Version2.1 2021-01-11T17:40:48Z 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 Cc3ccc(C(=O)Nc2cccc(N1CCOCC1)c2)cc3c5ccc4ccncc4c5 493821 CHEMBL497375 RHF 6-31G(d) (6D,7F) Cc3ccc(C(=O)Nc2cccc(N1CCOCC1)c2)cc3c5ccc4ccncc4c5 C01[X(C27H25N3O2)] 165 C1 530 O=C(c1ccc(c(c1)c1ccc2c(c1)cncc2)C)Nc1cccc(c1)N1CCOCC1 O=C(c1ccc(c(c1)c1ccc2c(c1)cncc2)C)Nc1cccc(c1)N1CCOCC1 Cc1ccc(cc1c2ccc3ccncc3c2)C(=O)Nc4cccc(c4)N5CCOCC5 InChIKey=WIOACADMIOVUDW-UHFFFAOYSA-N InChI=1S/C27H25N3O2/c1-19-5-6-22(16-26(19)21-8-7-20-9-10-28-18-23(20)15-21)27(31)29-24-3-2-4-25(17-24)30-11-13-32-14-12-30/h2-10,15-18H,11-14H2,1H3,(H,29,31) InChI=1/C27H25N3O2/c1-19-5-6-22(16-26(19)21-8-7-20-9-10-28-18-23(20)15-21)27(31)29-24-3-2-4-25(17-24)30-11-13-32-14-12-30/h2-10,15-18H,11-14H2,1H3,(H,29,31)/f/h29H Cc3ccc(C(=O)Nc2cccc(N1CCOCC1)c2)cc3c5ccc4ccncc4c5 C01[X(C27H25N3O2)] 165 C01 530 O=C(c1ccc(c(c1)c1ccc2c(c1)cncc2)C)Nc1cccc(c1)N1CCOCC1 O=C([C]1[CH][CH][C]([C]([CH]1)[C]1[CH]=[CH][C]2[C]([CH]=1)[CH][N][CH][CH]2)C)N[C]1[CH][CH][CH][C]([CH]1)N1CCOCC1 C[C]1[CH][CH][C]([CH][C]1C2=C[C]3[CH][N][CH][CH][C]3C=C2)C(=O)N[C]4[CH][CH][CH][C]([CH]4)N5CCOCC5 InChIKey=WIOACADMIOVUDW-UHFFFAOYSA-N InChI=1S/C27H25N3O2/c1-19-5-6-22(16-26(19)21-8-7-20-9-10-28-18-23(20)15-21)27(31)29-24-3-2-4-25(17-24)30-11-13-32-14-12-30/h2-10,15-18H,11-14H2,1H3,(H,29,31) InChI=1/C27H25N3O2/c1-19-5-6-22(16-26(19)21-8-7-20-9-10-28-18-23(20)15-21)27(31)29-24-3-2-4-25(17-24)30-11-13-32-14-12-30/h2-10,15-18H,11-14H2,1H3,(H,29,31)/f/h29H 2785.8925876752 -1350.0986956 1-A 27706.5080 112 418 530 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.56095 -20.53391 -15.60554 -15.56561 -15.56280 -11.36205 -11.28660 -11.27651 -11.27394 -11.27278 -11.27191 -11.26443 -11.26090 -11.25887 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1576.3666 1586.3482 1589.4224 1616.7916 1632.4356 1636.7263 1640.7276 1648.3167 1655.0262 1664.6125 1666.3508 1669.2002 1676.5216 1734.1376 1761.8784 1779.7790 1790.1799 1808.3563 1813.7060 1816.4700 1850.0003 1953.7454 3148.1499 3155.3751 3187.1021 3198.0831 3214.7551 3270.3192 3272.4054 3282.8361 3284.7414 3287.3531 3292.4341 3345.4279 3353.2436 3358.7276 3360.8961 3365.9259 3367.5952 3370.6426 3378.3033 3381.7624 3393.2247 3402.7302 3406.7340 3469.1654 3895.6166 6.1394 5.8454 3.8786 5.2663 4.1564 6.5457 4.5059 4.9334 4.3192 3.7850 1.7201 2.2804 3.9246 5.3137 4.8937 3.9225 4.3989 4.9435 2.8705 2.7440 4.3059 5.6135 3.6629 4.0351 3.8620 5.4582 3.8476 3.5944 2.1269 3.9690 3.6916 3.5712 3.3713 3.5043 2.8251 2.6705 7.8426 4.1819 1.2804 4.4587 5.2495 4.8893 5.4355 3.8593 4.6155 6.7832 3.7933 3.4110 4.7957 2.0919 3.3991 3.6874 3.6007 4.9783 3.5159 5.4641 1.4220 1.4216 4.2803 2.5866 2.2309 1.5542 1.5422 2.9509 1.8278 3.1136 1.9543 1.8657 1.4137 4.2913 1.6776 1.5200 2.5014 5.6516 1.3562 1.5591 1.3766 2.4836 1.7305 1.3887 2.0779 2.4993 