Version2.1 2021-01-12T20:36:59Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1CCC(CC1)NC(=O)CSc2nc3c(c4c(s3)CCCC4)c(=O)n2CCC[NH+](C)C C22300106 RHF 6-31G(d) (6D,7F) CC1CCC(CC1)NC(=O)CSc2nc3c(c4c(s3)CCCC4)c(=O)n2CCC[NH+](C)C C01[X(C24H37N4O2S2)] 201 C1 562 C[NH+](CCCn1c(SCC(=O)NC2CCC(CC2)C)nc2c(c1=O)c1CCCCc1s2)C C[NH+](CCCn1c(SCC(=O)NC2CCC(CC2)C)nc2c(c1=O)c1CCCCc1s2)C CC1CCC(CC1)NC(=O)CSC2=Nc3sc4CCCCc4c3C(=O)N2CCC[NH+](C)C InChIKey=UBIPJKUYUSFUGI-UHFFFAOYSA-O InChI=1S/C24H36N4O2S2/c1-16-9-11-17(12-10-16)25-20(29)15-31-24-26-22-21(18-7-4-5-8-19(18)32-22)23(30)28(24)14-6-13-27(2)3/h16-17H,4-15H2,1-3H3,(H,25,29)/p+1 InChI=1/C24H36N4O2S2/c1-16-9-11-17(12-10-16)25-20(29)15-31-24-26-22-21(18-7-4-5-8-19(18)32-22)23(30)28(24)14-6-13-27(2)3/h16-17H,4-15H2,1-3H3,(H,25,29)/p+1/fC24H37N4O2S2/h25,27H/q+1 CC1CCC(CC1)NC(=O)CSc2nc3c(c4c(s3)CCCC4)c(=O)n2CCC[NH+](C)C C01[X(C24H37N4O2S2)] 201 C01 562 C[NH+](CCCn1c(SCC(=O)NC2CCC(CC2)C)nc2c(c1=O)c1CCCCc1s2)C C[C@@H]1CC[C@H](CC1)[NH][C](=O)CSC1=N[C]2SC3=[C]([C]2[C](=O)N1CCC[NH](C)C)CCCC3 C[C@@H]1CC[C@H](CC1)NC(=O)CSC2=N[C]3SC4=C(CCCC4)[C]3C(=O)N2CCC[NH](C)C InChIKey=ZSJHKTMYBLPSOX-QAQDUYKDSA-N InChI=1S/C24H37N4O2S2/c1-16-9-11-17(12-10-16)25-20(29)15-31-24-26-22-21(18-7-4-5-8-19(18)32-22)23(30)28(24)14-6-13-27(2)3/h16-17,27H,4-15H2,1-3H3,(H,25,29)/t16-,17- InChI=1/C24H37N4O2S2/c1-16-9-11-17(12-10-16)25-20(29)15-31-24-26-22-21(18-7-4-5-8-19(18)32-22)23(30)28(24)14-6-13-27(2)3/h16-17,27H,4-15H2,1-3H3,(H,25,29)/t16-,17-/f/h25H 3538.7922784204 -2092.7882488 1-A 28398.3245 128 434 562 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.05541 -92.04128 -20.62238 -20.60410 -15.86532 -15.72863 -15.65715 -15.65647 -11.45815 -11.45310 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96.5777 16.0978 99.8123 9.1818 190.8502 57.3080 73.7385 6.2733 41.3800 77.3777 7.0187 24.9779 26.3571 3.6936 90.8355 67.2625 38.0644 26.3079 30.0071 0.7482 0.7500 0.7494 0.7488 0.7347 0.7378 0.7049 0.6750 0.5391 0.7206 0.7196 0.4848 0.6529 0.2582 0.7361 0.3418 0.1143 0.3285 0.2020 0.2877 0.1105 0.0273 0.6487 0.6456 0.7385 0.3937 0.3505 0.2548 0.7041 0.6374 0.2201 0.3658 0.6536 0.4503 0.0979 0.5937 0.6689 0.7416 0.7322 0.0727 0.7497 0.5603 0.6963 0.7489 0.5317 0.1996 0.1504 0.6148 0.0953 0.1950 0.3175 0.3189 0.6896 0.4649 0.1579 0.3965 0.7295 0.7446 0.3147 0.7448 0.1442 0.1237 0.7403 0.2464 0.7474 0.2933 0.0648 0.4349 0.2501 0.2471 0.2971 0.6200 0.6244 0.7473 0.4614 0.7464 0.6986 0.2126 0.7362 0.2133 0.2473 0.7304 0.5199 0.1482 0.6666 0.3427 0.6826 0.2542 0.4185 0.3922 0.6908 0.6754 0.3343 0.2952 0.5938 0.6698 0.1673 0.6266 0.7445 0.6667 0.1857 0.1328 0.7094 0.6081 0.4613 0.6976 0.2907 0.5802 0.5949 0.3499 0.7445 0.4689 0.7497 0.3313 0.5932 0.6726 0.2886 0.6618 0.7500 0.7497 0.7415 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0.3954 0.8554 0.4536 0.1218 0.6061 0.4001 0.3962 0.4581 0.7654 0.7688 0.8554 0.6314 0.8548 0.8225 0.3507 0.8481 0.3516 0.3965 0.8442 0.6841 0.2581 0.8000 0.5105 0.8114 0.4053 0.5901 0.5635 0.8171 0.8063 0.5011 0.4559 0.7451 0.8022 0.2866 0.7704 0.8535 0.8000 0.3132 0.2345 0.8300 0.7563 0.6314 0.8219 0.4505 0.7344 0.7460 0.5184 0.8536 0.6385 0.8570 0.4977 0.7447 0.8042 0.4479 0.7965 0.8571 0.8569 0.8516 0.8228 0.7732 0.8571 0.6261 0.3807 0.7910 0.8404 0.8511 0.8551 0.8570 0.6671 0.7528 0.7541 0.7650 0.7967 0.7869 0.8206 0.8250 0.5232 0.8472 0.7061 0.7269 0.8570 0.7491 0.8538 0.8425 