Version2.2 2021-02-27T23:02:26Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 23-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)CCNC(=O)CSc1nnc(n1C2CC2)c3c[nH]c4c3cccc4 C53597167 RHF 6-31G(d) (6D,7F) CC(C)(C)CCNC(=O)CSc1nnc(n1C2CC2)c3c[nH]c4c3cccc4 C01[X(C21H27N5O1S1)] 159 C1 478 O=C(CSc1nnc(n1C1CC1)c1c[nH]c2c1cccc2)NCCC(C)(C)C O=C(CSc1nnc(n1C1CC1)c1c[nH]c2c1cccc2)NCCC(C)(C)C CC(C)(C)CCNC(=O)CSc1nnc(n1C2CC2)c3c[nH]c4ccccc34 InChIKey=YMPTXZQKOQCYHG-UHFFFAOYSA-N InChI=1S/C21H27N5OS/c1-21(2,3)10-11-22-18(27)13-28-20-25-24-19(26(20)14-8-9-14)16-12-23-17-7-5-4-6-15(16)17/h4-7,12,14,23H,8-11,13H2,1-3H3,(H,22,27) InChI=1/C21H27N5OS/c1-21(2,3)10-11-22-18(27)13-28-20-25-24-19(26(20)14-8-9-14)16-12-23-17-7-5-4-6-15(16)17/h4-7,12,14,23H,8-11,13H2,1-3H3,(H,22,27)/f/h22H CC(C)(C)CCNC(=O)CSc1nnc(n1C2CC2)c3c[nH]c4c3cccc4 C01[X(C21H27N5O1S1)] 159 C01 478 O=C(CSc1nnc(n1C1CC1)c1c[nH]c2c1cccc2)NCCC(C)(C)C O=C(CS[C]1[N][N][C]([N@@]1C1CC1)[C]1=CN[C]2[C]1[CH][CH][CH][CH]2)NCCC(C)(C)C CC(C)(C)CCNC(=O)CS[C]1[N][N][C](N1C2CC2)C3=CN[C]4[CH][CH][CH][CH][C]34 InChIKey=YMPTXZQKOQCYHG-UHFFFAOYSA-N InChI=1S/C21H27N5OS/c1-21(2,3)10-11-22-18(27)13-28-20-25-24-19(26(20)14-8-9-14)16-12-23-17-7-5-4-6-15(16)17/h4-7,12,14,23H,8-11,13H2,1-3H3,(H,22,27) InChI=1/C21H27N5OS/c1-21(2,3)10-11-22-18(27)13-28-20-25-24-19(26(20)14-8-9-14)16-12-23-17-7-5-4-6-15(16)17/h4-7,12,14,23H,8-11,13H2,1-3H3,(H,22,27)/f/h22H 2574.8265991304 -1555.5430937 1-A 23801.7285 106 372 478 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.95816 -20.52717 -15.62959 -15.61335 -15.58495 -15.56228 -15.55989 -11.35246 -11.31638 -11.30026 -11.29197 -11.28109 -11.26700 -11.26453 -11.25975 -11.24670 -11.24423 -11.24233 -11.23486 -11.22955 -11.22833 -11.22570 -11.22462 -11.22046 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0.9063 1.3167 1.1110 1.3247 4.7873 2.0984 1.6337 2.3147 1.2328 1.3747 1.3380 2.7347 1.1662 1.5519 1.4652 1.1393 1.1149 2.6049 1.4149 2.3599 1.7951 1.5978 2.4368 2.0315 3.4704 2.5205 3.0538 1.6651 4.4086 1.7955 3.1892 1.5397 3.4640 2.5442 2.2313 1.8238 1.8236 4.7721 2.2270 1.8574 5.2642 1.6597 1.6699 3.6186 1.6431 1.6664 1.6510 1.7061 1.7169 1.7274 4.2340 1.7288 2.5562 1.7974 8.5730 13.7408 3.5821 11.1035 14.8750 11.5354 21.8091 6.3067 6.2303 6.2452 6.2975 6.7120 6.6076 6.8832 6.8888 6.9033 6.9191 6.9315 6.6700 6.9429 7.0803 7.1811 6.8779 6.9807 7.1158 7.2076 7.2987 7.3913 7.6727 7.5258 7.7146 7.7482 9.5802 9.7975 0.7922 2.6581 0.5156 3.7411 4.3730 2.3645 1.1552 2.8972 0.4076 10.8551 6.9304 0.7824 0.7223 2.2929 14.1056 1.4468 2.1761 0.9501 13.0479 2.2605 0.0339 13.5814 6.2021 0.8011 0.1158 0.6911 0.0762 4.8667 57.9852 24.6270 72.2015 26.2026 3.0069 0.0058 0.1502 9.3777 9.4233 0.8522 7.3688 5.3387 1.7586 3.1143 1.6459 21.6401 5.5619 1.7317 11.1953 21.7701 3.3491 5.1140 12.5178 15.3230 73.9724 0.1440 5.6209 4.8254 3.5723 14.1695 0.2034 10.4488 0.6713 2.3891 12.4690 0.0125 1.5925 9.3466 37.6691 0.0059 3.3767 0.2292 1.7535 0.2012 5.7084 1.7875 3.0999 5.5291 3.5183 9.6245 6.2936 0.5878 67.0707 13.9010 2.1590 2.6023 22.5434 9.7787 0.4055 0.2479 2.6515 1.5851 16.3779 206.7134 2.8593 53.0007 3.0885 41.2413 10.5023 15.7464 0.6863 15.1945 4.3834 11.7783 0.8287 4.1386 35.5837 23.4761 4.8558 6.5344 116.8628 2.9814 2.0127 84.0518 19.3591 1.9730 20.2421 0.0004 3.6463 0.5377 8.5458 3.4769 3.3340 25.8288 