1.7233 1.9597 2.0058 1.6800 1.7100 2.6719 3.9381 2.5679 2.0765 1.5142 3.4444 2.3544 1.7053 2.0270 3.1109 1.6956 1.8614 1.2184 1.7015 2.0163 1.9914 2.1644 1.8092 1.3379 1.5346 1.2715 1.4652 2.9550 1.6556 2.8135 1.2660 2.2810 1.3735 2.9477 1.4171 1.2644 2.5991 2.6914 1.6776 2.1285 1.0664 1.1011 1.0874 1.1027 1.1125 1.1103 2.5026 2.6009 2.9532 2.1177 5.5135 6.9939 4.3308 5.3518 5.0997 5.5149 6.1951 9.4270 1.0730 1.0735 1.0690 1.0696 1.0383 1.0932 1.0998 1.0978 1.0923 1.0960 1.1040 1.0917 1.0914 1.0888 1.0884 1.0906 1.0924 1.0887 1.0956 1.0970 1.0982 1.0935 1.0923 1.0937 1.0776 0.0002 0.0011 0.0013 0.0036 0.0038 0.0128 0.0107 0.0216 0.0209 0.0265 0.0150 0.0263 0.0525 0.1162 0.1210 0.1043 0.1359 0.1928 0.1196 0.1259 0.2325 0.3159 0.2502 0.2830 0.2850 0.4297 0.4116 0.3922 0.2438 0.4802 0.5280 0.5447 0.5347 0.5767 0.4701 0.4563 1.4008 0.8252 0.2602 0.9715 1.1623 1.1441 1.4525 1.1002 1.3296 2.0124 1.1427 1.1036 1.6442 0.7473 1.2910 1.4264 1.5225 2.1484 1.5466 2.4359 0.6685 0.6895 2.1016 1.3412 1.1748 0.8290 0.8420 1.6389 1.0241 1.8489 1.1662 1.1444 0.8759 2.7492 1.1243 1.0373 1.7243 3.9203 0.9501 1.1165 1.0030 1.8193 1.2683 1.0267 1.5621 1.9461 1.3911 1.5835 1.6938 1.4349 1.4793 2.3365 3.4853 2.2844 1.9365 1.4533 3.3662 2.3495 1.7161 2.0725 3.2340 1.7764 1.9711 1.3132 1.8463 2.2728 2.2577 2.4915 2.1092 1.5826 1.8728 1.5907 1.8584 3.8263 2.1648 3.7017 1.6869 3.0531 1.9293 4.2129 2.0399 1.8380 3.8052 3.9904 2.4970 3.2781 1.6743 1.7379 1.7247 1.7652 1.7954 1.8126 4.0943 4.2696 4.8906 3.7521 10.0839 13.0528 8.1773 10.3114 9.8839 10.7213 12.4923 21.2011 6.2654 6.2970 6.3975 6.4456 6.3224 6.8887 6.9391 6.9709 6.9436 6.9786 7.0510 7.1986 7.2302 7.2367 7.2434 7.2796 7.2994 7.2878 7.3670 7.3917 7.4499 7.4600 7.4693 7.7555 9.6354 0.1654 0.4487 0.5377 1.8202 0.1990 1.9954 0.1402 0.1189 1.4584 0.3813 0.2176 1.0267 0.8265 1.1271 2.9439 0.9906 5.5752 3.9191 5.5132 3.1913 0.7337 4.5240 4.2648 2.8450 2.2278 9.7216 2.0712 4.1995 0.7940 0.4780 6.6429 1.3788 3.4108 4.9902 1.8389 9.3504 2.4208 14.2186 54.9981 24.2437 11.6706 20.8899 6.1521 4.1992 2.6902 7.9527 3.2146 0.8137 12.4026 18.0889 2.2740 1.9577 37.8930 6.3309 7.0077 23.2172 48.7399 0.3815 3.9844 9.8834 10.3171 0.3435 43.9009 13.0482 11.6484 33.4054 18.7335 10.3084 11.4291 10.5956 16.1543 7.2731 33.7373 4.3598 0.8569 1.1153 0.2761 6.8692 3.4439 1.4316 2.1770 3.8061 1.5569 5.9190 7.1964 3.2422 8.7851 18.4685 0.7601 3.6910 6.6515 4.9602 115.6427 28.8953 76.6510 4.2415 17.4172 6.9214 15.4345 10.1218 66.2205 175.7237 48.8635 14.2898 299.5575 39.4365 54.5932 9.7670 75.3628 1.0416 4.9687 1.9328 0.4717 7.7125 34.2228 2.6933 48.5684 1.6313 6.8449 200.0977 11.4012 2.8106 7.4637 11.7226 3.3691 6.8073 22.1381 3.0979 345.6953 71.2842 7.8126 379.7980 13.6202 11.5179 31.0982 43.7519 380.1159 72.1306 35.4032 247.5418 20.4014 75.0252 25.7242 101.7332 30.3828 