1.496198|1.490330|2.210798|1.834557|3.402305|2.663824|2.278719|2.379499|2.811375|3.316635|4.259562|3.955714|4.561163|6.653374|12.365934|4.848087|4.688663|6.947392|3.920997|4.036205|4.945352|6.409811|14.556578|9.050608|26.020195|0.500000| |1.291268|1.426882|1.440585|1.584999|1.761569|1.738523|2.596994|2.206423|4.176380|3.188063|2.789759|2.857393|3.387739|4.198348|5.200669|4.180457|4.194185|5.303539|8.131803|3.499655|3.235332|4.745043|3.005719|3.225515|3.664807|4.026274|7.944503|8.588536|19.202035|0.258373|53.358707| |1.407317|1.567422|1.576154|1.744646|1.968707|1.954178|2.968036|2.578551|4.893866|3.785557|3.439501|3.524077|4.312527|5.750416|7.138816|5.012403|4.570710|5.325052|7.507363|3.305823|2.939579|4.215018|2.755766|2.915359|3.135298|3.384299|6.387914|8.611197|12.205247|0.172769|20.095532|36.858105| |1.525542|1.721753|1.747110|1.965485|2.243007|2.193238|3.331926|2.958430|5.796468|4.246254|3.862418|3.766613|4.347010|5.645750|5.698908|4.085272|3.586010|3.890071|5.749152|2.671575|2.423946|3.471339|2.336855|2.495089|2.653555|2.766598|5.167572|5.330411|7.507073|0.122200|11.110640|13.711784|53.358707| |1.402677|1.551888|1.540234|1.686069|1.907039|1.931629|2.974509|2.574643|4.747884|3.911764|3.641065|3.910567|5.190278|7.432338|13.406752|8.017916|6.858752|7.765914|9.324613|3.972499|3.300763|4.581889|2.976498|3.025334|3.131938|3.494543|6.439185|13.701701|11.737173|0.166352|11.488330|13.193163|10.194879|36.858105| |1.811923|2.060994|2.023462|2.256562|2.678105|2.772602|4.524456|4.319306|8.038907|6.988244|7.941302|6.923646|8.001470|13.676470|7.561939|5.298286|3.937005|3.643856|5.188103|2.512202|2.171484|2.953727|2.024460|2.053340|2.074200|2.205387|4.021383|4.223060|4.942866|0.084906|5.434713|5.413002|8.179832|5.971510|36.858105| |2.086211|2.422595|2.361957|2.668114|3.284605|3.463513|5.934502|6.243243|11.580642|10.541408|13.705541|7.955954|6.884742|7.853867|5.017950|3.988756|3.123109|2.895669|4.291215|2.138033|1.882618|2.568873|1.787723|1.820714|1.828914|1.914597|3.470950|3.244116|3.950242|0.070047|4.343232|4.048308|6.388253|4.209520|13.775245|36.858105| |7.568763|13.749778|7.984739|6.949023|7.928449|13.682643|10.863982|5.176267|7.980932|5.612627|3.176323|2.743738|2.301561|2.167766|1.854067|1.721781|1.527149|1.451230|2.341082|1.239529|1.146826|1.573250|1.132939|1.158285|1.150269|1.165517|2.084358|1.529792|1.983921|0.037644|2.112883|1.724872|2.586820|1.720032|2.370212|2.861386|36.858105| |17.532479|8.850481|6.371490|4.495323|3.970483|4.406741|4.810913|2.882346|4.814108|3.447137|2.145325|1.932582|1.704145|1.637427|1.453754|1.377368|1.250683|1.196126|1.962432|1.048535|0.979156|1.335976|0.962482|0.978188|0.973799|0.987987|1.770529|1.246033|1.629432|0.031318|1.715053|1.369946|2.013858|1.367838|1.764407|2.022099|6.181469|0.500000| |17.570697|8.824732|5.608206|4.195021|3.953698|4.716129|5.300005|3.052058|4.912301|3.715674|2.271705|2.076472|1.806879|1.702779|1.503031|1.427756|1.290702|1.227714|2.008280|1.077068|1.003865|1.373417|0.995059|1.012670|1.001472|1