0.8561 0.7493 0.8346 0.8515 0.8569 0.6950 0.4570 0.3919 0.8519 0.7461 0.4819 0.4794 0.8340 0.4254 0.4439 0.8388 0.4248 0.6674 0.3904 0.4594 0.4362 0.3310 0.0100 0.6319 0.2260 0.8268 0.7144 0.8551 0.6885 0.1185 0.2198 0.6306 0.6656 0.3980 0.7263 0.6332 0.1237 0.8566 0.5376 0.0216 0.5606 0.0547 0.4287 0.8403 0.1166 0.8523 0.8563 0.8357 0.8480 0.8206 0.8448 0.8313 0.3985 0.2577 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 65 66 67 68 69 6 6 6 6 6 6 6 7 6 8 6 16 6 7 6 6 6 6 16 6 6 6 6 6 8 7 6 6 6 7 1 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 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 14.00307 1.00783 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 13833.2460 36876.7517 49059.3493 0.99993 -0.01181 -0.00066 0.01181 0.99992 0.00343 0.00062 -0.00344 0.99999 1 0.00626 0.00235 0.00177 0.13046 0.04894 0.03679 16.09 18.67 27.30 35.04 41.28 48.88 58.97 70.88 95.91 107.31 131.62 144.80 159.10 172.05 192.47 199.72 201.66 211.75 269.50 291.53 301.52 326.25 337.86 342.43 369.23 386.47 389.54 406.22 424.92 440.37 458.03 485.85 524.27 542.58 551.58 563.65 577.89 618.24 644.88 650.58 665.64 680.59 686.07 688.20 717.90 722.13 734.84 747.91 783.38 853.46 870.00 916.66 921.75 958.63 981.93 1023.46 1030.86 1082.39 1092.16 1177.31 1186.60 1197.36 1241.65 1242.95 1255.55 1274.87 1294.78 1308.59 1312.00 1332.66 1373.17 1391.77 1417.13 1440.85 1459.39 1475.05 1476.20 1478.22 1485.01 1506.11 1541.99 1549.02 1575.06 1587.46 1589.69 1597.82 1611.76 1642.91 1654.36 1661.20 1662.55 1679.85 1694.33 1712.79 1735.72 1746.33 1749.10 1801.90 1820.22 1826.20 1852.33 1853.25 1857.84 1868.14 1900.08 1920.51 1957.60 1961.22 1969.30 1982.87 1996.52 2002.76 2017.58 2028.97 2043.77 2070.67 2086.38 2092.31 2108.32 2112.93 2118.64 2122.15 2152.85 2159.03 2168.14 2179.30 2188.23 2196.90 2204.02 2205.47 2219.19 2234.02 2241.13 2255.58 2262.52 2273.27 2276.61 2280.22 2289.01 2302.97 2326.49 2333.64 2337.83 2342.65 2350.74 2355.84 2357.23 2357.71 2362.07 2364.10 2365.85 2366.26 2366.85 2374.98 2376.77 2379.02 2385.03 2389.65 2419.26 2469.92 2519.44 2567.15 2764.89 2785.08 4552.93 4565.27 4579.64 4585.73 4591.28 4603.50 4604.42 4606.73 4609.18 4613.88 4655.96 4656.92 4660.87 4661.23 4661.94 4675.73 4678.94 4686.93 4690.02 4692.77 4697.94 4700.61 4708.06 4708.75 4718.04 4718.89 4736.16 4742.09 4787.43 4798.57 4818.06 4838.34 4845.47 4846.13 4874.19 5311.39 5555.25 0.644181 0.675332 0.676276 0.576143 -2092.144068 -2092.112917 -2092.111973 -2092.212106 3.358477D-04 MUNgauss RevisionA2.0 retrievium 12-Jan-2021 DUDE CC1CCC(CC1)NC(=O)CSc2nc3c(c4c(s3)CCCC4)c(=O)n2CCC[NH+](C)C C22300106 RHF 6-31G(d) (6D,10F) C1 477.235795 |X|Y|Z| 86.103114 142.542648 25.805182 68.164283 23 6 7 16 18 3 2 |36.858105| |12.462431|36.858105| |7.525116|12.416905|36.858105| |4.882594|7.479352|12.439747|36.858105| |4.338969|6.396847|7.541240|12.460708|36.858105| |4.883657|7.489870|6.466611|7.550892|12.444580|36.858105| |7.518441|12.418658|7.577125|6.459752|7.537107|12.442129|36.858105| |3.287888|4.405714|5.003988|7.793147|13.035084|7.687901|4.975792|53.358707| |2.795763|3.522606|3.860718|5.192094|7.721708|5.809222|4.095295|19.341114|36.858105| |2.765880|3.389824|3.648573|4.534689|6.718995|5.467157|4.084543|11.513818|15.840068|73.516695| |2.332615|2.842145|3.077713|3.985630|5.006173|4.176248|3.163041|10.772394|12.497625|14.217340|36.858105| |2.014466|2.361530|2.