Version2.2 2021-02-09T12:13:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 29-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H]1C[C@@H](C[C@H]2N1[C@@H](Cc3c2[nH]c4c3cccc4)C(=O)OC)[NH2+]CCN(C)C C22927066 RHF 6-31G(d) (6D,7F) CC[C@@H]1C[C@@H](C[C@H]2N1[C@@H](Cc3c2[nH]c4c3cccc4)C(=O)OC)[NH2+]CCN(C)C C01[X(C23H35N4O2)] 186 C1 505 CC[C@@H]1C[C@H]([NH2+]CCN(C)C)C[C@H]2N1[C@@H](Cc1c2[nH]c2c1cccc2)C(=O)OC CC[C@@H]1C[C@H]([NH2+]CCN(C)C)C[C@H]2N1[C@@H](Cc1c2[nH]c2c1cccc2)C(=O)OC CC[C@@H]1C[C@@H](C[C@H]2N1[C@@H](Cc3c2[nH]c4ccccc34)C(=O)OC)[NH2+]CCN(C)C InChIKey=AEWVATAJOYIKJM-HDIOYNLWSA-O InChI=1S/C23H34N4O2/c1-5-16-12-15(24-10-11-26(2)3)13-20-22-18(14-21(27(16)20)23(28)29-4)17-8-6-7-9-19(17)25-22/h6-9,15-16,20-21,24-25H,5,10-14H2,1-4H3/p+1/t15-,16+,20+,21-/m0/s1 InChI=1/C23H34N4O2/c1-5-16-12-15(24-10-11-26(2)3)13-20-22-18(14-21(27(16)20)23(28)29-4)17-8-6-7-9-19(17)25-22/h6-9,15-16,20-21,24-25H,5,10-14H2,1-4H3/p+1/t15-,16+,20+,21-/m0/s1/fC23H35N4O2/h24H/q+1 CC[C@@H]1C[C@@H](C[C@H]2N1[C@@H](Cc3c2[nH]c4c3cccc4)C(=O)OC)[NH2+]CCN(C)C C01[X(C23H35N4O2)] 186 C01 505 CC[C@@H]1C[C@H]([NH2+]CCN(C)C)C[C@H]2N1[C@@H](Cc1c2[nH]c2c1cccc2)C(=O)OC COC(=O)[C@@H]1C[C]2=C([C@@H]3[N@@]1[C@H](CC)C[C@@H](C3)[NH2]CCN(C)C)N[C]1[C]2[CH][CH][CH][CH]1 CC[C@@H]1C[C@@H](C[C@H]2N1[C@@H](CC3=C2N[C]4[CH][CH][CH][CH][C]34)C(=O)OC)[NH2]CCN(C)C InChIKey=YMTGEJTYISBOHB-HDIOYNLWSA-N InChI=1S/C23H35N4O2/c1-5-16-12-15(24-10-11-26(2)3)13-20-22-18(14-21(27(16)20)23(28)29-4)17-8-6-7-9-19(17)25-22/h6-9,15-16,20-21,25H,5,10-14,24H2,1-4H3/t15-,16+,20+,21-/m0/s1 InChI=1/C23H35N4O2/c1-5-16-12-15(24-10-11-26(2)3)13-20-22-18(14-21(27(16)20)23(28)29-4)17-8-6-7-9-19(17)25-22/h6-9,15-16,20-21,25H,5,10-14,24H2,1-4H3/t15-,16+,20+,21-/m0/s1 2898.0572316768 -1258.6702305 1-A 15850.9386 108 397 505 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1.5602 1.3192 1.3687 1.3415 1.4776 1.3552 1.2018 2.4169 1.1403 2.1934 1.1515 1.4117 1.0510 1.1014 1.1354 1.0543 1.0745 1.0887 1.0582 1.0793 1.0878 1.0520 1.0956 1.0745 2.5652 1.0588 5.9559 6.5801 1.0752 7.3661 11.6897 1.0725 1.0542 1.0831 1.0563 1.0835 1.0626 1.0408 1.0682 1.0706 1.0641 1.0918 1.0985 1.0836 1.0293 1.0964 1.0824 1.0973 1.1020 1.0968 1.1003 1.0953 1.0687 1.0991 1.0846 1.1026 1.1095 1.0876 1.0910 1.1093 1.1101 1.0954 1.0980 1.0555 1.0954 1.0794 0.0010 0.0009 0.0021 0.0034 0.0062 0.0072 0.0153 0.0210 0.0131 0.0207 0.0236 0.0282 0.0328 0.0405 0.0267 0.0438 0.0495 0.0559 0.0710 0.1340 0.0358 0.0628 0.0761 0.1071 0.0925 0.1881 0.1910 0.2923 0.2391 0.2535 0.1959 0.2139 0.1994 0.2554 0.3296 0.3422 0.3407 0.4321 0.5003 0.5910 0.5925 0.6254 0.7342 0.9129 1.1724 0.8568 0.8315 1.3693 1.3857 1.5486 1.6466 1.6586 0.4768 1.0749 1.1674 0.6773 0.6636 1.0265 1.4610 1.6805 1.3373 1.2759 0.8033 1.0750 1.9955 1.4391 1.9000 2.2301 1.9961 0.9328 1.6900 1.9363 2.2784 0.9905 1.4781 1.8092 2.0382 2.1537 1.4265 2.0080 1.5560 1.6053 1.3961 2.1448 1.2696 1.8464 1.4806 1.5442 1.5815 1.9454 1.3737 2.1087 1.2563 1.5639 1.9332 1.4730 1.5704 1.6773 2.5672 1.9513 1.9475 2.5007 3.2391 2.3606 1.7478 1.7573 1.7618 2.4937 1.7048 1.7015 1.6956 1.6560 1.7400 1.5813 1.7152 1.8723 1.8945 2.2121 2.3792 2.0193 2.2349 1.9021 1.9940 1.9592 2.1681 2.0294 1.8141 3.7106 1.7671 3.4285 1.8018 2.2179 1.6533 1.7445 1.8024 1.6745 1.7075 1.7359 1.6889 1.7253 1.7434 1.6922 1.7771 1.7438 4.1666 1.7213 10.9956 12.7416 2.1056 14.7106 27.2511 6.1878 6.1981 6.3714 6.2414 6.4592 6.4271 6.3166 