Version2.1 2021-01-12T23:29:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 07-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(=O)n2c(n1)NC(=[NH+][C@@H]2c3ccccc3OC)NCCc4c[nH]c5c4cccc5 C08991480 RHF 6-31G(d) (6D,7F) Cc1cc(=O)n2c(n1)NC(=[NH+][C@@H]2c3ccccc3OC)NCCc4c[nH]c5c4cccc5 C01[X(C24H25N6O2)] 165 C1 530 COc1ccccc1[C@H]1[NH+]=C(NCCc2c[nH]c3c2cccc3)Nc2n1c(=O)cc(n2)C COc1ccccc1[C@H]1[NH+]=C(NCCc2c[nH]c3c2cccc3)Nc2n1c(=O)cc(n2)C COc1ccccc1[C@H]2[NH+]=C(NCCc3c[nH]c4ccccc34)NC5=NC(=CC(=O)N25)C InChIKey=DGBPADAJFBBHBH-QFIPXVFZSA-O InChI=1S/C24H24N6O2/c1-15-13-21(31)30-22(18-8-4-6-10-20(18)32-2)28-23(29-24(30)27-15)25-12-11-16-14-26-19-9-5-3-7-17(16)19/h3-10,13-14,22,26H,11-12H2,1-2H3,(H2,25,27,28,29)/p+1/t22-/m0/s1 InChI=1/C24H24N6O2/c1-15-13-21(31)30-22(18-8-4-6-10-20(18)32-2)28-23(29-24(30)27-15)25-12-11-16-14-26-19-9-5-3-7-17(16)19/h3-10,13-14,22,26H,11-12H2,1-2H3,(H2,25,27,28,29)/p+1/t22-/m0/s1/fC24H25N6O2/h25,28-29H/q+1 Cc1cc(=O)n2c(n1)NC(=[NH+][C@@H]2c3ccccc3OC)NCCc4c[nH]c5c4cccc5 C01[X(C24H25N6O2)] 165 C01 530 COc1ccccc1[C@H]1[NH+]=C(NCCc2c[nH]c3c2cccc3)Nc2n1c(=O)cc(n2)C CO[C]1[CH][CH][CH][CH][C]1[C@H]1[NH][C]([NH]CC[C]2=CN[C]3[C]2[CH][CH][CH][CH]3)NC2=NC(=[CH][C](=O)N12)C CO[C]1[CH][CH][CH][CH][C]1[C@H]2N[C](NCCC3=CN[C]4[CH][CH][CH][CH][C]34)NC5=NC(=CC(=O)N25)C InChIKey=NUECGPZQJRYBME-QFIPXVFZSA-N InChI=1S/C24H25N6O2/c1-15-13-21(31)30-22(18-8-4-6-10-20(18)32-2)28-23(29-24(30)27-15)25-12-11-16-14-26-19-9-5-3-7-17(16)19/h3-10,13-14,22,26H,11-12H2,1-2H3,(H3,25,27,28,29)/t22-/m0/s1 InChI=1/C24H25N6O2/c1-15-13-21(31)30-22(18-8-4-6-10-20(18)32-2)28-23(29-24(30)27-15)25-12-11-16-14-26-19-9-5-3-7-17(16)19/h3-10,13-14,22,26H,11-12H2,1-2H3,(H3,25,27,28,29)/t22-/m0/s1/f/h25,28-29H 3062.4167954709 -1399.6742834 1-A 19168.4511 113 417 530 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1603.5048 1615.1736 1620.0520 1625.5912 1625.8923 1637.2386 1638.1008 1646.5056 1658.0925 1660.4243 1664.9649 1665.5496 1675.8999 1745.3967 1764.4940 1777.8232 1782.4845 1791.2018 1811.6638 1824.6507 1848.3889 1873.4572 1990.8535 3198.5020 3222.6122 3234.2828 3241.2049 3244.5314 3284.3778 3300.9692 3313.1062 3321.7257 3346.1011 3346.5810 3367.9435 3370.2690 3379.1654 3379.6145 3388.9897 3393.5939 3403.7553 3414.4234 3430.0536 3433.9495 3837.5535 3849.1811 3854.2892 3912.9293 5.0197 5.6945 4.6994 5.2017 4.6412 5.0874 5.1930 3.5699 4.7721 3.7127 4.3561 3.5990 1.2236 3.2784 3.6643 5.2993 2.9922 1.8699 3.8074 3.6380 3.7473 2.7583 2.9366 3.2178 4.0576 4.2974 4.8175 4.5695 4.0970 1.5428 2.7698 2.7814 1.5386 3.7977 3.4850 4.8464 4.5981 4.7224 5.4457 4.8445 3.4469 2.6391 3.6862 3.3885 3.6016 2.7402 2.5532 3.4093 3.5830 1.6373 4.1580 5.4903 4.7688 4.4906 5.3275 4.6507 4.6160 1.3175 4.1147 3.7558 1.4723 3.5104 1.5133 3.5814 4.7679 1.5299 4.4924 1.5307 1.4272 1.5643 4.9221 1.3416 2.9663 1.6487 3.0385 1.3845 2.0994 1.3488 2.1632 1.6501 4.1376 3.0277 3.5853 1.6066 2.5099 3.4633 1.6298 3.3341 2.5811 