497332|3.009690|3.691077|3.306336|2.659136|6.571900|7.056735|12.123582|10.514456|388.023441| |1.751329|2.021446|2.134287|2.536581|2.919579|2.658924|2.205661|5.032463|4.634973|7.562641|6.935367|76.539212|36.858105| |1.751568|2.031375|2.158799|2.596678|2.906768|2.625793|2.175500|5.079438|4.402164|6.788845|6.778038|51.148643|14.948811|53.358707| |1.569167|1.792011|1.894766|2.229565|2.426534|2.227830|1.893763|4.056194|3.354925|5.337820|4.582113|34.724717|8.502815|19.036213|36.858105| |1.432478|1.614067|1.694798|1.954095|2.124974|1.977086|1.709783|3.446411|2.856974|4.723706|3.676039|30.123808|6.979200|10.679567|13.982741|36.858105| |1.314937|1.468066|1.537878|1.752146|1.868735|1.751236|1.537316|2.967575|2.387494|3.959657|2.944926|22.859555|4.581988|7.083541|8.113857|13.150408|36.858105| |1.334574|1.493807|1.569664|1.796082|1.888238|1.764159|1.548284|3.004095|2.363603|3.851443|2.912021|21.268872|4.087811|6.793159|7.691457|8.254892|14.175435|36.858105| |1.511754|1.719315|1.821008|2.132811|2.243739|2.066752|1.779447|3.679816|2.878085|4.528706|3.710045|25.317053|4.942674|9.581575|11.058560|7.435674|7.364594|10.872458|388.023441| |1.235050|1.370112|1.435655|1.622583|1.680367|1.580845|1.406561|2.621042|2.021957|3.316320|2.406297|17.247924|3.092601|4.924996|4.818647|5.059776|7.514198|12.654748|47.567149|36.858105| |1.139151|1.252936|1.310079|1.464280|1.518909|1.434232|1.288500|2.338557|1.814309|3.027079|2.120080|15.608045|2.749442|4.161897|3.908897|4.449672|6.682199|7.659350|32.722007|12.425352|36.858105| |1.126463|1.237697|1.285582|1.432850|1.504785|1.432035|1.285016|2.315240|1.819076|3.066076|2.126800|16.165195|2.880810|4.218237|3.956439|4.895891|7.596331|6.762118|29.734038|7.542122|12.452081|36.858105| |1.197508|1.322567|1.378210|1.546766|1.644092|1.554953|1.384036|2.557344|2.047617|3.463003|2.437329|19.180570|3.583119|5.148500|5.023621|7.224310|12.614166|7.607258|33.482298|6.280549|7.517710|12.430790|36.858105| |1.430576|1.605961|1.679230|1.921699|2.125825|1.987839|1.722863|3.419089|2.914142|4.978431|3.679871|33.679801|7.809633|9.131849|7.940660|13.233027|7.307808|5.144816|34.525508|3.733870|3.538995|4.045760|5.871155|36.858105| |1.328928|1.476287|1.536733|1.733012|1.906810|1.798896|1.582151|2.997905|2.527314|4.410727|3.048025|27.537563|5.422767|6.421703|5.379656|8.031996|6.172132|4.360454|27.461262|3.397424|3.421215|4.094910|6.054052|15.818836|73.516695| |1.576417|1.787237|1.870558|2.164101|2.457270|2.283911|1.946327|4.032639|3.596684|6.201705|4.707030|50.571318|13.843267|11.090220|7.203987|7.981312|5.027158|4.090874|31.040872|3.102567|2.875261|3.146452|4.117089|13.506742|15.022585|53.358707| |1.547089|1.737455|1.803135|2.050060|2.353296|2.218892|1.914787|3.749545|3.370874|6.152957|4.060775|45.598921|7.654892|7.062575|4.644034|5.136013|3.799240|3.167438|23.274037|2.551366|2.441173|2.697922|3.413593|7.867675|12.890923|17.773096|36.858105| |1.504039|1.674324|1.758111|1.981067|2.248489|2.085757|1.830262|3.513567|3.130390|5.857574|3.602633|37.709105|5.660732|5.764620|3.875366|4.259062|3.348710|2.835091|20.557822|2.342447|2.286739|2.486820|3.107698|5.972747|10.774155|10.481095|12.433182|36.858105| |1.448089|1.592756|1.655278|1.829571|2.077936|1.962269|1.751750|3.150563|2.762576|5.327123|3.004438|29.611073|4.059993|4.395773|2.991446|3.244285|2.704730|2.339938|16.801082|1.997764|1.974869|2.153123|2.600954|4.229881|8.026811|6.814093