6.5027 6.5465 6.5129 6.7679 6.8529 6.7784 6.4467 6.8793 6.8072 6.9204 6.9893 6.9742 7.0128 6.9915 6.8679 7.0775 7.0069 7.1282 7.3204 7.2380 7.2859 7.4094 7.4417 7.3707 7.4471 8.3401 8.9605 9.5472 0.5080 0.4324 0.1968 0.4903 1.2865 4.6149 1.8127 0.4558 0.5743 4.7283 1.1687 0.1945 1.6022 1.4242 0.6466 1.7298 3.3671 4.8979 1.7904 0.7629 0.4219 1.0905 5.5915 1.7989 2.4523 22.7289 1.6904 5.6066 7.6999 23.5122 52.8504 36.4686 95.1351 3.8836 0.9050 0.0652 4.7744 0.6997 7.9469 1.3588 8.7657 3.3279 1.6724 8.4634 0.2000 0.8364 0.6696 6.9410 25.7429 4.3719 0.0805 2.7784 8.7243 13.1114 13.1225 64.8560 10.6849 23.9307 3.4726 8.9546 4.6028 1.5459 0.3767 3.5391 4.3549 16.8186 6.0259 93.1183 14.9887 3.3449 10.4614 2.7167 14.7815 0.2657 1.1511 1.4298 11.4747 32.6620 28.9189 7.8238 23.0449 13.5357 9.8880 3.4498 2.0195 16.3391 25.6385 43.4956 5.7460 34.1536 8.1611 18.3776 3.5997 12.0587 51.9628 10.0222 20.9356 16.2593 37.8655 108.9178 27.3449 68.8809 27.4140 206.1279 58.4787 44.7378 27.0612 29.1270 8.4585 8.9776 25.9532 0.5002 21.4469 3.3430 1.0664 12.5635 17.8974 58.7414 18.4577 97.1821 39.6988 19.9625 49.9733 52.5415 27.2817 40.2951 13.7692 19.5832 3.1767 23.5622 3.9606 14.9937 6.1606 1.5250 15.4740 10.4529 3.5976 9.1461 6.9020 4.7489 0.4906 17.2572 5.9582 2.5577 2.8293 13.2789 4.8734 7.0565 53.0157 5.7769 214.1742 41.1107 31.7106 17.5631 99.0682 12.9303 11.0696 35.3484 18.8217 26.3631 18.6397 14.6758 19.9710 47.8711 33.3732 4.2918 37.1457 19.7847 45.3422 25.3314 47.8247 6.9542 12.7810 8.3258 22.0919 43.5307 22.8564 3.2585 2.2293 16.5708 5.6669 27.9492 26.7863 35.1863 47.4067 49.9531 0.6984 0.0634 1.3929 1.7790 1.3495 1.5235 1.2085 4.6697 0.3329 0.3574 0.7819 0.5379 0.9029 1.0856 1.3514 1.3459 0.5704 0.3567 2.0373 1.0924 0.0986 0.6523 1.7285 2.3202 0.5196 0.9046 0.3033 0.6194 0.7636 0.1381 2.5091 3.2217 3.8495 0.3727 2.7209 0.4158 0.2011 0.7560 0.2714 0.8174 0.4840 2.4496 1.2390 4.9396 2.2714 0.1536 2.9320 2.4823 2.1735 6.1130 2.5508 4.9816 0.1334 9.7236 1.1233 1.2264 0.5609 1.9295 11.3534 12.0278 7.5790 7.3358 2.5283 0.7005 3.0818 3.2442 0.8138 10.5123 3.9380 0.1514 10.6397 1.9872 12.2428 1.8449 17.1722 5.1547 8.0445 5.3028 7.1400 12.6839 10.7080 2.6795 1.7065 7.9850 4.3838 5.4341 3.5530 11.4607 6.1083 16.1536 3.8218 8.3619 4.4333 5.3407 8.5715 4.6781 10.1709 5.3357 4.0720 20.8064 3.2072 15.8789 58.0925 5.4635 2.0958 16.7106 7.6359 1.6037 8.5439 8.8377 20.8583 28.1584 3.5987 3.4021 12.0003 1.8864 0.8984 5.8205 5.7146 7.6960 3.2239 1.3486 3.2034 5.2696 3.4624 6.8927 4.3437 16.0419 12.8185 39.5691 6.2841 19.2240 22.2104 8.2745 11.5636 20.2943 33.6204 0.9847 8.9379 0.9252 4.4579 11.3512 7.5620 6.0597 2.6439 32.4179 67.0975 143.8319 7.1371 58.1417 1.6582 36.3181 11.3317 47.4577 185.9735 58.9822 9.2534 91.5988 68.9458 71.0328 66.5443 37.3641 51.7037 57.5980 95.2283 95.8110 97.7724 46.2782 62.1287 28.9180 55.6877 55.7061 75.2856 19.0272 94.7445 130.8714 38.3112 17.2955 107.9093 78.0123 24.8043 75.6921 289.2747 39.4969 24.8774 71.2782 0.7457 0.7414 0.7493 0.7481 0.7497 0.7489 0.7286 0.7473 0.6962 0.7384 0.7500 0.7416 0.1831 0.7461 0.5678 0.6233 0.7230 0.1739 0.2142 0.7066 0.4808 0.2683 0.2140 0.1825 0.5661 0.2200 0.4922 0.0643 0.7470 0.4100 0.6942 0.5458 0.6257 0.2931 0.1721 0.7071 0.6783 0.7017 0.5472 0.7154 0.7300 0.4125 0.3487 0.6915 0.3178 0.4891 0.1365 0.7240 0.4061 0.3197 0.3018 0.1553 0.6952 0.2568 0.7163 0.7219 0.7015 0.7057 0.1698 0.2562 0.1072 