37.4429 22.0211 42.8705 77.5448 37.0433 29.2551 21.2497 17.1012 15.6341 7.7697 17.9776 11.3721 1.6954 28.5744 21.2475 51.2944 16.3337 1.2528 2.7443 23.6744 0.9178 6.1717 2.7262 2.3795 5.8739 2.4308 2.9012 4.4977 0.8947 3.3713 0.7853 2.5588 1.0808 2.8644 0.3326 1.9291 1.5063 2.5481 0.4515 1.3333 1.3711 2.1443 0.8969 1.0554 1.4393 1.6247 0.4661 3.9222 1.1665 5.1936 0.6411 0.6823 3.2560 1.2471 2.2338 0.6378 9.5933 1.6479 1.1111 0.8285 0.5087 2.2580 1.4998 3.1825 3.1942 2.4625 3.3677 2.7370 5.1964 0.7119 15.8594 0.9143 3.5544 34.9066 3.8306 8.8469 1.8598 2.9784 5.5385 1.0887 3.8480 2.2831 2.5869 11.1549 3.2921 3.2843 3.7303 0.3890 1.5870 1.0544 7.8334 1.0819 6.3918 56.5469 0.8865 0.6543 0.3361 1.9025 0.4501 1.5405 11.0190 15.0878 4.1544 6.6903 7.6830 0.2051 1.0054 12.9286 14.1538 9.8642 2.3219 3.1716 0.1309 5.0216 8.4027 3.0296 10.1899 15.2814 5.7322 15.3438 22.4051 3.4440 4.0216 10.6287 60.8796 2.0543 16.8120 8.4168 17.0901 131.9096 43.5259 117.9343 4.5562 183.3041 0.3352 17.1373 0.5580 9.4149 9.2119 6.6070 5.9695 120.2069 19.3082 13.7914 23.5680 4.3022 6.2017 8.7928 17.8026 8.9407 12.8131 55.7200 24.0134 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1448.00 1468.06 1475.46 1500.29 1534.49 1548.42 1556.30 1561.14 1568.88 1586.20 1600.00 1604.28 1604.72 1611.70 1625.21 1654.02 1684.09 1684.92 1722.50 1732.33 1743.42 1752.84 1763.39 1767.92 1810.16 1836.33 1853.03 1872.47 1880.36 1895.33 1911.13 1918.55 1928.85 1945.98 1952.58 1990.08 1995.79 2011.07 2023.88 2038.67 2070.70 2096.53 2110.99 2132.92 2143.36 2150.03 2163.71 2168.57 2221.54 2240.88 2248.95 2259.95 2268.04 2282.40 2286.82 2326.20 2348.71 2354.88 2360.64 2371.56 2381.21 2395.01 2397.51 2401.61 2412.14 2495.04 2534.95 2560.70 2575.67 2601.82 2609.52 2613.50 2661.74 2811.00 4529.49 4539.88 4585.53 4601.33 4625.32 4705.26 4708.26 4723.27 4726.01 4729.77 4737.08 4813.32 4824.57 4832.46 4835.58 4842.82 4845.22 4849.60 4860.62 4865.60 4882.09 4895.77 4901.53 4991.36 5604.92 0.503082 0.527923 0.528868 0.443614 -1349.595613 -1349.570772 -1349.569828 -1349.655082 2.859433D-04 MUNgauss RevisionA2.0 retrievium 11-Jan-2021 DUDE Cc3ccc(C(=O)Nc2cccc(N1CCOCC1)c2)cc3c5ccc4ccncc4c5 493821 CHEMBL497375 RHF 6-31G(d) (6D,10F) C1 423.194677 |X|Y|Z| 157.214423 46.635087 28.553563 59.377489 30 6 7 8 26 3 1 |36.858105| |12.595183|36.858105| |7.598958|13.724273|36.858105| |5.019740|7.869555|13.761473|36.858105| |4.412135|6.789644|7.940754|13.745439|36.858105| |3.274122|4.423836|5.007418|7.478285|12.680795|36.858105| |2.939537|3.813729|4.034348|5.324788|8.087201|15.886751|73.516695| |2.906758|3.753943|4.455170|6.540015|7.882285|13.971490|14.950652|53.358707| |2.392605|2.938705|3.365361|4.440492|5.030341|7.618521|11.591923|18.408688|36.858105| |2.158263|2.602875|2.872646|3.621331|4.214077|6.257087|11.684409|10.497303|13.676359|36.858105