Version2.0 2020-02-03T02:58:26Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 22-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)c1ccc(cc1)c2nc(on2)C[NH+]3CCC[C@@H](C3)C(=O)NCCCSc4ccc(cc4)Cl C38903644 RHF 6-31G(d) (6D,7F) CC(C)(C)c1ccc(cc1)c2nc(on2)C[NH+]3CCC[C@@H](C3)C(=O)NCCCSc4ccc(cc4)Cl C01[X(C28H36Cl1N4O2S1)] 210 C1 620 O=C([C@H]1CCC[NH+](C1)Cc1onc(n1)c1ccc(cc1)C(C)(C)C)NCCCSc1ccc(cc1)Cl O=C([C@H]1CCC[NH+](C1)Cc1onc(n1)c1ccc(cc1)C(C)(C)C)NCCCSc1ccc(cc1)Cl CC(C)(C)c1ccc(cc1)c2noc(C[NH+]3CCC[C@@H](C3)C(=O)NCCCSc4ccc(Cl)cc4)n2 InChIKey=QOBQXGTVNPFIGR-NRFANRHFSA-O InChI=1S/C28H35ClN4O2S/c1-28(2,3)22-9-7-20(8-10-22)26-31-25(35-32-26)19-33-16-4-6-21(18-33)27(34)30-15-5-17-36-24-13-11-23(29)12-14-24/h7-14,21H,4-6,15-19H2,1-3H3,(H,30,34)/p+1/t21-/m0/s1 InChI=1/C28H35ClN4O2S/c1-28(2,3)22-9-7-20(8-10-22)26-31-25(35-32-26)19-33-16-4-6-21(18-33)27(34)30-15-5-17-36-24-13-11-23(29)12-14-24/h7-14,21H,4-6,15-19H2,1-3H3,(H,30,34)/p+1/t21-/m0/s1/fC28H36ClN4O2S/h30,33H/q+1 CC(C)(C)c1ccc(cc1)c2nc(on2)C[NH+]3CCC[C@@H](C3)C(=O)NCCCSc4ccc(cc4)Cl C01[X(C28H36Cl1N4O2S1)] 210 C01 620 O=C([C@H]1CCC[NH+](C1)Cc1onc(n1)c1ccc(cc1)C(C)(C)C)NCCCSc1ccc(cc1)Cl O=C([C@H]1CCC[NH](C1)C[C@@H]1ON[C@@H](N1)c1ccc(cc1)C(C)(C)C)NCCCSc1ccc(cc1)Cl CC(C)(C)c1ccc(cc1)[C@H]2NO[C@@H](C[NH]3CCC[C@@H](C3)C(=O)NCCCSc4ccc(Cl)cc4)N2 InChIKey=CSHAGWIQSARVNM-OUIFVKKZSA-N InChI=1S/C28H40ClN4O2S/c1-28(2,3)22-9-7-20(8-10-22)26-31-25(35-32-26)19-33-16-4-6-21(18-33)27(34)30-15-5-17-36-24-13-11-23(29)12-14-24/h7-14,21,25-26,31-33H,4-6,15-19H2,1-3H3,(H,30,34)/t21-,25-,26+/m0/s1 InChI=1/C28H40ClN4O2S/c1-28(2,3)22-9-7-20(8-10-22)26-31-25(35-32-26)19-33-16-4-6-21(18-33)27(34)30-15-5-17-36-24-13-11-23(29)12-14-24/h7-14,21,25-26,31-33H,4-6,15-19H2,1-3H3,(H,30,34)/t21-,25-,26+/m0/s1/f/h30H 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|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|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| 6.0519 8.7139 9.7418 14.0226 19.3671 29.6982 31.3787 37.2006 43.1417 47.1861 60.0017 63.9780 89.8063 100.1454 109.2075 120.0065 123.5641 141.0006 155.1080 167.9608 208.6865 225.7841 236.1205 237.2602 248.7293 249.4319 264.1928 272.5264 297.2245 302.2842 320.7741 329.7014 337.6400 338.9003 359.7145 368.0594 369.0523 375.6817 380.0226 400.7283 411.4244 446.4054 451.3094 460.5700 467.1058 473.8674 486.5019 495.7191 502.9603 505.5623 536.0613 565.0974 583.6113 607.0528 617.6450 618.2887 626.4304 692.6871 698.3397 714.0053 770.5379 787.7425 788.6441 801.4695 807.9683 819.2405 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1.7145 1.7116 3.8980 2.4087 1.1945 3.4783 6.1628 2.0461 1.3626 1.3582 3.0953 1.3584 4.1865 3.1112 1.3570 2.5532 3.9380 1.4684 2.0721 1.3895 2.8859 1.8455 2.8784 2.1028 2.9894 8.0745 4.5512 2.2010 2.2002 2.0472 2.1927 1.2198 3.2775 2.2192 3.5146 1.1512 1.4360 1.1719 1.3754 2.6332 1.3907 2.6880 1.3053 1.2484 2.8776 1.2843 1.2001 2.0079 1.2750 1.4008 1.2691 1.1885 1.2495 1.4785 1.6741 1.3890 1.3787 1.5382 1.6078 2.4675 1.4130 1.2309 1.4579 1.4627 2.1328 1.4421 1.2183 1.5233 1.0992 1.1427 1.0489 1.0954 1.0989 1.0484 1.0573 1.0917 1.1157 1.3324 1.1013 1.1410 1.1034 1.0524 2.1444 1.0631 2.4258 2.0566 6.6140 6.5244 7.8532 5.3678 5.3374 11.1326 9.1454 1.0365 1.0847 1.0360 1.0637 1.0728 1.0376 1.0644 1.0583 1.0832 1.0856 1.0635 1.1040 1.1035 1.1037 1.0650 1.1028 1.1022 1.0914 1.1019 1.1036 1.1087 1.0604 1.1034 1.1116 1.1082 1.1127 1.0906 1.0909 1.0899 1.0898 1.0957 1.0960 1.0966 1.0931 1.0782 1.0792 0.0001 0.0003 0.0003 0.0004 0.0014 0.0027 0.0032 0.0041 0.0068 0.0079 0.0073 0.0155 0.0168 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0.1884 37.3221 14.5000 17.7490 0.4463 0.0831 3.0725 0.0446 38.8787 4.3933 0.0016 1.4361 