0.0496 0.7451 0.2341 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0.0242 0.7841 0.3963 0.4773 0.7553 0.3979 0.7462 0.7137 0.0823 0.7815 0.2801 0.7853 0.8552 0.8100 0.7860 0.7840 0.7667 0.8439 0.2310 0.1302 0.8028 0.3898 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 1 6 6 1 6 6 1 7 6 1 6 6 6 7 1 6 6 6 6 6 6 6 8 8 6 7 1 1 6 6 7 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 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 12.00000 12.00000 1.00783 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 14.00307 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 9600.4398 18879.0779 26737.9982 0.99990 -0.01443 0.00029 0.01443 0.99988 0.00495 -0.00036 -0.00495 0.99999 1 0.00902 0.00459 0.00324 0.18799 0.09559 0.06750 29.02 35.10 41.23 51.45 73.07 81.31 108.10 139.45 144.58 157.04 169.67 190.31 216.71 218.36 235.29 250.60 263.25 273.18 281.99 335.48 347.06 368.59 371.87 393.24 417.39 433.04 455.65 491.74 519.87 548.06 560.24 566.27 589.26 615.83 665.15 676.37 679.67 709.48 722.47 751.93 781.22 812.80 829.14 865.69 900.02 910.86 937.18 977.30 1035.09 1080.92 1140.24 1167.67 1201.31 1202.09 1215.17 1222.75 1254.75 1290.27 1327.60 1335.20 1351.54 1365.31 1392.74 1397.73 1415.35 1450.50 1464.54 1514.74 1529.50 1536.30 1563.81 1570.54 1580.22 1601.33 1605.75 1624.53 1633.69 1637.09 1660.38 1668.40 1678.20 1685.67 1697.23 1746.96 1758.52 1764.53 1768.89 1774.51 1782.83 1814.46 1843.54 1851.67 1864.88 1879.59 1894.12 1903.54 1914.07 1923.85 1953.99 1972.36 1993.39 1998.16 2011.28 2017.87 2042.43 2060.29 2067.24 2070.74 2074.25 2092.03 2107.30 2115.60 2123.54 2132.41 2164.36 2175.34 2193.05 2206.17 2214.02 2222.95 2243.40 2250.73 2262.41 2265.22 2270.57 2293.74 2302.97 2322.53 2333.35 2343.51 2344.69 2349.51 2350.90 2359.00 2361.61 2362.26 2362.94 2366.94 2368.07 2369.94 2372.91 2377.24 2387.22 2387.89 2388.91 2389.99 2546.86 2608.34 2623.13 2648.89 2861.93 4502.35 4544.95 4546.24 4556.26 4576.68 4609.83 4617.71 4624.72 4635.01 4637.39 4666.78 4681.66 4688.21 4691.11 4695.23 4700.76 4707.40 4720.57 4726.59 4732.11 4735.67 4751.84 4756.53 4764.32 4765.91 4814.64 4835.46 4843.97 4844.44 4853.10 4862.33 4881.60 5269.04 5361.16 5574.52 0.610623 0.637722 0.638666 0.551264 -1258.059607 -1258.032509 -1258.031565 -1258.118967 2.931477D-04 MUNgauss RevisionA2.1 retrievium 09-Feb-2021 DUDE CC[C@@H]1C[C@@H](C[C@H]2N1[C@@H](Cc3c2[nH]c4c3cccc4)C(=O)OC)[NH2+]CCN(C)C C22927066 RHF 6-31G(d) (6D,10F) C1 399.276002 |X|Y|Z| 70.728994 100.946404 25.652413 56.790041 17 6 7 15 2 |36.858105| |12.438410|36.858105| |7.394227|12.408021|36.858105| |6.814678|8.945664|17.487680|0.500000| |6.310124|7.549478|12.378651|0.246457|36.858105| |4.298854|4.907591|7.535361|0.191608|12.501524|36.858105| |4.137464|4.494869|6.662181|0.198791|8.854468|17.590061|0.500000| |3.578446|4.355502|6.496339|0.162333|7.545593|12.532968|0.245822|36.858105| |3.818989|5.010271|7.892928|0.203470|6.604085|7.645398|0.187510|12.386621|36.858105| |3.789398|4.742157|7.326716|0.229138|5.948302|7.013793|0.202948|8.869499|17.462260|0.500000| |4.901264|7.569955|12.969965|0.251009|7.880781|6.671292|0.157119|7.820593|13.003144|0.250663|53.358707| |4.324409|6.563853|7.571409|0.177144|5.069669|4.419108|0.111348|5.097300|7.699680|0.178419|17.777154|36.858105| |4.826932|7.754904|7.117557|0.160691|4.853514|3.967095|0.099717|4.271516|5.639270|0.136656|12.529435|17.650888|0.500000| |3.281972|4.456