10.0799 5.9523 10.7365 43.9409 158.9080 551.0352 59.7917 75.2895 28.7621 254.5741 26.1567 37.2663 38.6634 10.0364 20.6607 26.0652 0.9464 2.8937 40.7125 134.0369 44.0727 10.5587 84.8243 34.6084 0.7011 13.7110 7.7170 12.1723 0.5672 26.3822 42.9280 1.0386 3.6266 12.8004 2.4029 38.4154 117.0072 0.7948 1.8239 2.6660 1.2397 0.3736 2.4475 0.5001 0.9894 2.0199 0.1937 1.2950 0.5211 1.3438 1.7802 0.0888 2.1481 1.8834 0.3914 1.1603 0.2111 0.0214 1.5658 0.9169 0.1834 0.0916 0.7828 0.2712 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0.3926 0.5559 0.5093 0.3757 0.0781 0.8570 0.0115 0.8565 0.2581 0.8571 0.8018 0.8571 0.7684 0.8541 0.1669 0.8029 0.8570 0.8569 0.5738 0.5822 0.1354 0.8014 0.8340 0.2717 0.8541 0.2771 0.8137 0.5559 0.2517 0.3690 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 6 6 6 6 6 6 7 6 8 6 16 6 7 7 6 7 6 6 6 6 6 7 1 6 6 6 6 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 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 14.00307 12.00000 14.00307 12.00000 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 1.00783 1.00783 1.00783 1.00783 4264.7584 38431.1327 41646.3640 0.99996 0.00857 -0.00098 -0.00857 0.99996 0.00183 0.00100 -0.00182 1.00000 1 0.02031 0.00225 0.00208 0.42318 0.04696 0.04333 15.72 29.91 40.00 46.30 53.64 101.65 105.58 108.77 140.45 159.51 160.71 180.57 198.09 219.46 238.09 271.66 307.01 349.29 362.36 364.13 395.12 424.90 433.35 438.72 489.28 516.67 520.53 534.89 543.06 547.88 603.44 642.99 645.82 681.40 684.82 690.18 725.61 790.03 807.09 856.08 911.16 934.83 936.93 990.57 1019.20 1033.78 1100.73 1115.25 1155.59 1166.57 1203.24 1214.55 1217.49 1227.16 1231.86 1274.55 1316.62 1371.87 1382.31 1389.22 1418.65 1424.98 1457.97 1464.48 1474.49 1502.53 1511.08 1522.02 1529.02 1544.87 1561.76 1598.77 1604.10 1612.05 1641.25 1676.73 1713.51 1722.76 1732.32 1737.97 1743.04 1745.62 1771.14 1779.33 1794.44 1815.78 1869.58 1884.00 1895.41 1900.38 1908.27 1919.71 1948.43 1963.69 1982.43 2002.40 2014.44 2029.53 2042.62 2099.42 2105.36 2114.77 2150.23 2160.89 2216.23 2240.99 2243.35 2255.59 2259.88 2284.85 2298.16 2307.10 2316.38 2339.93 2345.92 2348.36 2353.90 2360.71 2384.94 2386.35 2392.00 2396.80 2397.37 2416.85 2425.62 2438.22 2453.02 2546.28 2589.29 2629.14 2809.15 4574.64 4595.87 4600.13 4614.88 4620.87 4674.12 4682.00 4684.02 4688.78 4699.18 4699.23 4702.02 4713.96 4738.87 4774.63 4782.72 4793.38 4807.06 4826.06 4844.83 4866.20 4906.65 4914.33 4927.50 4978.80 5584.61 5642.09 0.492573 0.518116 0.519061 0.433161 -1555.050521 -1555.024977 -1555.024033 -1555.109932 2.881067D-04 MUNgauss RevisionA2.1 retrievium 27-Feb-2021 DUDE CC(C)(C)CCNC(=O)CSc1nnc(n1C2CC2)c3c[nH]c4c3cccc4 C53597167 RHF 6-31G(d) (6D,10F) C1 397.193632 |X|Y|Z| 145.305625 47.219720 21.408269 52.762957 17 6 7 13 4 |36.858105| |12.396983|36.858105| |7.587987|12.396960|36.858105| |7.625391|12.394705|7.625422|36.858105| |7.496045|12.329133|7.495959|7.663063|36.858105| |6.093637|7.286137|6.093225|4.875967|12.473026|36.858105| |4.294672|4.937054|4.294487|3.879123|7.825675|13.096068|53.358707| |3.496833|3.779211|3.495743|3.070657|5.123663|7.779306|19.253439|36.858105| |3.427708|3.561032|3.425514|2.849122|4.469228|6.854063|11.572109|15.870298|73.516695| |2.818536|3.041080|2.818236|2.628446|3.961889|5.028101|10.774029|12.539307|14.154538|36.858105| |2.348997|2.453582|2.348