6.4426 2.1827 1.7294 0.0263 12.2094 9.0152 0.5499 1.3371 26.0796 35.3528 0.7392 35.2400 29.5384 6.6627 29.0765 0.8076 5.5456 15.5386 7.3953 1.7736 4.7190 24.9402 62.6844 1.4615 69.4717 1.0328 13.8811 13.6843 33.7362 12.3696 9.6664 24.6380 0.4337 6.5764 15.5816 5.1273 50.3707 52.0409 111.6195 50.5354 30.0564 53.1799 99.0763 12.5035 32.4718 3.5157 42.6690 50.9785 73.6539 31.0808 1.1977 87.8385 2.4163 20.3744 0.0039 2.3375 24.6980 0.0399 2.0501 2.9977 4.8343 18.0453 4.2322 20.9256 10.3616 4.4897 69.7604 7.6030 7.8516 423.4400 31.5513 0.5785 18.2436 23.9597 66.9175 211.3395 255.9939 26.3118 6.8510 34.6025 19.7481 16.6314 14.7944 15.4329 19.3389 11.7850 28.2361 3.5918 3.9876 7.0117 44.1781 1.9128 14.8442 69.3867 7.7533 89.6701 16.2659 18.8916 1.6136 12.1246 7.5205 0.3336 1.6018 3.4500 2.2647 16.3523 0.2093 7.2922 6.2790 0.5382 9.1494 95.2059 38.8373 2.6467 2.4570 3.2534 1.1914 0.7151 2.1158 3.6800 1.0282 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1.00783 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 15032.9309 79725.5752 89728.9691 0.99988 0.01535 -0.00122 -0.01535 0.99988 -0.00140 0.00119 0.00142 1.00000 1 0.00576 0.00109 0.00097 0.12005 0.02264 0.02011 8.71 12.54 14.02 20.18 27.86 42.73 45.15 53.52 62.07 67.89 86.33 92.05 129.21 144.09 157.13 172.66 177.78 202.87 223.17 241.66 300.25 324.85 339.72 341.36 357.87 358.88 380.11 392.10 427.64 434.92 461.52 474.37 485.79 487.60 517.55 529.56 530.98 540.52 546.77 576.56 591.95 642.28 649.33 662.66 672.06 681.79 699.97 713.23 723.65 727.39 771.27 813.05 839.69 873.41 888.65 889.58 901.29 996.62 1004.76 1027.29 1108.63 1133.39 1134.68 1153.14 1162.49 1178.70 1186.27 1197.23 1211.37 1232.99 1262.60 1306.28 1310.76 1347.88 1358.59 1361.22 1368.37 1386.07 1397.19 1415.55 1435.53 1459.10 1470.06 1484.02 1486.58 1515.95 1522.75 1539.87 1542.96 1570.16 1577.29 1588.64 1591.26 1599.17 1605.01 1614.48 1627.12 1635.59 1640.18 1656.10 1659.47 1667.48 1681.72 1685.74 1714.54 1716.74 1721.02 1725.54 1752.89 1753.65 1760.46 1787.86 1793.78 1812.12 1833.58 1855.72 1876.05 1897.19 1908.08 1918.82 1942.68 1964.14 1970.87 1973.46 1988.17 2033.33 2036.80 2056.17 2063.91 2074.56 2092.14 2107.53 2110.89 2119.81 2143.27 2149.10 2159.46 2191.35 2209.02 2214.14 2220.47 2234.89 2240.04 2246.86 2254.02 2267.04 2273.88 2286.03 2298.92 2339.55 2346.31 2346.33 2349.90 2350.02 2350.34 2356.10 2357.10 2362.42 2373.22 2374.23 2377.16 2383.76 2385.49 2385.55 2399.75 2434.43 2478.84 2505.46 2525.37 2547.96 2571.85 2613.36 2652.69 2790.91 4611.72 4615.30 4615.73 4621.51 4623.14 4627.19 4650.67 4654.65 4675.01 4690.78 4698.13 4703.33 4707.61 4709.85 4716.04 4720.14 4722.01 4722.49 4727.95 4729.32 4732.10 4750.42 4781.38 4789.38 4804.15 4848.06 4872.93 4873.30 4873.58 4875.32 4899.41 4900.76 4902.61 4919.42 5238.24 5581.46 0.654777 0.688218 0.689162 0.579848 -2304.932425 -2304.898984 -2304.898040 -2305.007354 3.666410D-04 MUNgauss RevisionA2.0 retrievium 03-Feb-2020 DUDE CC(C)(C)c1ccc(cc1)c2nc(on2)C[NH+]3CCC[C@@H](C3)C(=O)NCCCSc4ccc(cc4)Cl C38903644 RHF 6-31G(d) (6D,10F) C1 527.224751 |X|Y|Z| 84.261725 39.728023 201.791734 87.742545 30 6 7 8 16 24 4 1 1 |36.858105| |12.357960|36.858105| |7.561008|12.357793|36.858105| |7.646884|12.401518|7.647007|36.858105| |7.584312|12.392823|7.585022|7.461613|36.858105| |6.229288|7.493049|6.229396|4.937697|13.603423|36.858105| |4.388645|4.982748|4.389712|3.826611|7.851367|13.845824|36.858105| |3.762799|4.378632|3.763923|3.693183|6.769886|7.936593|13.662089|36.858105| |4.007572|4.949164|4.008706|4.456936|7.866336|6.917196|7.959603|13.761104|36.858105| |5.275126|7.401975|5.276651|6.592209|13.703340|7.998102|6.896162|7.919887|13.742523|36.858105| |2.939474|3.274482|2.941157