|7.611715|12.501122|36.858105| |1.368955|1.490127|1.558558|1.703500|1.902598|1.785049|1.620546|2.833717|2.429410|4.679721|2.582320|23.722632|3.259447|3.715837|2.578975|2.784425|2.409441|2.113369|15.021456|1.841257|1.844390|1.988436|2.361364|3.447914|6.612435|5.196493|4.938161|7.545161|12.626404|53.358707| |1.305323|1.419745|1.488753|1.629675|1.800686|1.685133|1.530946|2.692313|2.284365|4.316014|2.465439|22.250034|3.204869|3.711193|2.638801|2.911527|2.549103|2.210845|15.419427|1.929078|1.956690|2.120436|2.540117|3.620653|7.171974|5.210536|4.755805|7.235073|9.329620|25.698723|0.500000| |1.447275|1.575188|1.667769|1.822000|2.031525|1.873697|1.707596|3.005778|2.581234|5.042904|2.683495|24.062228|3.163901|3.657560|2.491212|2.605033|2.258028|2.024265|14.698493|1.770474|1.755564|1.851982|2.171504|3.101720|5.678486|4.753799|4.213635|6.182070|7.597410|17.345999|0.259884|36.858105| |1.290259|1.389777|1.439376|1.550886|1.724512|1.643529|1.512698|2.522071|2.125728|4.108754|2.212617|19.625425|2.669526|3.117745|2.183235|2.346543|2.082643|1.847288|13.048257|1.638571|1.651713|1.785103|2.074353|2.825658|5.453453|4.161677|3.845007|4.966622|7.686927|17.357725|0.260135|7.736285|36.858105| |17.546192|8.771389|6.862356|4.522504|3.801306|4.046955|5.469766|4.074880|2.547887|4.426692|2.172675|13.331637|1.655376|2.271746|1.507279|1.376300|1.271845|1.297270|10.436062|1.207730|1.113904|1.096156|1.159791|1.366195|2.258760|2.032734|1.457798|1.421564|1.364709|1.764845|0.034507|1.370960|1.221817|0.500000| |17.547561|8.774915|5.473158|4.045146|3.800436|4.522426|6.856336|4.068550|2.591727|4.578971|2.192781|13.650408|1.677761|2.278779|1.506777|1.381727|1.271512|1.288649|10.325149|1.195365|1.104453|1.095827|1.162109|1.382115|2.289658|2.067928|1.496800|1.447160|1.400614|1.797555|0.034969|1.385984|1.251841|0.301731|0.500000| |17.528936|8.776774|6.796901|4.515863|4.165407|4.515365|6.792354|4.299641|2.752814|4.961980|2.280209|14.233569|1.727516|2.330712|1.533457|1.407894|1.290021|1.302135|10.427534|1.203410|1.115585|1.105736|1.179030|1.415865|2.347365|2.128487|1.547366|1.517843|1.471063|1.903650|0.036922|1.488440|1.321785|0.301540|0.301579|0.500000| |8.926035|17.473365|8.919701|6.849886|5.708304|6.863010|8.920008|5.803188|3.368972|5.596364|2.803790|16.378859|2.006088|2.778291|1.809531|1.621758|1.482024|1.518812|12.494470|1.397938|1.271524|1.252435|1.331564|1.599010|2.605925|2.407128|1.703398|1.626338|1.538710|1.951773|0.038125|1.503489|1.336592|0.213369|0.213434|0.173562|0.500000| |6.889190|8.809697|17.541034|8.852632|5.503014|4.847603|5.506126|5.649648|3.294096|5.490942|2.749803|16.021272|1.974132|2.746372|1.795217|1.608927|1.474565|1.514836|12.458835|1.397525|1.275579|1.244244|1.325043|1.582124|2.581335|2.370098|1.670043|1.633897|1.536670|1.982540|0.038875|1.556428|1.347839|0.206174|0.140863|0.168515|0.215050|0.500000| |6.944258|8.847711|17.492004|8.855572|6.791654|5.672902|6.816498|6.269323|3.759945|6.599163|2.966685|17.598688|2.093645|2.844446|1.835454|1.656221|1.500062|1.519711|12.418653|1.388562|1.276174|1.256109|1.351408|1.656690|2.709836|2.518851|1.803629|1.781059|1.689723|2.182011|0.042365|1.732908|1.483299|0.172153|0.141081|0.205838|0.174346|0.303672|0.500000| |4.505544|6.745185|8.851175|17.474427|8.859547|6.804428|5.672318|9.712546|4.756359|7.122464|3.905449|20.634581|2.516797|3.581254|2.274792|1.975827|1.783115|1.848324|15.774792|1.676539|1.