228|4.988864|0.120988|3.996564|3.759086|0.093764|4.647727|6.384396|0.142515|10.535962|12.395868|0.249939|36.858105| |2.879386|3.703578|4.467191|0.113903|3.810039|3.936410|0.099385|5.346960|7.546809|0.164510|9.229634|7.738520|0.156978|12.743999|36.858105| |3.035773|3.857890|5.095352|0.133553|4.448587|4.991988|0.126638|7.670764|12.721311|0.249510|10.639084|6.953186|0.140477|7.717285|14.223552|36.858105| |2.536695|3.051103|3.856044|0.105120|3.604350|4.255550|0.112474|6.254337|7.501013|0.185113|6.907087|4.644669|0.102943|5.204022|8.496589|13.755898|53.358707| |2.456565|2.882401|3.657838|0.103292|3.480247|4.252930|0.117677|5.969193|6.712948|0.187192|6.144687|4.039760|0.091639|4.230012|6.052968|9.066303|26.052593|0.500000| |2.242334|2.674723|3.190290|0.086188|2.960221|3.309912|0.087337|4.449489|5.183373|0.130076|5.594714|4.129253|0.094452|5.077294|8.365400|8.530019|18.713355|0.253297|36.858105| |2.363260|2.890350|3.355542|0.088326|3.011829|3.193281|0.082611|4.189672|5.144086|0.123845|6.125530|4.942574|0.112018|7.088088|13.154385|8.496440|11.490009|0.167227|13.631193|36.858105| |2.086390|2.499781|2.773319|0.073194|2.515814|2.608548|0.067983|3.235414|3.770627|0.094043|4.793362|3.975103|0.096067|5.568248|7.271421|5.259112|7.259247|0.119663|7.892925|13.646079|36.858105| |1.831777|2.138798|2.364246|0.063367|2.193690|2.310636|0.061060|2.814593|3.147334|0.080896|3.924054|3.128898|0.077195|3.993852|5.011253|4.175648|6.301447|0.110176|6.933435|7.983694|13.839632|36.858105| |1.776118|2.049776|2.308020|0.062680|2.176528|2.357153|0.063001|2.893811|3.162562|0.082752|3.779500|2.893180|0.070770|3.504898|4.554524|4.188032|7.004597|0.127099|8.052821|6.884473|7.885284|13.594170|36.858105| |1.930493|2.239188|2.598595|0.071038|2.462794|2.747932|0.073736|3.492812|3.817827|0.100114|4.309095|3.187107|0.076052|3.775793|5.272292|5.295814|10.323322|0.186309|13.701251|7.810820|6.746386|7.862969|13.829037|36.858105| |3.968065|5.435198|6.037719|0.170673|4.141502|3.779912|0.102258|4.193437|6.228331|0.175100|10.428993|12.463556|0.251928|7.485287|6.141778|5.857729|5.877450|0.109464|3.895117|4.469498|3.698707|3.006638|2.817755|3.096153|36.858105| |4.034195|5.194572|6.158035|0.200961|4.240871|3.987264|0.113448|4.275375|6.313203|0.206584|9.324852|7.914844|0.175066|5.395674|5.092652|5.474214|5.800414|0.113853|3.688440|3.936685|3.248304|2.748524|2.665990|2.989097|15.986742|73.516695| |3.356182|4.324114|4.379216|0.121756|3.276469|3.013791|0.081557|3.317097|4.481954|0.124013|7.122907|8.070775|0.203347|6.638547|5.277998|4.611337|4.993189|0.092934|3.553161|4.216235|3.748762|3.045407|2.770365|2.926193|14.489249|15.302543|73.516695| |2.940081|3.525875|3.552150|0.103483|2.775726|2.608712|0.072536|2.807985|3.624090|0.105349|5.370706|5.153700|0.134253|4.516202|4.031007|3.715653|4.323075|0.083386|3.111619|3.511717|3.231554|2.759748|2.557434|2.675566|8.130960|12.762791|23.786616|36.858105| |3.591151|3.819032|4.950672|0.126845|7.722948|12.533467|0.254282|7.615034|4.952026|0.127317|6.169995|3.370959|0.087385|3.047398|3.186429|3.824498|4.763792|0.097804|2.850426|2.727205|2.300363|2.083656|2.139457|2.459985|2.924337|5.378605|4.356447|2.164246|53.358707| |3.451676|3.744150|4.673127|0.114410|7.083391|9.199287|0.181625|7.147806|4.709631|0.115386|6.096355|3.379620|0.088664|3.140242|3.247679|3.790931|4.685577|0.093541|2.862886|2.782821|2.362937|2.130292|2.167432|2.468351|2.845767|5.090712|4.292668