|2.893091|4.449867|5.086620|7.668053|12.984795|7.690480|5.078175|36.858105| |2.563167|2.847183|2.557399|2.642114|3.680113|3.877071|5.054262|7.575809|6.486497|4.406831|13.719481|53.358707| |2.248083|2.443093|2.246513|2.263852|3.041010|3.279407|4.202359|5.471636|4.592900|3.447322|9.228643|20.405622|36.858105| |2.259010|2.423740|2.262807|2.192426|3.008464|3.399315|4.493146|5.380111|4.176968|3.250802|9.029702|11.986138|14.730349|73.516695| |2.663269|2.880651|2.672535|2.520502|3.728209|4.462812|6.581758|7.842457|5.198841|3.942866|14.845052|11.655688|8.890124|24.429250|53.358707| |1.932402|2.081846|1.931650|1.975049|2.496213|2.620516|3.165783|3.884278|3.539343|2.815202|5.386794|10.533576|12.734682|14.049528|7.257469|36.858105| |1.919313|2.074966|1.899826|2.016549|2.465622|2.498535|2.924248|3.640135|3.568538|2.858891|4.644648|9.407840|7.846211|9.327948|5.715366|12.778573|53.358707| |2.074704|2.279476|2.071852|2.227315|2.746848|2.740918|3.211886|4.153755|4.215348|3.279384|5.243815|11.546382|7.992169|9.215887|6.010267|9.443514|25.609727|0.500000| |1.694743|1.831705|1.702104|1.804390|2.121714|2.128647|2.422320|2.902997|2.902002|2.427475|3.492413|6.316857|5.118787|6.985960|4.431202|7.652147|17.238841|0.257018|36.858105| |1.657632|1.791184|1.653201|1.800875|2.044989|2.005053|2.225787|2.649796|2.757404|2.362472|3.024968|5.281203|3.931300|5.575670|3.749560|4.980505|10.441493|0.198557|12.513979|36.858105| |1.659963|1.766130|1.609836|1.780649|2.005009|1.960948|2.162277|2.552437|2.663860|2.307146|2.873037|4.908196|3.614568|5.230571|3.566149|4.388370|8.848972|0.164378|7.542822|12.465329|36.858105| |1.871238|1.982287|1.775022|1.983073|2.290015|2.243158|2.504037|3.019558|3.154828|2.668983|3.434348|6.030527|4.305836|6.060907|4.161829|4.973270|10.357731|0.197929|6.464158|7.545526|12.383833|36.858105| |2.029957|2.175147|1.925144|2.201026|2.530380|2.429749|2.692965|3.314498|3.607991|3.030047|3.666435|6.491582|4.304725|6.010330|4.274186|4.621201|9.328032|0.209035|5.662049|6.772489|8.816138|17.514233|0.500000| |1.923120|2.036375|1.835536|1.986647|2.397904|2.418975|2.793052|3.410741|3.376028|2.762480|4.172223|7.751454|6.060320|8.031971|5.163674|7.686962|17.182934|0.258381|7.642976|6.515105|7.554333|12.475336|0.246439|36.858105| |1.805630|1.871013|1.667324|1.873138|2.126060|2.087040|2.295329|2.680894|2.777584|2.424892|2.965390|4.857734|3.502456|5.247192|3.682050|3.858793|6.791123|0.129678|4.420190|4.921644|7.569061|12.444448|0.244916|7.747088|36.858105| |1.713576|1.757017|1.577715|1.737994|1.989732|1.986536|2.196525|2.519427|2.536514|2.223640|2.823972|4.524082|3.399097|5.238182|3.618222|3.799746|6.249443|0.114171|4.093464|4.242263|5.982122|8.053962|0.165509|7.087380|15.840543|73.516695| |1.821387|1.878165|1.660741|1.912222|2.101927|2.025989|2.179089|2.516068|2.675979|2.401781|2.675389|4.244807|2.964602|4.538356|3.290475|3.132725|5.309030|0.107083|3.563316|4.109402|5.856538|7.813032|0.205990|5.245012|14.232561|15.059096|53.358707| |1.710292|1.733612|1.537703|1.765916|1.905469|1.842898|1.956111|2.198583|2.313564|2.129009|2.302795|3.520967|2.490256|3.942123|2.888822|2.598402|4.164792|0.083376|2.849388|3.182693|4.210162|4.984623|0.131630|3.911752|7.761450|12.031189|17.767329|36.858105| |1.509911|1.534278|1.380421|1.567679|1.667981|1.617066|1.708898|1.901169|1.989961|1.846315|1.996190|3.040536|2.185823|3.490236|2.537598|2.327505|3.701776|0.073270|2.657067|3.020634|3.971290|4.174607|0.107708|3.332355|5.802051|9.700184|10.435680|12.464662|36.858105| |1.418561|1.424987|1.286751|1.454908|1.530133|1.487520|1.557868|1.703685|1.771768|1.668292|1.770686|2.638084|1.903061|3.100554|2.275390|1.998793|3.077812|0.061090|2.204913|2.435813|3.021741|3.166259|0.083238|2.694181|