2.4153 1.5197 1.5418 3.2502 1.2679 2.0249 1.4702 1.2669 1.7438 1.8017 2.4531 1.6560 2.9385 2.1984 2.9890 1.6720 1.7255 1.7338 1.9176 1.2326 1.7078 1.8495 1.8938 1.4905 1.4099 1.5184 1.7986 2.2282 2.3415 1.0447 1.1591 1.8481 1.7472 1.6837 1.1187 1.0550 1.2958 1.4514 2.6237 1.1916 2.1112 5.4344 3.6461 4.3345 5.5012 5.8145 5.7256 5.5443 4.5284 6.3401 11.4737 1.0622 1.0375 1.0317 1.1008 1.0611 1.1020 1.1117 1.1085 1.1040 1.1066 1.0893 1.0893 1.0885 1.0948 1.0882 1.0921 1.0979 1.0965 1.0954 1.0951 1.0989 1.0788 1.0787 1.0808 1.0817 0.0005 0.0008 0.0025 0.0039 0.0046 0.0070 0.0127 0.0162 0.0275 0.0230 0.0481 0.0452 0.0166 0.0559 0.0735 0.1125 0.0786 0.0591 0.1252 0.1277 0.1426 0.1094 0.1366 0.1602 0.2390 0.2877 0.3755 0.3957 0.3984 0.1863 0.3685 0.3778 0.2111 0.5497 0.5187 0.7742 0.8016 0.9414 1.1249 1.0112 0.7543 0.6028 0.8703 0.8137 0.8685 0.6903 0.6559 0.9330 1.0324 0.4824 1.3494 1.9270 1.7738 1.7002 2.0693 1.8430 1.8774 0.5527 1.7655 1.6161 0.6420 1.5691 0.6874 1.7893 2.5207 0.8134 2.4116 0.8333 0.7837 0.9010 3.1178 0.8960 2.0285 1.1423 2.2038 1.0072 1.5308 1.0133 1.6308 1.2562 3.1668 2.3807 2.8312 1.3060 2.0867 2.9533 1.3944 2.9052 2.2761 2.1858 1.3846 1.4203 3.0587 1.2445 2.0340 1.5173 1.3254 1.8466 1.9181 2.6352 1.8540 3.3522 2.5098 3.4792 1.9884 2.0988 2.1209 2.3658 1.5278 2.2199 2.4714 2.5334 2.0151 2.0145 2.1821 2.6428 3.2964 3.5471 1.6058 1.7924 2.8774 2.7213 2.6591 1.7687 1.6851 2.0989 2.3577 4.2852 1.9476 3.4936 9.7541 6.6884 8.0718 10.2982 10.9914 11.0719 10.8757 9.1155 13.1109 26.7938 6.4026 6.3483 6.3584 6.8133 6.5815 7.0039 7.1372 7.1692 7.1771 7.2997 7.1876 7.2798 7.2847 7.3655 7.3234 7.3903 7.4497 7.4847 7.5239 7.5912 7.6346 9.3608 9.4167 9.4595 9.7582 0.8482 0.6121 0.2878 0.5201 0.3803 1.3352 0.7922 6.4121 2.4129 1.7296 6.6994 2.5994 0.1231 1.1876 2.4377 1.5853 1.4921 0.2840 4.4231 6.7215 0.7908 0.4606 0.6988 3.8733 2.8003 6.1419 6.7861 12.9608 12.5160 98.9532 0.1926 6.0368 25.6074 8.1060 2.2119 3.6694 4.5554 6.9545 3.3919 2.3561 21.6432 2.7447 3.5821 12.3469 7.6661 36.2827 8.8478 16.0353 2.7997 201.8685 28.9448 13.3432 4.6076 6.1013 35.3461 3.1473 3.8239 79.3255 20.4405 23.5049 68.7077 24.1697 0.2667 3.3251 38.9015 52.0657 2.9949 14.3790 1.5254 6.4430 24.4740 1.0575 36.5590 7.1515 1.6639 0.5181 1.7332 1.8281 6.6990 20.8054 53.5819 38.3515 32.4478 4.5084 4.6649 55.4104 41.6679 67.8879 6.9439 26.1043 8.5515 7.6421 16.7007 3.2011 8.7529 9.5122 4.7493 58.0289 14.0703 34.9385 9.8738 79.4233 13.1972 194.3614 17.9224 72.3959 6.4597 27.3828 6.1395 12.0318 12.1639 87.6449 72.2808 42.7157 87.7003 180.1799 51.3399 106.1047 8.9123 25.2716 47.2776 89.3762 16.0543 5.9920 14.9848 49.3614 35.5987 8.0010 39.9587 117.9708 51.6053 213.1420 83.6911 6.2144 51.5841 94.9641 13.4213 1424.4444 786.8121 788.4116 28.0099 7.2940 42.0188 14.1887 11.6072 8.6553 16.6205 26.9762 13.9434 21.7969 20.1359 0.7004 2.1119 26.7188 0.5237 10.2162 19.7173 11.9334 4.3986 0.9216 1.8106 91.6106 202.6035 