| |1.872411|2.197211|2.401463|2.907227|3.239225|4.313754|7.991614|7.002281|7.995506|13.792423|36.858105| |1.774240|2.056454|2.268276|2.709502|2.903879|3.665952|6.421928|6.189666|6.844730|7.861572|13.742228|36.858105| |1.896403|2.208604|2.486026|3.001878|3.129866|3.882306|6.396748|7.052105|7.854594|6.787290|7.947184|13.714499|36.858105| |1.759550|2.009956|2.258195|2.645885|2.673930|3.127608|5.128918|5.422573|5.153020|4.511749|5.121100|7.711868|13.444390|53.358707| |1.561421|1.758075|1.936420|2.218079|2.262840|2.610361|4.412364|4.288169|3.929138|3.744905|4.479050|6.609375|7.779295|17.851373|36.858105| |1.476265|1.639484|1.800937|2.022203|2.027491|2.263994|3.798935|3.645957|3.146059|2.939999|3.316897|4.349401|5.104568|10.713653|12.530181|36.858105| |1.470608|1.624347|1.800529|2.010403|1.976876|2.175569|3.617650|3.500901|2.955787|2.725295|3.002917|3.819987|4.539772|9.241003|7.913058|13.609940|73.516695| |1.623925|1.806129|2.036807|2.295487|2.218364|2.431851|3.958750|4.007367|3.354712|2.963511|3.160075|3.981795|5.112596|10.665639|6.779586|8.196895|24.211529|36.858105| |1.748086|1.979049|2.254608|2.614506|2.552521|2.892317|4.683461|4.948588|4.386583|3.800532|4.107028|5.475005|7.837991|17.767878|7.946713|6.791499|14.064312|12.534456|36.858105| |2.200883|2.630707|3.032999|3.831569|4.006964|5.168467|7.932404|10.900027|13.728883|7.922623|6.959693|7.968871|13.694637|10.771240|5.167445|3.997332|6.636853|4.408883|6.232082|36.858105| |4.998532|7.908448|6.936625|7.976701|13.710744|7.703325|12.011143|7.156927|3.878526|3.491125|2.791415|2.499230|2.627643|3.114700|1.992712|1.805309|3.112326|1.929692|2.173097|3.200175|36.858105| |7.471044|13.578083|7.942256|6.841594|7.858391|5.052349|8.079845|5.401665|3.095024|2.802163|2.332468|2.138794|2.258865|2.752623|1.780333|1.642257|2.855485|1.767332|1.951416|2.686630|13.737989|36.858105| |6.363687|7.514121|5.026826|4.449879|5.043001|3.850216|6.625207|4.264262|2.584383|2.418956|2.063833|1.894163|1.969133|2.423346|1.597637|1.482900|2.567662|1.567475|1.710597|2.276610|7.674970|12.722782|36.858105| |5.763391|5.860934|4.198498|3.691839|4.005300|3.216945|5.500474|3.740590|2.321158|2.166113|1.883476|1.754871|1.833104|2.289355|1.521966|1.428229|2.467096|1.498818|1.613119|2.096230|5.392883|7.513983|13.369670|36.858105| |4.357455|4.204077|3.252038|2.935723|3.170545|2.688312|4.717756|3.180227|2.030395|1.929732|1.705186|1.591358|1.645485|2.067895|1.391970|1.311480|2.262086|1.361770|1.456121|1.848702|4.043577|5.026923|7.842460|14.034343|36.858105| |3.743351|3.662376|2.911894|2.683291|2.933237|2.549187|4.595539|2.990814|1.932342|1.870879|1.659037|1.535357|1.568014|1.962460|1.328025|1.245996|2.149992|1.288373|1.382716|1.746541|3.717997|4.412872|6.755551|7.910262|13.421373|36.858105| |2.991389|2.888733|2.397239|2.237214|2.417069|2.164887|3.932742|2.589461|1.706662|1