4.106641|7.300856|6.765816|7.535529|12.469530|36.858105| |1.256457|1.267113|1.158091|1.295639|1.351101|1.315972|1.374552|1.493772|1.548139|1.464258|1.554762|2.309908|1.681561|2.756498|2.014340|1.784776|2.724531|0.053877|2.009976|2.228632|2.689748|2.663975|0.069838|2.306830|3.224014|5.772762|4.962914|4.600475|6.947106|10.445523|388.023441| |1.190900|1.189454|1.089862|1.214237|1.256679|1.226961|1.272658|1.365567|1.408666|1.346199|1.409657|2.060838|1.500181|2.493936|1.838590|1.570645|2.347933|0.046634|1.714137|1.858890|2.175472|2.195149|0.058298|1.962705|2.600070|4.718291|3.931248|3.586468|4.574364|6.840131|75.906521|36.858105| |1.148241|1.142136|1.050114|1.157409|1.207397|1.187726|1.235093|1.317836|1.346574|1.284762|1.365981|1.986208|1.457898|2.443905|1.797367|1.527052|2.253458|0.044465|1.640588|1.749894|2.029690|2.057635|0.054201|1.881785|2.428283|4.522655|3.559600|3.186181|3.859194|5.349866|49.063800|13.710524|36.858105| |1.095767|1.084359|0.999841|1.098154|1.139010|1.121678|1.160601|1.228586|1.252832|1.203383|1.266295|1.824144|1.337656|2.260018|1.672056|1.389886|2.029561|0.040211|1.472414|1.556877|1.775826|1.808725|0.048069|1.676390|2.096589|3.890352|3.053678|2.672988|3.074287|4.014313|33.412342|7.906557|13.762623|36.858105| |1.082142|1.069300|0.985843|1.088728|1.115964|1.093500|1.124156|1.186964|1.216970|1.177515|1.213750|1.741849|1.268709|2.143904|1.596727|1.309538|1.913540|0.038203|1.387091|1.472415|1.666914|1.699026|0.045699|1.568443|1.947449|3.551339|2.871577|2.495903|2.829220|3.641354|29.758948|6.883228|7.978654|13.770717|36.858105| |1.116211|1.106394|1.017281|1.134153|1.152915|1.122337|1.150597|1.219594|1.260225|1.222437|1.242098|1.788494|1.294117|2.174021|1.622935|1.334436|1.966742|0.039480|1.428137|1.532698|1.741139|1.770036|0.047970|1.611071|2.027576|3.634478|3.047741|2.666038|3.066253|4.001933|33.412437|7.906399|6.869740|7.909758|13.772364|36.858105| |1.171774|1.167901|1.070323|1.199637|1.223978|1.188561|1.223170|1.306872|1.355791|1.307980|1.335947|1.940732|1.402346|2.336760|1.737111|1.454773|2.168848|0.043489|1.580316|1.715982|1.978670|2.001566|0.054062|1.791244|2.323436|4.135655|3.550544|3.174834|3.843824|5.321725|49.068264|13.712263|7.947035|6.869945|7.978806|13.760912|36.858105| |1.015981|0.999337|0.925388|1.015915|1.036403|1.017583|1.041478|1.090960|1.115095|1.085258|1.110756|1.580520|1.151728|1.961070|1.467491|1.181553|1.709153|0.034207|1.236555|1.301035|1.451256|1.482175|0.040074|1.386344|1.671503|3.047236|2.436650|2.066976|2.264837|2.763609|21.533193|4.227197|4.776545|7.048289|10.954960|7.048523|4.776493|448.794386| |17.575750|8.685634|6.865395|5.509277|6.845812|6.811096|4.715976|3.805117|3.812419|4.705057|2.997408|3.481992|2.273230|4.142265|3.787193|1.940495|2.582853|0.056534|1.670428|1.616048|1.616061|1.821829|0.054338|1.898835|1.760926|3.000673|2.393335|1.655006|1.464025|1.378647|8.698444|1.162006|1.126439|1.076463|1.059689|1.087782|1.139422|8.003732|0.500000| |17.552211|8.734777|5.482568|6.909360|6.904700|5.652166|4.266454|3.806235|4.128266|5.351479|2.995495|3.599121|2.306776|4.081013|3.655986|1.986880|2.712472|0.059811|1.748497|1.720087|1.743260|1.987386|0.060132|2.028739|1.937667|3.259629|2.682151|1.856773|1.622057|1.524675|9.511877|1.268194|1.220437|1.163358|1.149475|1.187531|1.248364|8.641393|0.301740|0.500000| |17.555075|8.785978|6.905036|7.071312|5.506230|4.685769|3.537358|3.115178|3.321113|4.223911|2.524394|3.057701|1.996830|3.561673|3.153575|1.745107|2.368566|0.051980|1.556561|1.531975|1.534997|1.711561|0.051371|1.744383|1.660242|2.805779|2.293162|1.595729|1.421163|1.344401|8.520421|1.141806|1.100766|1.054762|1.045859|1.079579|1.128981|7.917667|0.302447|0.301360|0.500000| |6.904987|8.786007|17.554