.012260|1.804013|1.275473|1.659862|0.031850|1.743670|1.398014|2.050712|1.403584|1.809412|2.079928|7.166145|0.301971|0.500000| |17.567520|8.841506|7.021110|4.687187|3.950312|4.204773|4.545446|2.727033|4.577237|3.262292|2.041305|1.863278|1.645542|1.571221|1.399529|1.322596|1.204502|1.156950|1.902176|1.018352|0.955428|1.311497|0.949484|0.970421|0.964484|0.971761|1.735992|1.208445|1.587757|0.030569|1.676341|1.334949|1.968107|1.324701|1.676871|1.908820|5.692273|0.302203|0.301656|0.500000| |6.986114|8.897139|17.706330|8.920953|5.624813|4.941688|4.927773|3.051863|5.425274|3.465744|2.183667|1.943078|1.722833|1.675883|1.487462|1.382876|1.257694|1.220266|2.002511|1.061538|0.998200|1.375120|0.989515|1.017301|1.020466|1.028009|1.847813|1.292108|1.713304|0.032907|1.833291|1.461801|2.193795|1.425619|1.826827|2.095941|5.660619|0.172663|0.141790|0.207867|0.500000| |4.095328|5.648566|8.942626|17.710595|8.971799|5.673767|5.659054|3.742303|7.224436|4.020443|2.555125|2.213531|1.960881|1.935846|1.700799|1.548116|1.399173|1.369085|2.232581|1.170155|1.099931|1.523609|1.090715|1.129777|1.141806|1.149030|2.074868|1.474421|1.969397|0.037589|2.145120|1.723174|2.654012|1.647621|2.157429|2.508413|4.990808|0.104999|0.096527|0.111015|0.215690|0.500000| |3.539489|4.920953|5.629640|8.907128|17.826866|8.904329|9.520627|6.809054|14.765197|6.253650|3.776790|3.072709|2.618962|2.572564|2.169815|1.929321|1.702120|1.653099|2.646352|1.372886|1.274955|1.768066|1.261343|1.308418|1.319624|1.333076|2.405926|1.801972|2.378787|0.044696|2.622147|2.167855|3.429904|2.071090|2.956614|3.660964|5.642719|0.090545|0.090163|0.090114|0.124041|0.216127|0.500000| |3.935375|4.941865|4.101541|4.313044|5.760651|9.372678|26.082695|9.414649|10.878892|10.911763|5.034185|4.164626|3.211155|2.894050|2.360819|2.175661|1.872399|1.745625|2.762024|1.456258|1.326803|1.817748|1.308620|1.334363|1.315053|1.338492|2.383355|1.839801|2.336405|0.043756|2.483605|2.078019|3.116984|2.115971|3.157572|4.045530|7.705975|0.099311|0.114500|0.092718|0.092823|0.098499|0.143344|0.500000| |2.744459|3.220618|2.906755|3.148519|4.019776|5.024444|10.857284|9.389679|10.889768|26.076484|9.356306|7.591537|4.907782|4.063227|3.097640|2.814770|2.327837|2.125045|3.283966|1.721058|1.542623|2.115138|1.522112|1.550198|1.515914|1.549016|2.743876|2.243906|2.781190|0.051309|2.949328|2.538064|3.788128|2.654787|4.307054|5.781663|4.190311|0.071320|0.079314|0.067962|0.069381|0.077227|0.113091|0.251483|0.500000| |2.078612|2.341243|2.188972|2.359811|2.834149|3.197093|5.661437|4.909196|7.353630|9.943935|8.903278|17.688126|8.940864|5.629116|4.110545|3.748308|2.958948|2.620660|3.944027|2.071602|1.823492|2.516208|1.826089|1.860071|1.785044|1.821758|3.179534|2.744007|3.291364|0.059945|3.437249|3.019051|4.341331|3.312870|4.976091|5.647549|2.807005|0.054598|0.059895|0.053117|0.054162|0.060405|0.082235|0.121095|0.230126|0.500000| |1.658815|1.834421|1.758600|1.895774|2.197821|2.354796|3.853110|3.316737|5.533943|5.730735|5.646156|8.959932|17.721156|8.915186|7.040