.668839|1.501580|1.395767|1.417075|1.785470|1.219865|1.149502|1.982824|1.180105|1.258908|1.557624|2.930228|3.322838|4.497282|5.109434|7.604683|13.437007|36.858105| |2.644769|2.583516|2.190683|2.071052|2.242018|2.043637|3.764971|2.445097|1.627379|1.610824|1.456469|1.348002|1.357159|1.707149|1.171070|1.100888|1.900694|1.127534|1.205273|1.481487|2.675452|2.950032|3.813362|3.970280|5.124283|7.966127|14.043181|36.858105| |2.686756|2.675523|2.276907|2.170677|2.371707|2.169741|4.049716|2.564503|1.704144|1.700006|1.529571|1.403685|1.405504|1.756133|1.201760|1.123163|1.941605|1.153374|1.241107|1.536305|2.842630|3.092881|3.955447|3.800842|4.514720|6.800829|7.966050|14.066165|53.358707| |3.141345|3.194661|2.659937|2.530075|2.804450|2.519138|4.715224|2.914687|1.907249|1.895153|1.681718|1.532748|1.538491|1.907768|1.295062|1.204153|2.082853|1.244173|1.347954|1.699347|3.471459|3.826551|5.108331|4.541045|5.131241|7.888374|7.019494|8.403200|20.082041|36.858105| |3.894058|3.977044|3.146427|2.932006|3.271509|2.828340|5.187007|3.235479|2.074354|2.024550|1.776703|1.624675|1.649261|2.043385|1.376513|1.281070|2.214123|1.330231|1.441418|1.845175|4.264168|5.012341|7.873555|6.866680|7.855038|13.589239|7.905016|6.994507|10.814671|13.401523|36.858105| |4.856991|5.376187|4.030180|3.729757|4.271356|3.499622|6.340246|3.863867|2.403721|2.316025|1.990691|1.808415|1.848162|2.267618|1.508462|1.395124|2.415612|1.464003|1.601250|2.104277|6.062847|7.649517|13.982319|7.947728|6.830525|7.801706|5.124274|4.600254|7.036667|7.656235|13.436721|36.858105| |17.551921|8.810375|6.044823|4.345493|3.937000|3.015894|4.839079|3.705735|2.270012|2.046971|1.791277|1.709469|1.831816|2.332055|1.528748|1.455133|2.567715|1.588727|1.693803|2.113715|4.480199|6.406841|6.024158|6.380168|4.783826|3.858518|3.093770|2.664975|3.582328|3.014137|3.779147|4.477337|0.500000| |17.581101|8.828784|5.780971|4.247607|3.948941|3.029735|4.987894|3.614464|2.221641|2.044424|1.782300|1.677426|1.770163|2.230590|1.466605|1.383959|2.447306|1.508612|1.624758|2.030531|4.631869|6.834743|6.804525|5.939787|4.709449|4.220733|3.331356|2.958528|4.133053|3.602738|4.501290|5.591231|0.302941|0.500000| |17.586313|8.870376|7.337017|4.792085|3.979857|3.037814|4.814806|3.778790|2.308105|2.072372|1.812200|1.732790|1.862416|2.372682|1.544040|1.468012|2.623254|1.637670|1.754950|2.153512|4.190163|5.561812|4.712531|4.350298|3.516559|3.115131|2.589238|2.335555|3.238017|2.728706|3.238685|3.890302|0.302353|0.301470|0.500000| |7.092419|8.938583|17.713405|8.960025|5.657268|4.079494|5.992067|5.251481|3.042577|2.603280|2.224626|2.137430|2.359058|2.974067|1.876866|1.766563|3.178034|2.034131|2.224510|2.836200|4.985055|5.645839|4.086780|3.599953|2.894238|2.604893|2.191698|2.013224|2.830704|2.387853|2.769426|3.403739|0.159810|0.148999|0.227169|0.500000| |4.113595|5.632917|8.967323|17.714