987|7.071614|5.506523|4.685788|3.537911|3.115825|3.321783|4.224739|2.525474|3.052345|1.995716|3.566440|3.161976|1.744549|2.348485|0.051921|1.562341|1.528434|1.494589|1.636073|0.049112|1.677390|1.549500|2.611363|2.114727|1.451167|1.310318|1.229292|7.900066|1.050784|1.012392|0.967372|0.957139|0.988253|1.036327|7.239397|0.170130|0.140794|0.207225|0.500000| |5.482755|8.735167|17.553730|6.909551|6.906084|5.652673|4.268344|3.808379|4.130539|5.354433|2.998643|3.584452|2.303916|4.093289|3.678383|1.985513|2.662202|0.059660|1.762470|1.711638|1.647452|1.802591|0.054479|1.862412|1.672967|2.802359|2.260836|1.526488|1.376298|1.276342|8.203366|1.080500|1.039176|0.987098|0.972597|1.005009|1.060077|7.314589|0.140067|0.122372|0.140797|0.301359|0.500000| |6.865749|8.685909|17.575762|5.509407|6.846493|6.811385|4.717379|3.806330|3.813442|4.706210|2.999250|3.473975|2.271564|4.149885|3.801992|1.939714|2.556509|0.056457|1.677673|1.611828|1.568468|1.730391|0.051651|1.812198|1.628744|2.763358|2.190033|1.493386|1.342192|1.253799|8.033109|1.065281|1.031093|0.982894|0.966575|0.993385|1.043210|7.296429|0.204351|0.140067|0.170141|0.302436|0.301750|0.500000| |6.941113|8.708027|5.506363|17.552398|6.720970|4.573260|3.701045|3.696812|4.586273|6.688644|2.922287|3.693867|2.309782|3.930169|3.429029|2.023566|2.850515|0.064357|1.864534|1.878624|1.881221|2.117112|0.065849|2.095173|2.016064|3.301704|2.835318|1.925149|1.692270|1.568297|9.842873|1.295516|1.230037|1.164930|1.156546|1.208819|1.281853|8.634811|0.140486|0.206282|0.174515|0.143016|0.140450|0.122214|0.500000| |5.506405|8.707984|6.941840|17.554051|6.720577|4.573018|3.701239|3.697212|4.586839|6.689535|2.923215|3.687050|2.308437|3.934359|3.436267|2.022838|2.826179|0.064275|1.871266|1.873999|1.829876|2.018794|0.062592|2.014958|1.879417|3.082043|2.603976|1.750073|1.562795|1.441238|9.177290|1.202567|1.143549|1.082110|1.072135|1.118862|1.187022|8.013905|0.122213|0.140444|0.143020|0.174547|0.206303|0.140495|0.300455|0.500000| |7.049386|8.841105|7.048631|17.571213|5.469697|4.073583|3.232055|3.078187|3.559269|4.802980|2.496610|3.128231|2.008060|3.481426|3.027502|1.775825|2.463191|0.054950|1.638230|1.639817|1.625470|1.792009|0.054739|1.788932|1.708489|2.834726|2.383200|1.636098|1.465164|1.371768|8.740361|1.159728|1.106694|1.054942|1.049690|1.093285|1.151041|7.902432|0.143265|0.171585|0.215945|0.215924|0.171558|0.143258|0.302687|0.302700|0.500000| |6.557300|6.977132|6.554925|4.505280|8.868620|17.750241|9.040441|5.667060|4.977814|5.665421|4.150038|4.436748|2.869082|5.395634|5.293069|2.344727|3.022542|0.066599|1.920393|1.809789|1.774998|2.008099|0.059691|2.161182|1.891549|3.232995|2.504848|1.696331|1.500498|1.393419|8.813772|1.164172|1.131445|1.073823|1.048153|1.072611|1.130086|7.872407|0.228873|0.154481|0.139220|0.139189|0.154422|0.228746|0.113584|0.113570|0.108948|0.500000| |3.798729|4.080813|3.799433|3.208928|5.612759|8.960986|17.738234|8.886510|5.654008|4.965692|7.064890|6.352672|4.169142|8.516430|9.994060|3.143405|3.826139|0.083699|2.340873|2.120127|2.059335|2.365977|0.069263|2.684249|2.186270|3.781860|2.797135|1.860492|1.636699|1.500164|9.455412|1.235780|1.206680|1.136322|1.097350|1.117529|1.184402|8.184169|0.117347|0.102173|0.087706|0.087717|0.102208|0.117375|0.086159|0.086162|0.077868|0.218815|0.500000| |3.377691|4.050878|3.379478|3.921541|5.626220|4.976643|5.650500|8.920741|17.738432|8.943190|7.081541|9.976927|4.924098|7.408542|6.530382|3.897417|5.638143|0.142797|3.322395|3.205075|3.071292|3.683716|0.121599|3.865588|3.127998|4.952129|4.092910|2.528867|2.164697|1.896298|11.748969|1.485738|1.411670|1.304867|1.265916|1.316319|1.426205|9.252013|0.088533|0.097887|0.080407|0.080439|0.097987|0.088576|0.114850|0.114898|0.089