499963|1.460663|1.566555|1.916322|3.059887|2.910149|1.999341|1.908017|1.752099|2.210750|0.043414|1.717577|1.480027|0.119641|0.107561|0.110783|0.202154|0.215419|0.173754|0.500000| |4.062055|5.464665|8.802974|17.540817|8.847910|5.502890|4.846049|9.686092|5.071005|7.858702|4.023744|21.592990|2.586001|3.625293|2.290844|2.003055|1.797155|1.846140|15.630384|1.666712|1.504584|1.463465|1.582970|1.962764|3.142471|2.998078|2.073208|2.030866|1.860788|2.377872|0.046599|1.887609|1.579131|0.108498|0.094576|0.108501|0.140213|0.212469|0.214833|0.302590|0.500000| |4.172959|5.656949|6.823212|8.892854|17.605511|8.897182|6.829875|12.665266|7.410113|13.522033|4.707439|26.388954|2.867683|3.794023|2.333932|2.073547|1.818849|1.818491|15.137636|1.617491|1.476492|1.468714|1.612561|2.106233|3.385276|3.333178|2.390264|2.329406|2.175447|2.732455|0.052371|2.176749|1.819549|0.100898|0.100904|0.117920|0.132430|0.140103|0.200925|0.174235|0.215703|0.500000| |4.504207|6.750812|5.683333|6.815494|8.874114|17.492971|8.832545|9.619171|5.248591|8.257335|4.097592|22.618065|2.643648|3.626958|2.274233|2.001701|1.782922|1.812939|15.234669|1.629339|1.466881|1.460282|1.576060|1.985924|3.181285|3.076335|2.163783|2.006388|1.873967|2.311699|0.044847|1.763360|1.564207|0.107590|0.119521|0.110735|0.202489|0.127173|0.131450|0.201115|0.139898|0.174509|0.500000| |4.060432|5.468902|4.850745|5.509291|8.861698|17.555787|8.801824|9.528750|6.191644|11.177811|4.383098|25.771457|2.822097|3.702535|2.289522|2.047149|1.796609|1.789614|14.799288|1.593038|1.451285|1.462707|1.598831|2.088922|3.365385|3.312882|2.402365|2.237007|2.121134|2.595029|0.049603|1.990023|1.758464|0.094571|0.108415|0.108424|0.140390|0.106811|0.127073|0.139840|0.123707|0.216330|0.302584|0.500000| |6.935807|8.846753|6.817786|5.672992|6.792310|8.849131|17.488191|6.240347|3.988348|7.471226|3.047505|18.780019|2.164694|2.866573|1.834786|1.671119|1.499708|1.499557|12.146828|1.361110|1.255401|1.255688|1.357323|1.700888|2.792915|2.624115|1.921595|1.860359|1.798439|2.279210|0.043697|1.780242|1.568341|0.140966|0.171935|0.205576|0.174326|0.139726|0.200892|0.131337|0.127067|0.201298|0.173498|0.214572|0.500000| |6.884827|8.812343|5.506334|4.841696|5.498234|8.845413|17.539383|5.610127|3.547463|6.327116|2.854439|17.517614|2.072395|2.777572|1.793369|1.630654|1.473451|1.482138|12.015578|1.352309|1.241885|1.243171|1.333697|1.645411|2.699966|2.515961|1.828174|1.735549|1.674050|2.103534|0.040571|1.612567|1.454661|0.140784|0.205991|0.168483|0.215013|0.123299|0.139742|0.126885|0.106699|0.140207|0.214466|0.212158|0.303697|0.500000| |3.112584|4.136515|4.672427|7.318220|8.999572|6.402566|4.405063|26.038066|9.445077|10.862832|7.626306|31.890081|3.694299|5.326102|3.141308|2.613351|2.267002|2.335279|20.843228|2.040042|1.795859|1.761980|1.933208|2.528309|3.910278|3.988069|2.655172|2.462003|2.185879|2.679260|0.052485|2.067366|1.752556|0.080462|0.079136|0.081425|0.116848|0.112794|0.115017|0.217792|0.189316|0.181751|0.186658|0.157467|0.109551|0.104627|0.500000| |2.300596|2.810971|2.966276|3.811380|4.665461|4.151696|3.117798|9.686225|8.794889|10.835154|17.633861|56.451621|6.514999|9.517144|4.787189|3.740360|3.026043|3.044933|28.339172|2.514194|2.179708|2.185870|2.479045|3.624413|5.309082|6.108778|3.794058|3.247877|2.744198|3.203564|0.062900|2.393684|2.048485|0.059673|0.060728|0.061571|0.078923|0.074253|0.077676|0.108533|0.103734|0.116139|0.119