867|8.869170|6.819392|8.665519|9.656451|4.869374|3.813179|3.078946|2.923508|3.320745|3.991873|2.404940|2.187772|3.915275|2.564746|2.964357|4.333414|5.647309|4.936441|3.556904|3.065078|2.522598|2.330405|1.986469|1.856654|2.644230|2.228739|2.522450|3.095972|0.101323|0.098573|0.114646|0.217999|0.500000| |3.077751|3.983495|4.962027|7.469830|7.672669|9.487682|10.911782|26.105484|9.368407|5.747959|4.313971|4.096773|4.940521|5.488790|3.135823|2.735086|4.729494|3.114817|3.786279|7.724687|5.064379|4.016854|3.119716|2.782811|2.344015|2.169865|1.875977|1.756861|2.485817|2.067590|2.316340|2.760950|0.080529|0.076393|0.082594|0.121144|0.244925|0.500000| |2.223093|2.697092|2.918020|3.658782|4.450727|6.814478|15.001719|9.495650|8.884812|17.838710|8.915131|5.619960|4.916663|4.901422|3.108645|2.528210|4.204119|2.547331|3.148820|5.641730|3.786761|2.976416|2.586971|2.278598|2.033665|1.995037|1.773909|1.722525|2.499041|2.061920|2.189893|2.519077|0.058195|0.059135|0.058747|0.072425|0.103447|0.142986|0.500000| |1.747197|2.028075|2.181172|2.587142|2.891172|3.740187|7.225636|5.659935|5.677891|8.988893|17.710760|8.952998|5.657071|5.646157|3.893347|2.971424|4.793763|2.767672|3.455400|4.996324|2.567050|2.166947|1.951502|1.782910|1.632031|1.604092|1.463021|1.430035|2.051271|1.648791|1.721994|1.909913|0.046455|0.046647|0.046898|0.056235|0.074946|0.098463|0.216221|0.500000| |1.613196|1.843041|2.013137|2.352956|2.497031|3.047201|5.405231|4.927860|4.940947|5.630091|8.941626|17.758927|8.868674|9.486667|7.335014|4.643245|7.083933|3.914509|5.125553|5.646815|2.195746|1.910717|1.715941|1.601958|1.466738|1.420624|1.302195|1.262315|1.785752|1.422228|1.497117|1.648725|0.043334|0.042578|0.043886|0.053142|0.070024|0.092742|0.124200|0.217065|0.500000| |1.486160|1.666863|1.830803|2.089333|2.132882|2.462066|4.220028|3.975990|3.636263|3.616018|4.479651|6.579797|6.684336|12.225575|17.449234|8.916080|12.562518|5.880849|7.037295|4.535072|1.886566|1.688917|1.522059|1.443464|1.325924|1.274020|1.174191|1.133425|1.589030|1.256291|1.326134|1.449718|0.040239|0.039004|0.040906|0.049386|0.062890|0.079606|0.084374|0.111948|0.230039|0.500000| |1.551523|1.749885|1.906164|2.181783|2.265812|2.635858|4.517300|4.274399|3.936347|3.857422|4.699415|6.798224|7.228812|12.476781|17.584034|8.890586|10.163706|5.045433|5.714829|4.971461|2.016906|1.792851|1.619765|1.548141|1.420113|1.355335|1.246658|1.196251|1.668335|1.318914|1.401840|1.531092|0.042357|0.040579|0.042309|0.050869|0.064716|0.085599|0.089292|0.114928|0.213701|0.300353|0.500000| |1.365849|1.506101|1.638331|1.822326|1.836163|2.040126|3.468615|3.216051|2.744865|2.636556|3.000163|3.819192|4.167140|7.707832|8.847184|17.604720|16.917057|5.889372|5.051072|3.337475|1.655781|1.513889|1.380322|1.333703|1.233393|1.176441|1.091461|1.048398|1.454537|1.140514|1.207428|1.306134|0.037462|0.035757|