89.6733 132.2669 5.9664 0.2016 6.0238 2.8800 3.5429 3.4268 2.4649 0.9601 5.2718 0.3150 1.0134 3.7458 0.0484 0.5621 1.2308 1.4394 0.4406 0.9534 1.5538 1.2324 0.6682 0.5783 0.8766 1.3380 1.2202 1.0440 1.8496 1.5877 1.9898 2.0289 0.6323 1.3490 1.2327 0.8022 1.4927 2.9511 1.8902 1.0856 4.6117 3.3504 4.2999 3.5994 2.0235 2.2051 3.0629 1.4471 0.8402 6.8444 5.3610 1.7910 3.2062 0.7264 12.1873 2.1930 3.5451 13.1858 2.0840 1.0929 7.6264 3.9267 0.7350 8.3653 2.4911 4.7104 2.1823 1.7183 5.0337 0.1616 2.6357 2.2473 2.2421 0.0527 0.7678 0.8831 2.0295 2.5920 15.7785 0.3463 3.4266 7.7901 8.4199 16.7892 12.9239 1.5977 6.6252 3.2395 0.8577 9.1251 9.8430 3.2671 13.4458 6.3488 2.7611 4.0321 1.8784 9.6566 15.3077 3.8301 9.3353 6.7848 7.6602 3.4285 32.8695 9.2520 14.4261 5.8447 10.6359 11.2851 15.1891 8.3947 28.2823 1.9039 7.4373 8.4744 13.0558 12.1358 47.4813 13.6607 18.5697 25.9932 8.1766 4.6709 3.1467 18.7824 17.3412 18.7564 3.2308 2.6582 5.4830 8.5960 67.5730 47.3445 64.7417 32.7173 7.3419 32.9405 16.3642 14.0068 20.3345 28.5227 80.4409 160.1235 102.4285 55.8472 52.0184 86.1984 12.8835 49.3083 72.8248 86.6182 57.2121 82.8991 44.2058 70.8209 50.3839 66.1140 252.7464 100.0742 168.5160 109.5182 85.0194 10.8761 22.3911 82.8082 116.5091 0.7486 0.7348 0.7451 0.7104 0.7449 0.7397 0.7296 0.7361 0.7473 0.5222 0.6363 0.7425 0.7494 0.2080 0.7248 0.3290 0.7104 0.7470 0.2029 0.7382 0.5612 0.4876 0.4107 0.7475 0.2512 0.4339 0.4864 0.5780 0.5675 0.5725 0.7456 0.5348 0.7285 0.5865 0.5401 0.2137 0.2512 0.7242 0.3429 0.7219 0.3891 0.4680 0.7129 0.3813 0.7173 0.7365 0.3323 0.2373 0.6977 0.5178 0.5348 0.5928 0.0854 0.6428 0.7365 0.0692 0.6301 0.7492 0.4470 0.3090 0.3980 0.0475 0.7432 0.0812 0.3748 0.7132 0.1662 0.6439 0.7489 0.6190 0.7251 0.4860 0.6756 0.7280 0.5738 0.2014 0.1722 0.6764 0.3840 0.2818 0.2948 0.0760 0.3310 0.7500 0.2267 0.2671 0.7256 0.3775 0.3548 0.3470 0.3187 0.7005 0.4709 0.7498 0.3748 0.2706 0.1569 0.3678 0.3351 0.3352 0.6916 0.4078 0.1507 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1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 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 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 8778.6174 28003.6169 33135.3674 0.99998 -0.00676 0.00108 0.00675 0.99988 0.01367 -0.00117 -0.01366 0.99991 1 0.00987 0.00309 0.00261 0.20558 0.06445 0.05447 18.67 21.60 43.60 51.64 59.23 69.39 92.60 126.39 142.18 147.68 196.97 210.01 218.24 244.69 265.54 273.14 303.71 333.35 339.89 351.14 365.68 373.36 404.28 418.27 454.95 484.95 523.32 551.62 584.50 651.30 683.69 690.84 694.27 713.13 723.14 749.19 782.65 836.90 851.92 856.35 876.87 895.82 910.79 918.53 920.48 940.83 950.02 980.57 1006.17 1017.39 1067.80 1110.48 1143.18 1153.36 1168.21 1179.98 1195.42 1214.01 1227.82 1229.57 1237.80 1253.21 1263.33 1324.89 1362.89 1366.77 1373.35 1382.98 1388.98 1422.53 1491.83 1531.86 1550.05 1560.19 1596.35 1598.77 1600.56 1624.64 1627.47 1635.41 1639.85 