453|0.120466|0.081371|0.079648|0.214647|0.500000| |2.244246|2.711464|3.022706|3.945863|4.600917|3.700944|2.908962|9.463034|8.836517|11.108128|17.630995|56.400193|6.604232|9.779221|4.901137|3.816971|3.081452|3.101102|28.925493|2.553103|2.230361|2.198119|2.516964|3.690598|5.404288|6.171876|3.787892|3.495694|2.868526|3.437877|0.067940|2.659083|2.147485|0.058900|0.058103|0.060995|0.074448|0.076508|0.081055|0.107952|0.116102|0.121078|0.101285|0.103572|0.078092|0.072501|0.200132|0.302821|0.500000| |1.224295|1.357189|1.411445|1.590235|1.645913|1.564591|1.393406|2.556805|1.957648|3.205678|2.313261|16.430635|2.895011|4.587300|4.336714|4.435995|6.062517|8.935823|42.371132|17.517786|8.806475|6.577519|5.282629|3.386495|5.504092|3.922413|2.402200|2.176574|1.881694|2.349344|0.049865|1.655410|1.551269|0.033263|0.033045|0.033020|0.038662|0.038192|0.037758|0.045920|0.045032|0.043765|0.045105|0.043796|0.037292|0.037404|0.055497|0.068178|0.067253|0.500000| |1.244542|1.380312|1.455659|1.646875|1.685872|1.574684|1.405205|2.623407|2.001199|3.265585|2.364944|16.557930|2.901687|4.661742|4.385370|4.341121|5.750665|8.898437|45.391444|17.546989|8.803062|5.508132|4.850767|3.303645|5.329812|3.869355|2.358319|2.202740|1.885666|2.390095|0.050988|1.711413|1.563232|0.033951|0.033354|0.033650|0.039171|0.039580|0.039052|0.047400|0.047284|0.045004|0.045108|0.043737|0.037732|0.037400|0.057041|0.068294|0.070749|0.303730|0.500000| |1.084313|1.187012|1.237336|1.373853|1.416492|1.344497|1.215816|2.160906|1.661438|2.777987|1.914201|13.952135|2.392771|3.591600|3.247989|3.576733|4.895595|5.576887|27.229327|8.848619|17.559915|8.808059|5.482076|2.961861|5.146187|3.377090|2.152528|2.026677|1.780939|2.280075|0.049185|1.598908|1.517576|0.029532|0.029262|0.029466|0.033534|0.033593|0.033448|0.039184|0.039130|0.038207|0.038278|0.037691|0.032874|0.032651|0.046126|0.054813|0.055697|0.219665|0.206834|0.500000| |1.133583|1.244974|1.309762|1.463205|1.513349|1.418122|1.277264|2.326071|1.807855|3.026696|2.105039|15.537119|2.720771|4.087038|3.786070|4.309303|6.160472|6.687274|30.836847|8.849266|17.523000|8.852237|6.914110|3.499447|6.066063|3.882369|2.433391|2.334548|2.008052|2.585494|0.056410|1.819985|1.691350|0.030827|0.030434|0.030930|0.034960|0.035470|0.035581|0.041433|0.042036|0.041077|0.040069|0.039789|0.034700|0.034069|0.049431|0.059286|0.062145|0.174061|0.219857|0.303134|0.500000| |1.125795|1.237278|1.276788|1.421149|1.495314|1.435474|1.287104|2.297875|1.798981|3.026387|2.099183|15.871181|2.806986|4.115625|3.811063|4.576703|6.622106|6.208704|28.905919|6.947158|8.866696|17.518260|8.848261|3.816324|6.785970|4.134782|2.620439|2.365041|2.069654|2.576361|0.055496|1.758398|1.714492|0.030404|0.030527|0.030613|0.034904|0.034301|0.034535|0.040413|0.040063|0.040355|0.040873|0.040796|0.034816|0.034741|0.048705|0.060719|0.059597|0.196560|0.140120|0.211201|0.173793|0.500000| |1.063706|1.162023|1.205436|1.333740|1.398054|1.333694|1.205434|2.130747|1.671784|2.842869|1.925964|14.711545|2.555505|3.659069|3.297511|4.013342|5.550244|4.939144|24.180220|5.493701|8.818617|17.554723|8.847618|3.545365|6.643418|3.832058|2.492829|2.343236|2.065753|2.633009|0.057678|1.793717|1.754091|0.028778|0.028776|0.029077|0.032587|0.032453|0.032830|0.037633|0.037845|0.038082|0.037644|0.037860|0.032833|0.032449|0.044788|0.054568|0.055123|0.138038|0.123278|0.214775|0.210819|0.303422|0.500000| |1.176025|1.294