|2.110330|25.678379|0.500000| |3.821496|3.838222|4.730739|0.122986|7.494794|9.218935|0.220176|5.680075|4.196846|0.111370|5.532699|3.110145|0.082652|2.767112|2.817845|3.286657|4.083170|0.083995|2.503909|2.426364|2.082513|1.893476|1.931781|2.188925|2.742464|5.071663|4.124118|2.068910|25.679033|0.329555|0.500000| |2.850101|2.991705|3.736388|0.100896|4.936128|7.385940|0.195108|6.076391|4.162909|0.111521|4.897112|2.833485|0.072749|2.650863|2.872249|3.463675|4.634697|0.098739|2.783427|2.568137|2.183988|2.027256|2.130471|2.473562|2.551582|4.743351|3.876636|1.967607|17.255992|0.255914|0.256988|36.858105| |2.508023|2.557642|3.008566|0.080765|3.859654|4.883018|0.129436|4.195176|3.161764|0.084628|3.917935|2.365919|0.062188|2.246924|2.386823|2.754196|3.711930|0.078107|2.332384|2.181554|1.908014|1.792971|1.875366|2.127583|2.143124|3.937927|3.335990|1.710002|10.388570|0.194939|0.202151|12.460915|36.858105| |2.139252|2.184226|2.537844|0.069385|3.072526|3.811829|0.105311|3.510093|2.763918|0.075235|3.372825|2.093785|0.054799|2.019291|2.176147|2.497305|3.481695|0.074482|2.219130|2.041254|1.803378|1.724757|1.829334|2.074668|1.934557|3.567885|3.048987|1.583420|6.908510|0.131703|0.133342|7.866601|13.210160|53.358707| |1.955568|2.033806|2.349878|0.063567|2.773848|3.394746|0.091275|3.354639|2.661168|0.071212|3.225385|2.032567|0.053010|2.010998|2.195845|2.495277|3.558218|0.075564|2.305464|2.102057|1.869510|1.807098|1.932210|2.188469|1.867076|3.400770|2.969973|1.538899|5.838257|0.118567|0.108333|6.048007|7.885947|17.843311|36.858105| |1.957144|1.957096|2.212707|0.060886|2.631346|3.092306|0.086633|2.814573|2.318252|0.063730|2.900589|1.836137|0.048648|1.765404|1.873973|2.109159|2.920715|0.062231|1.899197|1.767461|1.585563|1.524242|1.607349|1.794670|1.715494|3.165289|2.734472|1.434008|5.347518|0.103154|0.109934|5.204010|7.877000|17.827387|7.919149|36.858105| |17.581046|8.844430|5.454042|0.142418|4.705561|3.468551|0.093107|3.016348|3.241077|0.089176|5.560683|3.874830|0.124019|3.029506|2.622809|2.693904|3.102604|0.061143|2.057679|2.188307|1.967780|1.733471|1.668445|1.790452|3.637435|6.436562|5.729673|2.867543|4.088478|0.081480|0.088245|2.460217|2.212233|2.608031|1.767997|1.773775|0.500000| |17.540168|8.750545|6.848632|0.206154|5.834081|4.273743|0.121137|3.500829|3.759882|0.108607|6.198872|4.000510|0.118131|3.050047|2.759013|2.967855|3.426934|0.068891|2.207687|2.289241|2.014513|1.784721|1.747867|1.911128|3.910582|7.477311|5.831833|2.965017|4.802547|0.091232|0.104929|2.865390|2.502126|2.932419|1.949469|1.978572|0.302532|0.500000| |17.566058|8.686946|6.444334|0.159224|6.740229|4.477357|0.117080|3.579597|3.597268|0.097448|6.058924|3.795485|0.115220|3.020417|2.701735|2.869966|3.314716|0.065679|2.149764|2.244657|1.986926|1.757383|1.712814|1.863274|3.389750|6.095897|5.160736|2.556345|5.363458|0.106071|0.121001|3.050694|2.729481|3.109759|2.068314|2.098199|0.303714|0.300816|0.500000| |8.985812|17.600569|8.895253|0.218392|5.517648|4.087766|0.107818|3.842826|4.677595|0.126816|9.320060|7.180665|0.251842|4.648797|3.750177|3.787879|4.078917|0.078492|2.675289|2.934285|2.562736|2.181339|2.071534|2.243337|6.592903|10.842026|9.402790|4.238649|4.394141|0.087666|0.089119|2.640742|2.273008|2.699642|1.863603|1.788051|0.222777|0.208935|0.173979|0.500000| |8.829553|17.527541|8.824676|0.174497|6.775143|4.521992|0.110369|4.169456|4.620073|0.115372|9.518667|6.376886|0.227853|4.654655|3.721972