1662.13 1665.69 1689.97 1709.11 1730.93 1733.80 1749.72 1760.22 1783.15 1789.18 1799.05 1818.35 1857.03 1878.64 1904.20 1917.22 1928.85 1934.04 1942.72 1983.34 2002.03 2002.80 2022.31 2044.09 2067.25 2073.11 2081.97 2086.79 2137.02 2166.73 2167.99 2179.46 2240.61 2247.03 2272.14 2279.90 2307.09 2323.87 2330.89 2338.86 2339.30 2355.62 2356.86 2368.95 2385.63 2388.98 2395.51 2396.35 2411.25 2511.24 2538.71 2557.89 2564.60 2577.14 2606.58 2625.27 2659.42 2695.49 2864.39 4601.93 4636.62 4653.41 4663.37 4668.16 4725.49 4749.36 4766.82 4779.22 4814.29 4814.98 4845.72 4849.07 4861.87 4862.51 4876.00 4882.62 4897.24 4912.59 4935.08 4940.69 5521.38 5538.11 5545.46 5629.83 0.503563 0.529640 0.530584 0.443890 -1399.170720 -1399.144644 -1399.143700 -1399.230393 2.907697D-04 MUNgauss RevisionA2.0 retrievium 12-Jan-2021 DUDE Cc1cc(=O)n2c(n1)NC(=[NH+][C@@H]2c3ccccc3OC)NCCc4c[nH]c5c4cccc5 C08991480 RHF 6-31G(d) (6D,10F) C1 429.203899 |X|Y|Z| 63.050887 118.439298 34.134702 63.405614 28 6 7 22 6 |36.858105| |12.722037|36.858105| |7.606729|14.177383|36.858105| |4.969702|7.842770|13.169724|36.858105| |3.911443|5.363424|8.030966|15.979992|73.516695| |4.542820|7.052404|7.963679|13.420166|15.026985|53.358707| |5.316727|8.434527|7.133685|7.941943|9.763827|19.224899|36.858105| |7.858486|13.746961|7.977719|6.743178|8.438493|11.101014|15.070968|53.358707| |4.056756|5.377751|4.684566|5.224746|7.397017|11.144276|13.637912|11.398591|53.358707| |3.223603|4.100010|3.879134|4.598060|7.028295|9.458825|7.919556|7.410968|19.344352|36.858105| |3.056822|3.956224|4.045197|5.257413|8.452802|11.011122|7.024259|6.556023|11.430659|14.440459|53.358707| |2.639976|3.292027|3.406259|4.326111|7.388379|7.986828|5.134699|5.235512|8.159936|9.487597|25.968870|0.500000| |3.378188|4.590356|5.103125|7.738672|12.579053|17.848470|7.777463|7.114777|9.498651|7.824979|17.650497|0.253552|36.858105| |3.116032|4.121672|4.824791|7.500573|14.485724|12.694476|5.885600|5.972118|7.105515|5.880254|12.621279|0.225902|17.725663|0.500000| |3.008759|3.881768|4.252301|5.806499|10.125490|10.380820|5.716720|5.845971|7.438984|5.903423|10.508337|0.189364|12.541787|0.247622|36.858105| |3.208972|4.082559|4.387350|5.508036|9.200884|8.955518|5.483578|6.019509|6.833753|4.820952|7.306071|0.130933|7.440480|0.161756|13.784513|36.858105| |2.705718|3.239250|3.430313|4.021347|7.035117|6.055654|3.965142|4.663194|5.184347|3.746878|5.508591|0.105168|4.976054|0.119293|7.909559|13.723449|36.858105| |2.297171|2.702285|2.871922|3.386590|6.149709|5.078790|3.311755|3.891892|4.490475|3.432317|5.175719|0.104509|4.440811|0.111862|6.870349|7.972131|13.809136|36.858105| |2.214860|2.634238|2.825156|3.442185|6.387467|5.283476|3.350315|3.832575|4.636256|3.755312|5.998771|0.127735|5.046837|0.130981|7.893314|6.871182|7.912238|13.709581|36.858105| |2.467045|3.031749|3.291658|4.240648|7.867053|6.889539|4.124452|4.486042|5.702003|4.832535|8.557745|0.184210|7.655138|0.194343|13.617584|7.