0.037691|0.044642|0.054240|0.066379|0.064070|0.076834|0.117446|0.217912|0.210561|0.500000| |1.521365|1.688814|1.851924|2.072164|2.075252|2.297057|3.824138|3.700484|3.134009|2.867032|3.141255|3.988075|4.809347|9.602512|8.875249|17.504581|16.542658|7.287688|5.911524|3.989677|1.853129|1.690453|1.526554|1.480707|1.357332|1.281178|1.180405|1.124959|1.555325|1.224679|1.309903|1.425976|0.041915|0.039446|0.041939|0.050428|0.061971|0.078171|0.068837|0.077729|0.113343|0.174269|0.216967|0.300090|0.500000| |1.583361|1.745965|1.973797|2.199216|2.096581|2.262706|3.685920|3.668628|2.993440|2.668105|2.808654|3.411174|4.179319|7.685754|5.051435|5.887936|16.916344|17.602447|8.847258|3.766503|1.829720|1.692587|1.503259|1.436671|1.307772|1.239744|1.137718|1.089008|1.517216|1.200959|1.280779|1.407613|0.042921|0.040911|0.044699|0.055383|0.068546|0.079418|0.064816|0.069409|0.093519|0.132051|0.110526|0.132317|0.147627|0.500000| |1.692390|1.881358|2.124545|2.384005|2.289986|2.478994|3.990664|4.094327|3.344676|2.885401|2.996665|3.680393|4.804206|9.532897|5.880690|7.278118|16.554244|17.496713|8.880799|4.410166|1.993549|1.833539|1.622837|1.562740|1.415210|1.328845|1.214550|1.154182|1.599881|1.268140|1.364324|1.502424|0.046295|0.043390|0.047381|0.059043|0.073797|0.090339|0.069269|0.072653|0.098170|0.134549|0.131805|0.147675|0.217392|0.300058|0.500000| |1.916564|2.188343|2.544927|2.991745|2.855117|3.209917|5.057861|5.644451|4.849162|3.959690|4.024494|5.010170|7.296303|12.410684|5.712849|5.056432|10.171029|8.902602|17.607447|7.015692|2.378463|2.132560|1.841385|1.726295|1.544310|1.460600|1.321160|1.261161|1.769993|1.419975|1.526936|1.711510|0.051306|0.049109|0.053720|0.070133|0.096910|0.123975|0.091369|0.092942|0.123412|0.142866|0.127573|0.110614|0.132551|0.210551|0.217583|0.500000| |1.659116|1.869410|2.118140|2.443261|2.395445|2.721623|4.487888|4.544908|4.038820|3.689314|4.110426|5.442345|6.780922|12.272360|7.054344|5.866620|12.474946|8.872067|17.444961|5.293686|2.053700|1.847421|1.628794|1.528487|1.386945|1.327465|1.213003|1.168159|1.643930|1.309966|1.390309|1.540260|0.044427|0.043163|0.046352|0.058123|0.076635|0.094137|0.085877|0.098381|0.148662|0.207331|0.143283|0.131479|0.134683|0.216978|0.173887|0.301381|0.500000| |2.311912|2.758396|3.245224|4.082056|4.056801|4.854779|7.146461|10.070754|8.911414|5.636649|4.996224|5.669004|8.955540|10.012800|4.786505|4.001856|6.837177|4.783750|6.447869|17.700278|3.212094|2.751033|2.307918|2.145563|1.878808|1.754535|1.560415|1.473821|2.067513|1.679028|1.838503|2.100002|0.062002|0.058455|0.063313|0.085493|0.131746|0.238013|0.123981|0.108249|0.124225|0.114012|0.124936|0.091439|0.114843|0.113441|0.140478|0.222230|0.142299|0.500000| |4.071129|5.631871|4.987730|5.678004|8.971255|7.254524|13.410813|6.662104|3.806673|3.586464|2.867063|2.518628|2.588865|3.043731|1.972515|1.775