798|1.356198|1.517809|1.609572|1.512406|1.352449|2.491806|2.000306|3.409773|2.359400|18.711124|3.432689|4.828332|4.529513|6.310220|8.943165|6.107341|29.634438|5.261794|6.537068|8.802143|17.518844|5.606653|10.867323|5.429880|3.387935|3.230115|2.695021|3.400298|0.076002|2.298702|2.176707|0.031668|0.031622|0.032290|0.036043|0.036255|0.037134|0.042437|0.043401|0.044175|0.042294|0.043148|0.037034|0.036091|0.051994|0.065475|0.068263|0.120759|0.122188|0.137422|0.194554|0.174066|0.219776|0.500000| |1.187696|1.309701|1.355806|1.515782|1.624633|1.550023|1.380132|2.518299|2.030316|3.465808|2.402511|19.363896|3.589075|4.956123|4.626429|6.687508|8.915324|5.802998|29.092814|4.858192|5.500617|8.802798|17.590356|6.224066|12.502489|5.849199|3.673570|3.260242|2.762924|3.360954|0.073700|2.221854|2.185118|0.031845|0.032124|0.032521|0.036579|0.036071|0.036985|0.042537|0.042829|0.044363|0.043580|0.044597|0.037660|0.037094|0.052526|0.068019|0.067644|0.122857|0.108237|0.123168|0.139712|0.219793|0.206618|0.305291|0.500000| |1.652348|1.865486|1.920653|2.186540|2.566486|2.446936|2.089797|4.096554|3.777027|7.072801|4.459597|54.179699|7.283248|6.711020|4.174191|4.308668|3.290624|2.852649|21.623039|2.335563|2.208860|2.408315|2.943004|5.798147|9.329154|12.460876|17.654047|8.783306|6.935701|6.175997|0.115656|4.016378|3.690508|0.042919|0.044504|0.045939|0.050637|0.048942|0.053395|0.058955|0.060763|0.072631|0.065874|0.074985|0.058374|0.055517|0.079310|0.115292|0.109859|0.061965|0.060491|0.054780|0.060763|0.065903|0.061910|0.080117|0.087314|0.500000| |1.442043|1.606255|1.652438|1.857433|2.108618|2.020241|1.763824|3.303275|2.884503|5.239230|3.394605|34.448221|5.829987|5.992754|4.223620|4.938369|3.817693|3.116621|21.949291|2.542996|2.478304|2.818370|3.586701|7.669270|14.773038|12.650632|17.671976|8.848126|6.956550|6.337607|0.127884|3.776476|3.822327|0.037837|0.038980|0.040002|0.043935|0.042739|0.045807|0.050642|0.051912|0.059168|0.055133|0.060624|0.049051|0.047220|0.065551|0.091030|0.088469|0.067026|0.064400|0.060870|0.067981|0.076712|0.072952|0.097933|0.111883|0.303253|0.500000| |1.408456|1.560129|1.642913|1.844965|2.055761|1.904248|1.684595|3.197035|2.775963|5.080265|3.212263|31.134255|5.091006|5.522280|3.943634|4.572299|3.664031|3.022437|21.122880|2.495911|2.484317|2.726500|3.489205|6.550794|12.972994|9.649425|8.932087|17.564754|8.848985|9.549121|0.220488|5.659376|4.705261|0.037216|0.037642|0.039406|0.042277|0.042783|0.046117|0.049671|0.052824|0.058766|0.051259|0.056049|0.047380|0.044438|0.063108|0.081778|0.089089|0.063549|0.064907|0.060640|0.071333|0.070718|0.071834|0.104046|0.101363|0.174064|0.215516|0.500000| |1.604118|1.796473|1.909797|2.171769|2.478317|2.250353|1.962962|3.909187|3.553890|6.717320|4.082944|43.618806|5.992545|6.086578|3.911222|4.063433|3.193043|2.783032|20.868863|2.301033|2.214923|2.349965|2.888584|5.267111|8.810040|9.566955|8.875838|17.600185|8.811657|9.086800|0.172406|6.686975|4.470232|0.042073|0.042570|0.045101|0.048190|0.049116|0.054021|0.057559|0.062454|0.072094|0.059565|0.066817|0.055672|0.051150|0.075269|0.098143|0.111708|0.059199|0.061007|0.054644|0.063227|0.061932|0.061213|0.083459|0.081928|0.210842|0.174216|0.300604|0.500000| |1.534590|1.689623|1.747524|1.925828|2.219910|2.109423|1.881323|3.340565|2.964979|5.893563|3.133029|31.215913|3.931576|4.248853|2.815201|2.955465|2.469154|2.179558|15.976510|1.870858|1.829096|1.974