944382|6.867281|7.962880|13.791157|36.858105| |2.298455|2.800322|3.036050|3.897077|7.345602|6.294232|3.800606|4.148843|5.379109|4.864277|9.256167|0.235284|7.124754|0.206535|8.176763|5.290762|4.613998|5.198235|7.872410|14.033053|73.516695| |1.974534|2.335313|2.526011|3.112498|5.976051|4.733554|2.968672|3.388427|4.179885|3.650847|6.301106|0.155776|4.712494|0.141455|5.256453|3.987177|3.784074|4.494223|6.664890|7.950391|23.944889|36.858105| |2.746899|3.293363|3.088513|3.496088|5.547417|6.397987|5.306529|5.718781|11.257952|14.504964|11.234144|0.209120|5.236530|0.121432|4.473012|3.820387|3.198886|3.040383|3.333906|4.052578|7.502021|3.374128|53.358707| |2.671918|3.063824|2.772705|2.972425|4.689946|5.145975|4.503857|5.335892|9.066716|7.666740|7.019303|0.132158|3.878416|0.092783|3.475763|3.188082|2.766928|2.607216|2.753020|3.165483|5.695201|2.696431|17.580974|36.858105| |2.207352|2.465179|2.283021|2.441936|3.970638|4.039484|3.333272|4.065548|5.965211|5.108915|5.466460|0.110864|3.124931|0.077912|2.887084|2.646880|2.384401|2.317975|2.471486|2.766218|5.102586|2.522602|10.543149|12.446431|36.858105| |2.082084|2.254436|2.062412|2.146491|3.489670|3.445501|2.869290|3.661369|4.890361|3.839484|4.256191|0.085097|2.579711|0.065097|2.415989|2.283815|2.091820|2.020862|2.108445|2.304955|4.181888|2.108457|6.837852|7.614232|12.707028|36.858105| |1.914614|2.044533|1.875596|1.938603|3.172471|3.064347|2.526524|3.267259|4.187586|3.214174|3.664764|0.073578|2.294025|0.058034|2.211168|2.131592|1.995245|1.936191|1.993437|2.129257|3.808242|1.946030|5.423989|5.453664|7.468734|14.083139|36.858105| |1.823903|1.909327|1.744147|1.775327|2.908294|2.754538|2.271067|3.007266|3.649557|2.726079|3.166337|0.063206|2.027350|0.051813|1.946958|1.895316|1.780680|1.720370|1.757088|1.866917|3.332183|1.716866|4.394903|4.222412|5.171894|8.545216|13.961470|53.358707| |1.705071|1.770238|1.622931|1.645656|2.708677|2.527164|2.067084|2.754755|3.264992|2.422825|2.858980|0.057207|1.859144|0.047707|1.805035|1.772025|1.682972|1.630281|1.654502|1.738972|3.088464|1.603987|3.820265|3.523020|4.152392|5.990693|9.072141|26.103262|0.500000| |1.900298|1.979768|1.798681|1.818840|2.967783|2.812867|2.334569|3.119943|3.729231|2.765576|3.205634|0.063586|2.045186|0.052572|1.923173|1.859184|1.724785|1.657256|1.700318|1.828465|3.289635|1.689286|4.427983|4.277126|5.092330|8.346017|8.545509|18.904438|0.250702|36.858105| |2.074024|2.202573|1.999625|2.043987|3.316787|3.217641|2.691905|3.534911|4.425167|3.350883|3.793012|0.075078|2.350261|0.060137|2.166358|2.059397|1.880171|1.804176|1.872637|2.049030|3.725568|1.890601|5.585939|5.737069|7.229156|13.164059|8.496934|11.599257|0.165606|13.621506|36.858105| |2.151923|2.277491|2.066226|2.099212|3.401209|3.275075|2.737240|3.629295|4.400463|3.309101|3.799599|0.074795|2.359829|0.061129|2.122853|2.001713|1.807866|1.728836|1.802865|1.994254|3.661936|1.857313|5.331568|5.099535|5.720699|7.259379|5.249798|7.296060|0.118681