097|0.107973|0.124093|0.500000| |4.895214|6.814818|4.898208|7.615164|8.889052|5.659663|4.969309|5.668208|9.013204|17.777974|4.150553|5.263647|3.082413|5.076133|4.508948|2.612185|3.711198|0.087123|2.362125|2.356256|2.309185|2.644456|0.084579|2.651623|2.408189|3.877186|3.310805|2.157063|1.875980|1.693533|10.582625|1.366025|1.295278|1.212726|1.192134|1.244728|1.334366|8.809383|0.116058|0.140561|0.114384|0.114436|0.140723|0.116112|0.231394|0.231615|0.148433|0.123956|0.107829|0.218867|0.500000| |1.826678|1.935138|1.797744|1.830996|2.290016|2.423638|2.900974|3.427565|3.098856|2.531236|4.593181|8.010639|8.891049|12.697944|6.555634|17.637615|12.273094|0.183649|6.449781|4.436819|4.169942|4.714368|0.116212|7.443642|3.896533|7.199645|4.225641|2.625221|2.363265|2.042437|12.970325|1.609018|1.578040|1.434618|1.342253|1.358819|1.479261|9.716678|0.051261|0.052351|0.046009|0.045399|0.050866|0.050410|0.052222|0.051603|0.046092|0.061127|0.081538|0.092545|0.065367|0.500000| |1.825776|1.980800|1.868681|1.883269|2.350193|2.465697|2.943382|3.529485|3.236499|2.625689|4.713763|8.476485|9.001379|12.085294|6.509826|17.612448|12.296566|0.209668|7.530042|4.775659|3.953746|4.148313|0.108914|5.639951|3.278289|5.724639|3.731387|2.311774|2.115355|1.833530|11.842698|1.471036|1.431224|1.307631|1.235102|1.258388|1.367688|8.983530|0.050960|0.051611|0.046093|0.046995|0.053829|0.052204|0.053068|0.054011|0.047277|0.061811|0.081692|0.098072|0.068057|0.301430|0.500000| |1.585643|1.694052|1.581286|1.660479|1.945457|1.971393|2.238739|2.622678|2.575333|2.185837|3.151022|5.453649|4.609484|6.635103|4.142001|7.047705|12.409392|0.181162|17.605050|8.771545|6.771043|5.719971|0.131988|7.004899|4.288083|7.490728|4.625839|2.791852|2.649638|2.215264|14.498491|1.738703|1.678980|1.503501|1.405696|1.437632|1.589133|10.052422|0.043666|0.045448|0.040598|0.040502|0.045221|0.043545|0.047600|0.047491|0.042168|0.049938|0.060973|0.079882|0.058856|0.190840|0.194291|0.500000| |1.678509|1.831501|1.722344|1.800636|2.120564|2.132397|2.427116|2.897251|2.883948|2.417715|3.480495|6.183376|5.019032|6.987303|4.447619|7.174463|12.369688|0.222934|17.624717|8.787579|5.486839|4.863037|0.127287|5.594151|3.566680|5.923495|4.098358|2.473882|2.323876|1.967546|12.903656|1.567412|1.503171|1.360244|1.288000|1.325521|1.456955|9.286340|0.046012|0.047663|0.042889|0.043844|0.049968|0.047215|0.051173|0.052288|0.045439|0.053509|0.065288|0.091109|0.065221|0.160040|0.233420|0.300676|0.500000| |1.522899|1.641373|1.530127|1.655241|1.849392|1.814776|1.994649|2.327705|2.411688|2.107869|2.620573|4.404699|3.318463|4.889681|3.309364|4.139176|7.611041|0.144918|8.978182|17.580427|8.809651|5.490922|0.138805|4.890607|4.085518|6.504433|4.823193|2.868979|2.826120|2.314055|15.490063|1.815760|1.710419|1.522849|1.440497|1.499055|1.677106|10.230767|0.041285|0.043694|0.039372|0.039536|0.044076|0.041476|0.047721|0.047919|0.042207|0.045927|0.053123|0.076420|0.058636|0.105666|0.115487|0.214006|0.212391|0.500000| |1.750973|1.916090|1.763367|1.945894|2.193358|2.118876|2.336907|2.817074|3.015054|2.579041|3.152871|5.530301|3.905668|5.506072|3.805217|4.620742|9.363492|0.208978|8.884907|17.520443|8.806819|6.733769|0.197188|5.675752|4.472221|6.674189|5.387233|3.059961|2.861642|2.327581|15.075205|1.784219|1.669489|1.494692|1.426243|1.493046|1.667266|10.157323|0.047068|0.050401|0.044904|0.045178|0.051065|0.047388|0.056444|0.056816|0.048949|0.052712|0.060963|0.099779|0.072324|0.110294|0.124201|0.173156|0.215768|0.303952|0.500000| |1.549321|1.632943|1.497818|1.635602|1.841638|1.820680|2.007992|2.329466|2.383364|2.082768|2.635465|4.395011|3.352007|4.984902|3.357843|4.155624|7.720281|0.135545|6.761537|8.832340|17.546423|8.853326|0.173760|6.789324|7.144565