330|3.030131|1.855989|2.091544|3.095068|17.751108|8.929755|7.145091|5.183104|4.090938|3.889246|3.076818|2.834545|4.137776|3.737618|4.541948|6.303755|0.104893|0.109323|0.096208|0.108117|0.124332|0.124818|0.111488|0.074297|0.061664|0.052026|0.056077|0.045500|0.050532|0.048645|0.053021|0.062664|0.055170|0.084207|0.500000| |6.006769|6.061802|4.436545|3.840592|4.039762|3.219943|5.355857|3.836497|2.369950|2.173729|1.894324|1.784594|1.887102|2.373621|1.572060|1.483778|2.563792|1.563677|1.673512|2.169517|5.165690|7.002798|8.825991|17.716275|9.037242|5.629136|4.134283|3.303099|4.274694|3.614638|4.948828|5.666283|0.204263|0.155878|0.126905|0.106653|0.088824|0.080953|0.062594|0.049412|0.045186|0.041152|0.044375|0.038364|0.043005|0.041577|0.045643|0.049901|0.043718|0.062527|0.132606|0.500000| |3.831870|3.616916|2.903634|2.632478|2.795952|2.415640|4.218930|2.921770|1.888689|1.792753|1.601112|1.507518|1.562386|1.980925|1.340743|1.271991|2.192335|1.315340|1.394978|1.742794|3.419451|4.096330|5.593487|9.003304|17.712423|8.818723|6.929434|4.655282|5.332653|4.166746|5.605796|4.929604|0.120917|0.111851|0.088702|0.073332|0.063942|0.060235|0.052009|0.042592|0.038785|0.035413|0.038042|0.033313|0.036695|0.035100|0.038094|0.040947|0.036840|0.049414|0.095652|0.217414|0.500000| |2.786717|2.658748|2.234530|2.083054|2.226403|2.005368|3.614634|2.433110|1.613383|1.572285|1.424462|1.333768|1.358022|1.722409|1.181010|1.118908|1.929043|1.145542|1.214533|1.486719|2.648961|2.986856|3.887751|4.632873|6.888458|8.782997|17.722868|9.000034|7.725174|5.029362|5.614679|4.139432|0.081842|0.084577|0.067742|0.057338|0.051785|0.049272|0.046061|0.038518|0.034675|0.031522|0.033554|0.029562|0.032006|0.030683|0.032838|0.035326|0.032444|0.041538|0.076546|0.109825|0.205616|0.500000| |2.323774|2.260736|1.952288|1.854686|1.992394|1.838822|3.387023|2.226782|1.497266|1.487326|1.356818|1.260886|1.266505|1.600705|1.104137|1.041313|1.798040|1.062464|1.131080|1.372398|2.328136|2.531259|3.145172|3.296048|4.127800|5.638776|8.990810|17.727108|12.599022|5.932071|5.016939|3.653516|0.065313|0.071367|0.057934|0.050350|0.046688|0.044490|0.044008|0.037139|0.032964|0.029738|0.031344|0.027638|0.029540|0.028540|0.030181|0.032756|0.030506|0.037907|0.068239|0.078905|0.109744|0.215581|0.500000| |3.025868|3.141034|2.667170|2.572063|2.865483|2.603143|4.940634|2.989634|1.960678|1.966107|1.740130|1.574458|1.571044|1.938082|1.314133|1.216170|2.107167|1.259338|1.371911|1.733707|3.499697|3.743037|4.679909|3.943847|4.159727|5.618099|5.024175|5.884192|12.821561|17.671736|8.820203|7.017729|0.078781|0.095991|0.074103|0.066466|0.063230|0.058381|0.059968|0.047590|0.040556|0.035563|0.037104|0.031992|0.034202|0.033807|0.035488|0.040165|0.037212|0.047282|0.105043|0.089852|0.095957|0.108766|0.129839|0.500000| 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