|3.735931|4.026908|0.076333|2.643747|2.910457|2.548786|2.165687|2.051210|2.216767|4.829057|7.746406|7.199755|3.251915|5.038994|0.105206|0.102588|2.891350|2.516717|2.915989|2.019563|1.920274|0.209221|0.172610|0.212908|0.303226|0.500000| |5.715224|6.965177|8.888360|0.174437|17.515933|8.854179|0.173956|6.733362|5.739430|0.135272|9.744296|4.911105|0.135901|4.079844|3.783668|4.221637|4.667190|0.089803|2.894448|3.003885|2.541426|2.204717|2.162733|2.416325|3.809338|6.602086|5.541874|2.611599|9.770211|0.215532|0.191496|4.615320|3.796918|4.081028|2.765599|2.575573|0.125159|0.136719|0.177919|0.141846|0.204956|0.500000| |7.219901|6.942214|8.791340|0.213921|17.560417|8.897621|0.219160|5.519326|4.953187|0.133501|7.696337|4.126313|0.113524|3.312129|3.153195|3.597708|4.142701|0.083268|2.555666|2.582242|2.207015|1.954908|1.945948|2.179843|3.592690|6.688499|5.205824|2.555988|9.548786|0.171202|0.223099|4.676965|3.834942|4.137436|2.673644|2.670984|0.143577|0.192889|0.238566|0.142389|0.167474|0.300629|0.500000| |3.386201|4.149808|5.688515|0.134021|6.729650|8.838686|0.173613|17.539589|8.896929|0.174449|9.728291|4.959120|0.118838|4.866650|5.487643|7.076366|7.884289|0.144085|4.429748|4.327173|3.381329|2.912436|2.946017|3.487965|3.865074|6.664329|5.624364|2.646449|9.589300|0.216555|0.147559|5.562748|4.124220|4.661254|3.385013|2.752884|0.080729|0.089158|0.095648|0.101174|0.116928|0.195668|0.138401|0.500000| |3.033067|3.536068|4.887986|0.131235|5.496022|8.814536|0.216622|17.584834|8.824791|0.213926|7.679061|4.172220|0.098126|3.988382|4.842660|7.036857|9.455355|0.201755|4.712188|4.110343|3.182452|2.854191|3.039114|3.787444|3.667133|6.788255|5.316075|2.608458|9.243388|0.171514|0.141625|6.614849|4.403422|5.237950|3.739744|3.003243|0.072516|0.084125|0.084363|0.089378|0.093823|0.138096|0.123830|0.301028|0.500000| |2.976833|3.899404|4.105513|0.103562|3.325799|3.124149|0.079989|3.702255|4.841795|0.117025|7.655467|8.848840|0.212760|17.609048|8.893674|5.786250|5.974204|0.102186|4.572725|6.509030|5.822754|4.119015|3.470785|3.575976|7.086411|8.909836|13.652634|5.084889|3.543258|0.074093|0.066736|2.308636|1.993349|2.469468|1.810744|1.605973|0.078434|0.077409|0.075543|0.117640|0.112558|0.093748|0.079387|0.106047|0.091581|0.500000| |3.252671|4.377601|4.726001|0.110321|4.019587|3.706626|0.089938|4.513019|5.539831|0.121858|9.393501|8.886165|0.225049|17.544373|8.874783|6.246888|6.177578|0.103902|4.460148|5.971219|5.039707|3.720699|3.255273|3.448133|5.518052|7.639101|8.969224|3.684766|4.226025|0.091495|0.078366|2.666937|2.292740|2.780579|2.047178|1.786609|0.083862|0.081982|0.085115|0.121612|0.135380|0.120390|0.092286|0.140307|0.106286|0.302972|0.500000| |2.098561|2.523946|2.721054|0.071111|2.444643|2.466222|0.063992|2.981016|3.475063|0.086557|4.663415|4.025775|0.100445|5.817013|6.440176|4.560543|5.878277|0.099686|5.611606|8.841219|17.712601|8.929577|5.615766|4.885608|3.700709|5.619440|6.943364|3.318580|2.970513|0.062629|0.055455|2.044755|1.804450|2.307142|1.747585|1.502427|0.055570|0.055774|0.055319|0.072569|0.072450|0.069336|0.059859|0.087283|0.079657|0.184582|0.150495|0.500000| |1.692688|1.955336|2.120686|0.056871|1.975323|2.056321|0.054483|2.444180|2.696778|0.069930|3.445691|2.762288|0.069808|3.453271|4.034943|3.411118|4.997348|0.090127|4.984283|5.661573|8.957312|17.726574|8.890075|5.628186|2.672582|4.347233|4.912143|2.546323|2.554730|0.053416|0.047830|1.827591|1.639152|2.153776