|7.894496|13.598535|36.858105| |2.026792|2.094995|1.901061|1.901501|3.095918|2.897073|2.400596|3.259472|3.713336|2.729477|3.223339|0.063433|2.063084|0.054025|1.868824|1.781851|1.622332|1.550005|1.604332|1.757608|3.212036|1.646656|4.199777|3.784155|4.068273|5.007053|4.174035|6.325631|0.109389|6.934068|7.967903|13.871058|36.858105| |1.863657|1.900598|1.725974|1.716428|2.806667|2.591676|2.137369|2.926061|3.274176|2.385222|2.840053|0.056055|1.848083|0.048349|1.706940|1.648569|1.520602|1.455071|1.493093|1.613423|2.921366|1.509180|3.637682|3.262002|3.541751|4.546983|4.188720|7.024796|0.126288|8.050685|6.866537|7.882564|13.558534|36.858105| |1.808897|1.852128|1.683003|1.681873|2.752671|2.555505|2.108656|2.867466|3.270567|2.390295|2.827107|0.055975|1.837792|0.047725|1.723810|1.675052|1.558059|1.494570|1.527311|1.636880|2.944398|1.522622|3.695694|3.387162|3.793309|5.258904|5.297175|10.335807|0.184908|13.661314|7.789940|6.747117|7.865184|13.868113|36.858105| |17.566938|8.970172|5.952730|4.293805|6.160340|5.574179|4.902595|9.648390|5.365943|3.160215|4.010558|0.071126|3.132387|0.080914|2.744777|2.849308|2.425090|2.101059|2.053360|2.292469|3.869456|1.882288|3.739340|2.726188|2.259071|2.154617|1.966762|2.573787|0.048933|1.998363|2.185967|2.305162|2.192111|2.002417|1.919476|0.500000| |17.564767|8.968212|5.939543|4.296176|6.160704|5.602851|4.916314|9.636129|5.362631|3.107611|3.939359|0.069831|3.166130|0.079841|2.927576|3.217162|2.762560|2.320815|2.199418|2.409976|3.938139|1.908933|3.657416|2.662117|2.200004|2.096642|1.952360|2.537122|0.048638|1.924625|2.077504|2.122551|2.000659|1.863325|1.828792|0.302569|0.500000| |17.622034|8.881428|7.216252|4.666112|6.844851|5.451199|4.335994|7.738380|4.617750|2.814268|3.734488|0.066961|3.076332|0.080958|2.779785|2.965188|2.547668|2.181442|2.099545|2.315837|3.845779|1.882674|3.299086|2.339339|1.974976|1.866869|1.728378|2.250326|0.043189|1.718490|1.861937|1.933609|1.837157|1.698783|1.646898|0.299794|0.299796|0.500000| |6.883037|8.981981|17.781613|8.858016|12.752262|7.716880|5.091190|7.691855|5.046754|3.198458|4.575053|0.081366|4.145814|0.113773|3.622363|3.767424|3.092676|2.632705|2.575329|2.927121|4.834767|2.324804|3.590866|2.400539|2.025396|1.851360|1.698750|2.168664|0.041446|1.642677|1.807307|1.870715|1.742881|1.593811|1.551223|0.150764|0.150185|0.215259|0.500000| |4.076931|5.040455|4.163696|4.316390|6.232666|8.101986|9.419203|10.813229|25.980097|9.337911|8.146554|0.131528|5.115065|0.113984|4.345983|4.209974|3.377475|2.943961|2.981416|3.507687|5.905061|2.682914|10.240205|7.550613|4.701424|3.999662|3.406786|4.057434|0.073469|3.064509|3.649700|3.592234|3.009749|2.656896|2.667254|0.113161|0.113128|0.093091|0.093981|0.500000| |3.855818|5.068898|5.353333|6.401492|9.781757|10.176398|6.548030|7.407805|7.433514|4.758732|6.805325|0.117435|6.832153|0.148495|8.924135|17.737815|8.954917|5.674367|4.952994|5.642032|7.589085|3.332050|5.061074|3.199544|2.607299|2.284978