|11.517914|7.275594|4.124496|4.070101|3.116624|20.085784|2.264320|2.134414|1.853226|1.719365|1.781278|2.027062|11.969513|0.042158|0.045126|0.039930|0.038765|0.042414|0.040775|0.047812|0.046429|0.041747|0.046206|0.053792|0.074593|0.057504|0.115690|0.104916|0.197869|0.138620|0.214805|0.173180|0.500000| |1.618740|1.720705|1.566360|1.757992|1.928813|1.862943|2.021027|2.361677|2.509839|2.220160|2.582443|4.286130|3.078833|4.563226|3.191921|3.557880|6.648496|0.131834|5.508127|8.855416|17.586788|8.800313|0.214903|5.504351|6.790847|9.286132|8.376107|4.450003|4.362758|3.238502|20.687925|2.305300|2.111595|1.837283|1.735781|1.834604|2.107635|12.050849|0.043492|0.047316|0.041826|0.040633|0.044527|0.042137|0.051837|0.050271|0.044772|0.046980|0.053169|0.080260|0.062690|0.093933|0.091043|0.138894|0.123316|0.210521|0.215241|0.303404|0.500000| |2.109829|2.220251|1.975827|2.139258|2.657343|2.707359|3.180139|3.944066|3.825955|3.066135|4.919187|9.123835|6.861884|9.106811|5.980350|7.247408|12.360407|0.224457|5.600126|4.891552|5.489422|8.779600|0.214847|17.656626|6.939100|11.630509|6.865354|3.875573|3.181244|2.629966|15.746730|1.918001|1.846719|1.657878|1.555842|1.594502|1.760777|11.096760|0.058090|0.062309|0.052622|0.049844|0.055246|0.054368|0.062974|0.059682|0.053147|0.066630|0.084672|0.120255|0.080339|0.196907|0.144102|0.144005|0.126604|0.107749|0.127479|0.139114|0.123078|0.500000| |1.767381|1.851329|1.685648|1.799078|2.150494|2.193141|2.518061|2.974866|2.887508|2.419921|3.614904|6.282935|5.238003|7.479817|4.707286|7.028994|12.352433|0.181428|7.006261|5.773131|6.826413|8.836157|0.173829|17.662285|7.161676|13.951550|6.514843|3.784307|3.332179|2.722399|16.766711|2.004735|1.944704|1.726019|1.598438|1.627941|1.808171|11.325017|0.048804|0.051624|0.044814|0.043045|0.047354|0.046515|0.052436|0.050473|0.045432|0.055243|0.068510|0.089041|0.064449|0.223327|0.149367|0.211791|0.143654|0.129434|0.132532|0.200306|0.139574|0.301035|0.500000| |1.875807|1.953915|1.721423|2.017144|2.181926|2.070468|2.208168|2.568887|2.801840|2.529916|2.687972|4.280545|2.918022|4.433243|3.252496|3.047809|5.235971|0.109570|3.555636|4.258218|5.879245|7.471983|0.229612|4.867286|9.434156|10.860281|26.068824|8.997052|6.379151|4.388292|24.009043|2.701568|2.418512|2.098664|2.004017|2.150668|2.498891|13.749793|0.049855|0.056365|0.048253|0.044746|0.048044|0.045967|0.061371|0.056451|0.051149|0.051961|0.057207|0.088954|0.072340|0.081787|0.074997|0.091485|0.084640|0.101574|0.119157|0.139162|0.184175|0.129482|0.118712|0.500000| |1.779752|1.794486|1.579392|1.846273|1.954324|1.868866|1.957507|2.186785|2.332898|2.183535|2.241233|3.373121|2.344895|3.739606|2.790963|2.391326|3.782838|0.077399|2.573933|2.864811|3.619822|4.258650|0.119489|3.430097|5.843268|9.004980|12.586560|17.587227|8.802916|6.860333|30.357415|3.505685|3.066191|2.628005|2.515291|2.732325|3.235122|16.821201|0.047497|0.054090|0.046267|0.041557|0.043386|0.042381|0.056467|0.050583|0.047618|0.047809|0.051355|0.070514|0.062094|0.066342|0.059509|0.069168|0.063226|0.072065|0.078547|0.096075|0.107452|0.096642|0.090308|0.227212|0.500000| |1.716947|1.724107|1.529952|1.734417|1.901159|1.861861|1.988256|2.218013|2.291912|2.100987|2.341113|3.542770|2.538938|4.069147|2.973697|2.636325|4.121491|0.081314|2.767854|2.976096|3.846533|4.663468|0.119825|3.941653|7.361707|13.453420|12.582199|17.639787|8.817765|6.857023|30.324469|3.504107|3.246589|2.739873|2.515287|2.621028|3.055004|16.822890|0.046514|0.051865|0.044380|0.040055|0.041979|0.041544|0.052355|0.047427|0.044666|0.047798|0.052976|0.068658|0.058375|0.075399|0.064600|0.076513|0.066802|0.074490|0.078573|0.107602|0.107578|0.111529|0.108906|0.181574|0.302734|0.500000| |1.455230|1.483525|1.343679|1.504