|1.658715|1.412144|0.044889|0.045749|0.045180|0.055570|0.055247|0.055402|0.049412|0.070411|0.068478|0.101324|0.091243|0.215413|0.500000| |1.617470|1.839538|2.050618|0.056008|1.953377|2.114218|0.056940|2.535968|2.713448|0.072051|3.277473|2.489324|0.061903|2.928383|3.624816|3.422747|5.621604|0.107039|5.694223|4.958571|5.636537|8.890043|17.722500|8.973869|2.448443|4.169729|4.308183|2.282319|2.653299|0.054753|0.049245|1.964224|1.752824|2.354737|1.836818|1.532710|0.042399|0.044362|0.043493|0.051591|0.051088|0.053904|0.049082|0.071484|0.074443|0.081111|0.076619|0.124008|0.215776|0.500000| |1.841970|2.102875|2.449675|0.067777|2.362591|2.686596|0.073188|3.362800|3.544791|0.095429|3.950522|2.845768|0.068588|3.224382|4.300438|4.608923|9.132993|0.188236|8.832885|5.575862|4.885546|5.600381|8.897411|17.712239|2.796539|4.928210|4.655499|2.439052|3.322238|0.067360|0.060325|2.520005|2.171532|2.933251|2.288540|1.860617|0.047353|0.051061|0.049653|0.058164|0.057418|0.063864|0.058679|0.091680|0.104784|0.084384|0.082727|0.106371|0.123771|0.215074|0.500000| |2.633396|3.102229|3.054199|0.086972|2.461195|2.313334|0.063804|2.488612|3.107518|0.088253|4.604081|4.369911|0.118374|4.103245|3.626012|3.252089|3.868065|0.074233|2.868566|3.281142|3.156795|2.718611|2.473836|2.520676|5.949738|9.167812|16.897092|17.679313|2.668958|0.053591|0.052218|1.793110|1.578266|1.998306|1.435540|1.336841|0.072613|0.072859|0.064426|0.101950|0.081738|0.065490|0.063356|0.066351|0.064614|0.134098|0.095825|0.092403|0.071078|0.061828|0.063597|0.500000| |2.704149|3.196684|3.368286|0.099929|2.688475|2.607700|0.073421|2.849210|3.694008|0.110253|5.150558|4.689677|0.116356|4.268258|4.120755|3.893873|4.671818|0.091419|3.374936|3.707108|3.374656|2.928872|2.762741|2.919463|7.198460|12.683632|16.423118|17.647511|2.943184|0.058179|0.057020|1.996609|1.725657|2.193484|1.570270|1.455152|0.072158|0.076782|0.066307|0.102777|0.081643|0.069648|0.068635|0.073669|0.075018|0.129973|0.096131|0.093470|0.074327|0.068407|0.074177|0.298544|0.500000| |3.159714|3.690210|3.613469|0.108110|2.803110|2.594388|0.073050|2.705445|3.426458|0.101657|5.149745|4.699443|0.127086|3.901443|3.487094|3.342932|3.911996|0.076801|2.751385|3.022323|2.768005|2.407150|2.267723|2.390026|7.191168|12.742717|16.414891|17.644357|2.930326|0.057860|0.057858|1.949076|1.699156|2.135912|1.510869|1.429533|0.086515|0.090213|0.074973|0.126379|0.092083|0.072394|0.073068|0.070195|0.069591|0.116591|0.091530|0.078448|0.062040|0.056856|0.061543|0.298502|0.299842|0.500000| |2.839056|2.933621|3.679303|0.103824|4.671564|6.929769|0.217076|5.545346|4.067217|0.115044|4.718030|2.755434|0.070433|2.536315|2.755544|3.351840|4.529654|0.099307|2.703929|2.472379|2.103259|1.962395|2.074926|2.418005|2.557048|4.867183|3.872011|1.992173|12.372650|0.180603|0.218177|17.645823|8.830600|9.605309|5.223572|5.050008|0.067958|0.081420|0.083309|0.072782|0.076887|0.115200|0.127152|0.132114|0.172247|0.061938|0.069536|0.054587|0.049174|0.053341|0.069072|0.050140|0.056553|0.055215|0.500000| |2.649854|2.862975|3.597788|0.096441|4.510083|6.739362|0.172003|6.766945|4.445323|0.116276|4.995634|2.911804|0.073561|2.803389|3.137335|3.849775|5.340590|0.114253|3.157887|2.844638|2.391728|2.229431|2.373158|2.802737|2.606117|4.799397|3.969326|2.005833|12.394850|0.223457|0.181274|17.684368|8.763814|9.656470|6.542461|4.643462|0.064179|0.073464|0.077314|0.071230|0.077597|0.119792|0.113240|0.176436|0