|2.129007|2.601863|0.049625|1.888737|2.087661|2.041912|1.827644|1.690846|1.711268|0.092264|0.108556|0.097438|0.123542|0.128573|0.500000| |2.700429|3.141036|3.272448|3.639508|6.284784|5.286745|3.607757|4.442180|4.669065|3.267316|4.633442|0.088115|4.057027|0.099079|5.638998|8.909712|17.743035|8.918902|5.632359|4.951069|6.510225|3.129229|3.873248|2.547329|2.208567|1.977142|1.907666|2.340611|0.045450|1.661561|1.790703|1.718316|1.555413|1.469825|1.509847|0.066693|0.078131|0.071076|0.083368|0.087148|0.216331|0.500000| |2.077376|2.384833|2.513573|2.875841|5.233632|4.211953|2.815612|3.400240|3.834536|2.909918|4.286205|0.087393|3.551578|0.091569|4.951639|5.658452|8.936047|17.729985|8.943431|5.667557|7.456460|3.895365|3.609807|2.334177|2.116536|1.873497|1.818378|2.213267|0.043132|1.557878|1.677760|1.601735|1.446170|1.368485|1.410829|0.053020|0.058688|0.055224|0.065089|0.071458|0.124594|0.214718|0.500000| |1.973945|2.305281|2.460594|2.938370|5.499462|4.423805|2.859818|3.333647|3.999622|3.272551|5.157845|0.113526|4.115730|0.111048|5.618036|4.954956|5.647450|8.926228|17.766008|8.900123|12.531557|7.360059|4.103789|2.526305|2.333350|2.001314|1.904530|2.289621|0.044181|1.622761|1.778288|1.709541|1.526618|1.425867|1.460686|0.051329|0.054398|0.052300|0.063176|0.072740|0.107592|0.124203|0.216659|0.500000| |1.930944|2.271219|2.495038|3.067700|6.060613|4.480282|2.779115|3.224606|3.797970|3.189258|5.388436|0.125291|4.300832|0.131885|4.930073|3.910469|3.821548|4.625964|6.720253|7.198348|16.429044|17.609344|3.963599|2.390486|2.228681|1.900573|1.769171|2.147927|0.041192|1.554507|1.723243|1.698597|1.522282|1.402825|1.412985|0.050779|0.051842|0.051692|0.064744|0.068199|0.090841|0.088353|0.113299|0.213530|0.500000| |1.849428|2.158171|2.291310|2.749599|5.154073|4.209451|2.734621|3.158069|3.939549|3.435861|5.620314|0.137493|4.038658|0.115015|4.626169|3.700453|3.659367|4.495187|6.621687|6.839084|16.394942|17.596976|4.487015|2.678990|2.558996|2.140373|1.997638|2.384110|0.045608|1.704661|1.897028|1.839718|1.628262|1.502574|1.528807|0.049126|0.050170|0.048848|0.058667|0.071460|0.086105|0.085024|0.111744|0.227308|0.298463|0.500000| |1.912443|2.250566|2.431062|2.973950|5.715309|4.487068|2.836367|3.259024|4.001872|3.528933|6.092853|0.154548|4.361960|0.135575|4.431179|3.422380|3.184428|3.608992|4.876891|5.860051|16.901037|17.658688|4.514928|2.654271|2.518888|2.102326|1.923186|2.317942|0.044080|1.689548|1.900649|1.886517|1.673538|1.524500|1.527887|0.051144|0.050969|0.050739|0.062400|0.071744|0.082360|0.075080|0.088736|0.144520|0.299776|0.299966|0.500000| |2.437643|2.887616|2.782463|3.188144|5.228549|5.627229|4.354840|4.793349|8.139361|9.640847|10.434383|0.230695|4.872989|0.118210|4.278051|3.559297|3.059245|3.012737|3.408251|4.139901|8.090871|3.706039|25.999631|8.968050|7.586944|4.772629|3.839092|4.209852|0.075185|3.086308|3.856098|3.671130|2.914044|2.537208|2.582819|0.067573|0.066048|0.060813|0.067203|0.150392|0