603|1.621136|1.585294|1.689726|1.882843|1.948528|1.790532|2.007260|3.082591|2.255032|3.594574|2.574592|2.454522|3.914262|0.075823|2.858824|3.241405|4.366665|4.414373|0.108338|3.557427|6.192353|11.120229|9.532746|8.892581|17.558786|8.853977|46.512280|4.275757|3.782626|2.990998|2.688692|2.840135|3.491930|17.417126|0.039405|0.043170|0.037987|0.035349|0.037314|0.036447|0.044782|0.041787|0.039028|0.040899|0.045242|0.058886|0.050156|0.070088|0.061998|0.080856|0.068622|0.084958|0.082834|0.131517|0.130525|0.091938|0.102131|0.157432|0.173656|0.212640|0.500000| |1.491781|1.526720|1.376104|1.574983|1.652724|1.588641|1.669766|1.862662|1.972546|1.839789|1.942417|2.968099|2.115405|3.360392|2.452241|2.253385|3.621916|0.072637|2.648825|3.103453|4.050461|4.068921|0.108131|3.168231|5.205090|8.191907|9.530776|8.860771|17.531170|8.851867|46.735398|4.279043|3.504619|2.845902|2.687437|2.982250|3.768234|17.406316|0.039968|0.044390|0.039121|0.036351|0.038275|0.036990|0.047244|0.043878|0.040929|0.040881|0.044195|0.060021|0.052429|0.062640|0.057470|0.072390|0.064813|0.081551|0.082907|0.112180|0.130672|0.083020|0.086347|0.184528|0.211233|0.173526|0.302439|0.500000| |1.452225|1.452813|1.306422|1.493282|1.548859|1.495268|1.552351|1.690815|1.772274|1.686767|1.734700|2.562378|1.827989|2.987378|2.217800|1.892109|2.900607|0.058343|2.061501|2.274881|2.767034|2.936624|0.079411|2.507785|3.703130|6.396216|6.274559|6.864642|8.806584|17.581991|56.323045|6.490699|4.916394|3.918254|3.751847|4.305562|5.752533|22.954196|0.039027|0.043546|0.038354|0.034783|0.035900|0.035237|0.044958|0.040960|0.039221|0.038944|0.041343|0.052533|0.047863|0.053259|0.048306|0.056886|0.051577|0.059865|0.061412|0.077415|0.082748|0.068944|0.069197|0.118020|0.204788|0.169512|0.173286|0.211060|0.500000| |1.416532|1.413769|1.277275|1.431229|1.520974|1.490748|1.566621|1.704070|1.752904|1.646673|1.778807|2.633000|1.914744|3.146297|2.305145|2.006094|3.044031|0.059939|2.156754|2.328923|2.863777|3.058323|0.079454|2.687082|4.010622|7.527444|6.266897|6.854974|8.819750|17.588406|56.308178|6.498693|5.802451|4.329162|3.756220|3.909077|4.896141|22.976070|0.038452|0.042328|0.037234|0.033868|0.035071|0.034732|0.042766|0.039204|0.037496|0.038915|0.042152|0.051716|0.046063|0.057603|0.050899|0.060762|0.053453|0.061228|0.061404|0.083077|0.082785|0.073739|0.076557|0.109805|0.169228|0.204208|0.212208|0.173377|0.301727|0.500000| |1.151740|1.147418|1.056251|1.157076|1.219306|1.205306|1.260676|1.347597|1.369200|1.297969|1.407735|2.053768|1.518895|2.546987|1.860295|1.602651|2.360569|0.046196|1.721862|1.826114|2.128784|2.152584|0.055968|1.982736|2.558211|4.867199|3.672948|3.263942|3.967036|5.281900|46.868910|8.913418|17.735811|8.942858|5.668535|4.951824|5.650273|31.643540|0.031481|0.033956|0.030579|0.028210|0.029060|0.028882|0.034083|0.031783|0.030654|0.031873|0.034323|0.039897|0.036190|0.046347|0.041661|0.049380|0.043631|0.049613|0.047940|0.063054|0.060951|0.053824|0.057613|0.068345|0.084752|0.094193|0.112937|0.097621|0.126664|0.167700|0.500000| |1.062674|1.049385|0.970399|1.057982|1.102296|1.090617|1.129888|1.191397|1.207986|1.159549|1.230593|1.766020|1.301313|2.211085|1.634152|1.351791|1.957596|0.038668|1.418752|1.486209|1.683486|1.716837|0.045488|1.611843|1.977631|3.707178|2.835206|2.443747|2.750239|3.450602|27.639215|5.629225|8.900805|17.750085|8.924319|5.639186|4.953013|53.866416|0.029101|0.031279|0.028420|0.026084|0.026589|0.026576|0.031083|0.028929|0.028257|0.029085|0.030853|0.034819|0.032338|0.038929|0.035380|0.040418|0.036494|0.040415|0.039539|0.048989|0.047951|0.044378|0.046350|0.053989|0.066296|0.070547|0.075611|0.070414|0.092485|0.105395|0.215020|0.500000| 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