995|6.548273|4.595542|3.826884|5.415905|2.806962|2.373417|3.276577|2.362475|2.381919|2.251259|2.335328|4.025607|3.942778|4.402300|0.078133|4.428253|3.998965|5.246206|4.923498|5.668453|4.958555|2.105777|0.044262|0.047212|0.043030|0.044479|0.049878|0.064689|0.079556|0.116205|0.217026|0.500000| |1.453834|1.582259|1.523693|1.625794|1.841981|1.950552|3.080320|2.594880|4.467794|4.216509|3.902346|4.682283|6.617837|7.145882|9.008079|17.725398|8.886251|5.655916|7.419236|3.784925|2.939021|3.804059|2.621544|2.489275|2.380853|2.624683|4.593523|5.005970|5.057668|0.089924|4.640860|4.019137|4.761893|5.669580|5.032697|4.004608|1.780735|0.039491|0.041158|0.037756|0.039010|0.043158|0.053803|0.063537|0.083604|0.114038|0.200773|0.500000| |1.227475|1.320426|1.284592|1.362981|1.510933|1.571573|2.401757|1.971919|3.465069|3.041278|2.645034|2.975793|3.737615|4.110966|5.602002|8.842248|17.719106|8.996532|12.425113|6.833779|4.428264|5.240329|3.446873|3.025835|2.869965|3.373230|5.823625|5.682057|5.666383|0.106487|4.662068|3.635037|4.061957|4.945676|3.347385|2.766324|1.454300|0.033489|0.034603|0.032210|0.033318|0.036626|0.044022|0.049219|0.060499|0.076054|0.112950|0.216752|0.500000| |1.090809|1.168480|1.146637|1.215673|1.331507|1.367047|2.052846|1.662850|2.949710|2.499729|2.113772|2.346460|2.823333|3.017265|3.869617|4.693273|6.865318|7.499790|16.528097|17.555957|8.813131|9.657668|6.094531|4.572771|4.095286|5.126528|7.991863|5.099471|5.827779|0.120299|4.579737|3.271526|3.633398|3.996224|2.563012|2.189334|1.270630|0.029679|0.030671|0.028896|0.029971|0.032959|0.038832|0.041821|0.049939|0.061488|0.085715|0.114507|0.211650|0.500000| |1.051101|1.122043|1.101913|1.165039|1.269848|1.301851|1.942590|1.568454|2.794298|2.337637|1.959383|2.121158|2.497760|2.723336|3.422811|4.116461|5.923034|6.497181|16.540436|17.535998|8.849333|7.641276|4.483250|3.498439|3.401472|4.406438|7.575301|4.494965|5.301075|0.112088|4.179128|2.953348|3.323219|3.538901|2.401706|2.061074|1.215153|0.028768|0.029489|0.027822|0.028880|0.031629|0.036937|0.039560|0.046490|0.055286|0.073413|0.102762|0.193305|0.300548|0.500000| |0.956926|1.018219|1.005265|1.061426|1.147243|1.167316|1.722957|1.377386|2.461935|2.024358|1.667456|1.797547|2.066794|2.199617|2.644537|2.947641|3.740397|4.272395|10.311717|8.876271|17.542049|12.528834|7.168190|4.655043|4.417969|5.852845|8.952873|3.494685|4.585464|0.102832|3.726597|2.535659|2.917468|2.827858|1.971481|1.733206|1.093495|0.026121|0.026814|0.025504|0.026491|0.028978|0.033354|0.034992|0.040440|0.047588|0.060937|0.074654|0.110358|0.207382|0.218191|0.500000| |0.979645|1.047248|1.039204|1.103231|1.193543|1.206563|1.777622|1.432037|2.587087|2.091531|1.733643|1.841535|2.123423|2.328612|2.847098|3.084270|3.940158|4.942077|13.471467|8.934640|17.629952|12.588243|5.664105|4.343469|4.756009|7.411117|13.396659|4.146721|5.720315|0.136528|4.437507|2.902092|3.264326|3.188474|2.119062|1.838323|1.123836|0.026788|0.027327|0.026090|0.027378|0.030227|0.034893|0.035857|0.041343|0.048067|0.061338|0.