.093469|0.075008|0.073432|0.087569|0.086507|0.101949|0.102877|0.500000| |2.732932|3.103050|2.769368|2.927188|4.590075|5.039649|4.499559|5.447795|9.004979|6.746243|6.350655|0.117882|3.733138|0.087907|3.504456|3.346775|2.938789|2.727693|2.806050|3.154295|5.464223|2.588753|12.355605|17.591644|8.855341|6.884501|5.620531|5.885963|0.101930|4.166815|5.161803|4.396617|3.434498|3.092273|3.301446|0.076553|0.077400|0.066085|0.066604|0.223117|0.094220|0.076087|0.068082|0.070951|0.064472|0.072077|0.069455|0.188098|0.500000| |2.881506|3.270029|2.894094|3.028630|4.714702|5.170174|4.684495|5.772674|9.111173|6.858451|6.482347|0.119010|3.702613|0.089932|3.211183|2.974242|2.560417|2.384629|2.497117|2.875106|5.182656|2.470769|12.376017|17.599622|8.836457|6.999683|4.950938|5.633551|0.095554|4.492624|6.258759|6.114710|4.414163|3.643420|3.647594|0.083638|0.078976|0.069331|0.069429|0.226311|0.084907|0.066158|0.059502|0.063645|0.061670|0.067210|0.068234|0.186640|0.300147|0.500000| |2.126687|2.381112|2.235294|2.409339|3.958195|3.948895|3.182315|3.865191|5.523800|4.880459|5.477146|0.114130|3.087704|0.078761|2.788352|2.506249|2.249435|2.207457|2.390627|2.704203|5.137814|2.568027|9.779741|8.876214|17.515958|8.928027|5.752929|6.028966|0.101112|4.616674|6.621233|5.944056|4.183043|3.508233|3.607071|0.060767|0.058086|0.053263|0.055350|0.116682|0.068256|0.057571|0.055966|0.063230|0.062670|0.071823|0.072737|0.215846|0.174091|0.211026|0.500000| |2.068064|2.314412|2.172908|2.348634|3.865465|3.871149|3.115355|3.764712|5.483086|4.788571|5.330658|0.111285|3.078437|0.076721|2.946515|2.699573|2.477126|2.450683|2.628909|2.898184|5.336622|2.664460|9.585135|8.875379|17.539096|8.938598|7.060124|6.463794|0.110511|4.341415|5.461989|4.387168|3.359186|3.044366|3.317318|0.058020|0.057578|0.051805|0.053812|0.116399|0.072502|0.063457|0.062448|0.069579|0.064863|0.076699|0.073198|0.210566|0.215117|0.173876|0.302299|0.500000| |1.838436|1.969438|1.820728|1.893221|3.116388|2.989609|2.436149|3.127843|4.017296|3.105717|3.589029|0.072658|2.265987|0.057197|2.232599|2.165113|2.056395|2.012338|2.064669|2.174804|3.860709|1.983983|5.187201|4.926364|6.450488|8.681232|17.779572|12.237777|0.213257|5.884783|5.778911|4.082374|3.380875|3.409458|4.179097|0.051885|0.052338|0.046304|0.045907|0.089378|0.059519|0.054694|0.052830|0.055054|0.050082|0.057238|0.054015|0.103727|0.147545|0.119012|0.139269|0.196472|0.500000| |2.269846|2.443612|2.228933|2.288142|3.701261|3.603068|3.003365|3.918811|4.863765|3.738618|4.282175|0.084235|2.604268|0.067711|2.290091|2.124916|1.895406|1.812922|1.909801|2.144209|3.986345|2.006842|6.065425|5.600010|6.018555|6.419798|4.543464|5.896376|0.098881|5.606548|8.810509|17.691863|8.957201|5.616867|4.884628|0.067638|0.061347|0.056555|0.055707|0.108433|0.060087|0.049613|0.046311|0.050166|0.050698|0.054755|0.057060|0.115995|0.125996|0.195389|0.189139|0.125361|0.102761|0.500000| 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