.229874|0.067413|0.078277|0.061385|0.055338|0.060520|0.079915|0.050861|0.056948|0.054531|0.301432|0.500000| |2.472156|2.541649|2.939969|0.077025|3.780616|4.559434|0.114655|4.055078|3.064589|0.079956|3.882208|2.360193|0.062574|2.272401|2.391786|2.710471|3.620237|0.074611|2.309225|2.188222|1.927134|1.805759|1.873029|2.104828|2.101499|3.798578|3.293370|1.675509|9.605773|0.211868|0.184944|8.792187|17.412181|12.225912|7.424693|6.417081|0.061000|0.067199|0.075309|0.062492|0.070954|0.108409|0.102753|0.117042|0.114771|0.055915|0.065512|0.050903|0.045999|0.048583|0.059122|0.043207|0.046687|0.046053|0.173002|0.206762|0.500000| |2.597355|2.571571|2.969559|0.080445|3.835044|4.604617|0.125800|3.753308|2.941042|0.079937|3.741475|2.272088|0.060426|2.123020|2.215318|2.530258|3.359503|0.070633|2.126901|2.013124|1.772770|1.662528|1.726367|1.941059|2.076705|3.838275|3.238615|1.669554|9.455408|0.170930|0.216277|8.912393|17.558828|12.530714|5.760116|7.762111|0.063600|0.072519|0.079686|0.063202|0.069796|0.103550|0.111140|0.100981|0.106026|0.052678|0.060034|0.046932|0.042446|0.044921|0.054798|0.042802|0.046586|0.046494|0.216472|0.173634|0.302428|0.500000| |1.892485|1.963127|2.230593|0.059643|2.634357|3.115405|0.082121|3.074554|2.470393|0.065341|3.062457|1.946970|0.051279|1.939163|2.090719|2.331686|3.282529|0.068493|2.163410|2.003945|1.802041|1.740516|1.842303|2.056631|1.774308|3.199723|2.842774|1.469174|5.370835|0.113880|0.101605|5.074578|6.885751|12.199528|17.452962|7.012801|0.047838|0.051906|0.055952|0.049887|0.054786|0.074563|0.070726|0.088569|0.092258|0.048658|0.055472|0.047152|0.044668|0.048744|0.059121|0.038278|0.041398|0.040049|0.119572|0.148251|0.211954|0.147699|0.500000| |1.786385|1.851997|2.122704|0.058052|2.445077|2.946955|0.080924|2.945611|2.414488|0.065464|2.921691|1.870098|0.048752|1.857370|2.035929|2.299700|3.329399|0.071418|2.184576|1.977265|1.773949|1.735565|1.871351|2.111923|1.741964|3.184075|2.792133|1.460384|4.817765|0.096492|0.090874|4.770316|5.707584|12.468782|17.612522|7.238135|0.045179|0.049769|0.052056|0.047642|0.050876|0.067159|0.065796|0.081567|0.091826|0.046897|0.052153|0.045962|0.044435|0.049921|0.062090|0.037946|0.041586|0.039823|0.123359|0.142838|0.146435|0.128390|0.300215|0.500000| |2.035997|2.157422|2.534309|0.068175|2.981077|3.752076|0.099212|3.888507|3.003921|0.079353|3.556560|2.224000|0.057352|2.223579|2.472988|2.848240|4.127343|0.087681|2.641612|2.374066|2.086082|2.013326|2.169598|2.494077|2.026585|3.678416|3.206191|1.649615|6.339433|0.130326|0.111846|6.646986|7.192420|12.349054|17.577135|5.684588|0.050911|0.056187|0.059371|0.054944|0.059593|0.082660|0.077849|0.110064|0.124499|0.055140|0.062838|0.053666|0.050867|0.056899|0.072685|0.042634|0.046912|0.044690|0.153368|0.232009|0.193292|0.143308|0.300339|0.303358|0.500000| |2.038305|2.006219|2.260372|0.062828|2.695425|3.135184|0.089799|2.766404|2.305136|0.064152|2.906465|1.836280|0.048818|1.741670|1.834185|2.067060|2.832734|0.060526|1.834820|1.716249|1.537835|1.472318|1.546335|1.724859|1.728388|3.213804|2.748019|1.446875|5.371554|0.100627|0.114848|5.057760|7.172700|12.409814|5.700528|17.590045|0.051197|0.057788|0.060938|0.050829|0.054197|0.072232|0.077674|0.073948|0.081001|0.044086|0.048729|0.040608|0.037914|0.040893|0.049513|0.037370|0.040725|0.040329|0.144658|0.119534|0.156322|0.233170|0.142033|0.147189|0.126967|0.500000| 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