075901|0.109931|0.174188|0.210221|0.301086|0.500000| |1.011529|1.080148|1.065084|1.127425|1.224724|1.248557|1.854408|1.483769|2.635618|2.197733|1.817571|2.010363|2.335296|2.407279|2.871331|3.144248|3.789783|4.176059|8.497642|6.031754|6.868235|12.351141|17.575089|8.698821|5.745742|5.988789|7.932147|3.616330|4.692780|0.100803|3.949849|2.741572|3.172090|3.045604|2.094004|1.848752|1.165060|0.027396|0.028435|0.027002|0.027982|0.030723|0.035683|0.037697|0.044227|0.053890|0.071081|0.079591|0.107001|0.203396|0.133008|0.190744|0.139898|0.500000| |0.934444|0.994771|0.985476|1.041645|1.122767|1.137208|1.671652|1.329603|2.376440|1.942759|1.586591|1.720730|1.955651|2.031465|2.369977|2.525908|2.972961|3.339011|7.024648|4.762586|6.519275|12.358247|17.505680|8.700675|6.451868|6.423903|8.341699|3.017773|4.139529|0.092382|3.541921|2.394892|2.817373|2.557190|1.819090|1.624486|1.064885|0.025362|0.026190|0.025035|0.026018|0.028524|0.032683|0.033878|0.038998|0.046156|0.058212|0.064417|0.083479|0.137267|0.111818|0.197486|0.145261|0.301820|0.500000| |1.061620|1.142853|1.135433|1.212671|1.320918|1.333527|1.978050|1.594008|2.859225|2.342793|1.945361|2.145655|2.489029|2.575236|3.030829|3.075083|3.452661|3.947658|7.369296|4.261858|4.608791|9.102523|8.835372|17.572925|8.833265|6.548701|8.542442|3.899639|5.425573|0.115830|4.773285|3.231683|3.744355|3.380349|2.247813|1.983195|1.232361|0.028607|0.029728|0.028415|0.029795|0.033210|0.038837|0.039827|0.046818|0.057259|0.075064|0.076175|0.090092|0.131288|0.095910|0.115075|0.108912|0.224119|0.174930|0.500000| |0.969686|1.037225|1.032354|1.096736|1.183256|1.191284|1.748647|1.392712|2.498358|2.024637|1.650736|1.794541|2.027342|2.083873|2.382651|2.430238|2.711321|3.037543|5.879851|3.530331|4.133315|7.959218|8.704008|17.600971|8.660933|5.732124|7.589364|2.967227|4.208643|0.092229|3.784333|2.547674|3.047424|2.612475|1.866809|1.678847|1.109665|0.026175|0.027139|0.026061|0.027244|0.030129|0.034613|0.035257|0.040615|0.048342|0.060382|0.061711|0.072951|0.104320|0.083132|0.110431|0.100620|0.191571|0.219782|0.302084|0.500000| |1.033760|1.116845|1.121542|1.205556|1.306192|1.299664|1.906346|1.542435|2.819457|2.222642|1.837649|1.959168|2.234576|2.400038|2.803860|2.714557|3.011127|3.646693|7.029705|3.701080|4.236281|8.203648|5.718250|8.619224|17.617463|8.866021|12.546221|3.929949|6.325695|0.148576|5.673708|3.476774|4.013180|3.336786|2.185412|1.924165|1.195669|0.027942|0.028724|0.027736|0.029538|0.033327|0.038682|0.037964|0.043794|0.051487|0.064616|0.066382|0.076734|0.101820|0.085386|0.101453|0.112263|0.129142|0.132764|0.220411|0.188951|0.500000| |0.948199|1.016831|1.019154|1.087485|1.169625|1.166806|1.701608|1.362306|2.477295|1.957936|1.598762|1.698293|1.912527|2.032003|2.346241|2.343631|2.642998|3.123730|6.338716|3.581599|4.509302|8.900719|6.496266|8.711510|17.536809|8.997186|11.958480|3.159287|4.849711|0.114627|4.291190|2.717008|3.205948|2.687098|1.866542|1.664765|1.083187|0.025704|0.026377|0.025487|0.026957|0.030058|0.034382|0.034055|0.038