729|2.343880|3.716778|6.758573|6.194016|6.700636|8.745660|17.608342|12.401998|0.182136|7.088907|6.962859|0.039916|0.041270|0.043471|0.045079|0.044721|0.049780|0.050863|0.054061|0.065184|0.055424|0.064137|0.054040|0.049956|0.063470|0.078884|0.081309|0.049359|0.049317|0.046123|0.051377|0.053231|0.052453|0.066538|0.068785|0.199008|0.164798|0.172752|0.213131|0.500000| |1.368373|1.498573|1.543991|1.697089|1.916212|1.835083|1.645750|2.890577|2.494920|4.745928|2.721400|26.070869|3.720175|4.108818|2.868872|3.183804|2.699478|2.311892|16.265739|1.986781|1.984186|2.200980|2.657761|4.184709|8.355387|6.397803|7.097293|8.837913|17.616784|12.443417|0.221847|5.607785|7.430911|0.035875|0.036969|0.038487|0.040430|0.039956|0.043562|0.045490|0.047654|0.055194|0.049091|0.055096|0.046698|0.044054|0.056209|0.070743|0.071919|0.052292|0.051622|0.049841|0.055639|0.059145|0.059063|0.076039|0.080201|0.177037|0.213797|0.208920|0.173293|0.301263|0.500000| |1.531982|1.667020|1.759502|1.914120|2.160676|1.999359|1.825491|3.165975|2.740800|5.505421|2.772604|24.902012|3.104957|3.574044|2.388911|2.451646|2.118223|1.919648|14.146786|1.681862|1.652355|1.737198|2.018115|2.886911|5.183795|4.536045|4.049224|5.518514|6.982127|12.328851|0.181396|17.644716|6.969555|0.040074|0.040754|0.043993|0.043906|0.045283|0.051114|0.049719|0.054805|0.065095|0.051749|0.059499|0.053339|0.047837|0.059693|0.068255|0.075069|0.044014|0.045240|0.041984|0.047238|0.046227|0.046560|0.058518|0.057458|0.113113|0.099926|0.131948|0.169966|0.215227|0.144838|0.500000| |1.368962|1.477117|1.565157|1.693165|1.862202|1.721294|1.587757|2.720870|2.289973|4.432886|2.359545|20.328938|2.717108|3.228228|2.234295|2.339738|2.074527|1.873943|13.484816|1.662233|1.662155|1.745500|2.021109|2.723203|5.031072|4.039123|3.449526|4.713042|5.561625|12.314596|0.222291|17.651753|7.236065|0.036178|0.036425|0.039200|0.039156|0.040833|0.045293|0.044372|0.048850|0.055389|0.045073|0.050396|0.046046|0.041728|0.052252|0.059051|0.065549|0.043171|0.044837|0.042309|0.048096|0.045919|0.047360|0.059822|0.057181|0.091216|0.088481|0.127687|0.137909|0.144573|0.126689|0.299047|0.500000| |1.494971|1.639472|1.753837|1.939300|2.157543|1.958153|1.768296|3.240449|2.804318|5.413065|2.968875|26.765843|3.560462|4.102251|2.774837|2.882550|2.466284|2.210160|16.187019|1.913273|1.885690|1.973383|2.335592|3.425369|6.137658|5.298130|4.524140|6.936048|6.918645|12.258222|0.225095|17.688527|5.617320|0.039424|0.039567|0.042582|0.043530|0.045503|0.050508|0.050781|0.056333|0.064104|0.051262|0.057404|0.050987|0.046061|0.062071|0.072482|0.083224|0.049283|0.051566|0.047373|0.054649|0.051677|0.052718|0.069098|0.065567|0.116868|0.108525|0.180025|0.235768|0.173579|0.141658|0.299228|0.300027|0.500000| |1.235622|1.330187|1.369792|1.475662|1.637115|1.573078|1.446739|2.399880|2.011938|3.845731|2.114974|18.716502|2.610014|3.059976|2.172290|2.370086|2.120091|1.864933|12.997683|1.658389|1.684043|1.843225|2.143793|2.876064|5.693336|4.145921|3.852403|4.722096|7.105488|12.294736|0.224543|5.618404|17.654634|0.032539|0.033431|0.035015|0.035721|0.035706|0.038986|0.039380|0.041563|0.047556|0.041888|0.046766|0.041421|0.038855|0.046643|0.055114|0.056849|0.043749|0.043641|0.043023|0.047674|0.049344|0.050576|0.062323|0.063605|0.101432|0.111646|0.127659|0.112824|0.171397|0.229174|0.142408|0.146596|0.126053|0.500000| 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