813|0.045031|0.055421|0.058505|0.069850|0.096633|0.084461|0.113354|0.121192|0.133635|0.170540|0.174456|0.217518|0.302297|0.500000| |1.478599|1.667215|1.707767|1.926548|2.174130|2.095025|3.125786|2.728461|5.389960|3.818768|3.335719|3.236899|3.606781|4.379866|4.442728|3.415637|3.114350|3.431313|5.283004|2.487056|2.314937|3.359949|2.270654|2.464957|2.666595|2.729390|5.128744|4.569857|6.930196|0.118188|10.638410|9.597752|25.957490|5.688852|4.645902|3.920121|1.821088|0.039804|0.040404|0.039158|0.044013|0.053653|0.068060|0.059433|0.070135|0.078364|0.091139|0.082715|0.073581|0.068661|0.063040|0.057045|0.064060|0.062114|0.056211|0.074927|0.061914|0.083707|0.066334|0.500000| |1.618146|1.838303|1.857570|2.099077|2.430302|2.391424|3.694528|3.339966|6.510540|4.868852|4.556345|4.483118|5.157759|6.529836|5.907813|4.164204|3.516040|3.656525|5.363553|2.553599|2.303321|3.303707|2.270390|2.428663|2.518854|2.585712|4.721242|4.763125|6.316227|0.105386|8.340186|9.455790|25.992792|6.822859|6.811352|5.429900|2.050288|0.043329|0.044522|0.042502|0.047269|0.057437|0.076281|0.070298|0.087993|0.103616|0.123729|0.101270|0.081890|0.072234|0.065033|0.057168|0.062481|0.063689|0.055907|0.075267|0.061019|0.077235|0.062121|0.321248|0.500000| |1.717454|1.945369|1.931315|2.156500|2.518603|2.554699|4.033641|3.746424|7.230615|5.667998|5.662422|4.980356|5.673090|8.916797|6.990700|4.974552|3.909693|3.767839|5.402610|2.560387|2.223552|3.007348|2.027108|2.051540|2.110442|2.272146|4.220002|4.503882|5.386358|0.091782|6.029131|6.027851|9.098823|6.322245|17.743006|8.987987|2.201211|0.046778|0.047310|0.044337|0.048821|0.057961|0.077478|0.077672|0.098642|0.107951|0.124356|0.125899|0.091693|0.071088|0.068130|0.055666|0.061123|0.057603|0.050675|0.061756|0.051599|0.061911|0.052897|0.141490|0.187632|0.500000| |2.196213|2.583744|2.549949|2.927044|3.640682|3.753166|6.270003|6.733624|14.091724|9.582125|8.910449|5.656600|4.965050|5.620316|4.098046|3.365924|2.749801|2.601467|3.939168|1.966458|1.752808|2.387382|1.656737|1.688486|1.711470|1.790706|3.271989|2.912943|3.645562|0.065464|4.040367|3.654268|5.879038|3.651776|8.941869|17.805853|3.042285|0.059523|0.060056|0.055597|0.062568|0.076631|0.114758|0.114531|0.144528|0.124128|0.107736|0.093195|0.068467|0.055359|0.052935|0.044948|0.047966|0.047240|0.042106|0.050619|0.043444|0.050054|0.043625|0.103811|0.132927|0.217351|0.500000| |7.044756|8.943616|5.665733|4.987815|5.643198|8.913472|10.068969|4.871308|7.200255|5.677472|3.190503|2.805093|2.337720|2.172627|1.857912|1.743414|1.543341|1.454881|2.345267|1.247508|1.150301|1.573111|1.135288|1.155644|1.142006|1.159137|2.067038|1.520956|1.958633|0.037178|2.069158|1.689863|2.505773|1.705771|2.344561|2.816012|17.672863|0.164849|0.218313|0.145343|0.124313|0.108105|0.124106|0.237998|0.123078|0.081059|0.059776|0.050573|0.041041|0.035628|0.034068|0.030544|0.031233|0.032554|0.029659|0.034165|0.030759|0.032851|0.029851|0.048704|0.055189|0.060032|0.081624|0.500000|
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