166|2.144679|2.975285|3.683481|6.528725|6.990926|11.840655|10.514880|388.023441| |2.027057|2.130460|2.027190|1.927753|2.549477|2.951980|5.098801|4.683362|7.517560|7.111221|76.950325|36.858105| |2.020771|2.148094|2.018304|1.977246|2.594607|2.908571|5.077932|4.363205|6.661308|6.687540|49.784243|14.874906|53.358707| |1.770105|1.871512|1.771735|1.750482|2.203940|2.411203|4.018359|3.327716|5.288038|4.526496|35.143496|8.930675|19.009516|53.358707| |1.665194|1.743580|1.669573|1.621160|2.022828|2.237555|3.650464|3.081588|5.089869|4.028846|35.088623|8.850725|12.074012|20.185183|36.858105| |1.780526|1.854614|1.784164|1.695201|2.160681|2.457705|4.042937|3.574889|6.037101|4.749242|49.237101|13.958090|11.898045|11.908679|13.843752|53.358707| |1.688507|1.739413|1.693796|1.581759|1.989834|2.278739|3.631619|3.220849|5.730468|3.946483|42.441900|7.618884|7.283197|7.250611|7.482322|18.081326|36.858105| |1.549660|1.575639|1.529015|1.443661|1.775727|2.005686|3.122841|2.694868|4.837800|3.167311|30.959819|5.183257|5.629781|5.895930|5.849691|10.230620|12.724402|36.858105| |1.730357|1.750576|1.697838|1.579285|1.987232|2.300478|3.608804|3.229215|5.953312|3.774549|40.926433|5.960695|5.959658|5.642206|5.142866|10.242814|12.699488|12.784449|36.858105| |1.476561|1.538987|1.482820|1.445181|1.753166|1.910448|3.028814|2.496021|4.201009|3.079020|25.894889|5.316693|7.283261|10.705617|13.029443|10.224707|6.011450|5.593268|4.375198|36.858105| |1.379710|1.434229|1.396745|1.345451|1.614680|1.761636|2.745175|2.261190|3.885746|2.699387|23.038133|4.311993|5.574344|7.106494|7.511993|8.171061|5.860475|5.794796|4.263673|14.058235|36.858105| |1.264609|1.311394|1.276951|1.241049|1.462605|1.575533|2.423057|1.959762|3.369839|2.290185|18.800700|3.352971|4.496056|5.626886|5.213324|5.799637|4.185553|4.399213|3.370866|8.544485|13.967640|53.358707| |1.197837|1.239995|1.213354|1.174777|1.373054|1.476257|2.248027|1.811152|3.139814|2.081736|17.023173|2.924527|3.881467|4.665026|4.175708|4.931964|3.704730|3.952425|3.075392|5.991473|9.082443|26.125575|0.500000| |1.264551|1.311845|1.267206|1.250013|1.466276|1.564668|2.413043|1.929264|3.276307|2.266937|18.043377|3.260192|4.583048|5.947425|5.152616|5.404008|3.659821|3.810311|3.046696|8.342289|8.536401|18.880126|0.250494|36.858105| |1.384142|1.440118|1.380558|1.368744|1.629125|1.744302|2.734722|2.198080|3.679459|2.655384|21.082328|4.049836|5.924327|8.480334|7.365313|6.762360|4.187117|4.177247|3.403868|13.135694|8.481983|11.597381|0.165608|13.638841|36.858105| |1.394225|1.450727|1.377487|1.390907|1.643561|1.737297|2.724561|2.151733|3.556157|2.593650|19.664334|3.698438|5.730502|8.027686|5.818587|5.660193|3.448477|3.423442|2.954183|7.259599|5.246634|7.294889|0.118656|7.895675|13.611655|36.858105| |1.280958|1.328925|1.263655|1.284735|1.488664|1.556620|2.402653|1.871592|3.114607|2.196673|16.404162|2.920110|4.421238|5.662217|4.117490|4.374025|2.804916|2.848836|2.480908|5.009387|4.175207|6.331729|0.109471|6.948801|7.984708|13.860921|36.858105| |1.184410|1.226101|1.175085|1.184867|1.361261|1.425055|2.175772|1.697512|2.859595|1.961395|14.852324|2.579575|3.771446|4.682381|3.576406|3.935944|2.631766|2.727546|2.334527|4.545981|4.187990|7.027255|0.126321|8.059589|6.871325|7.869848|13.563507|36.858105| |1.176276|1.217635|1.174966|1.169387|1.350492|1.425779|2.175534|1.714993|2.913944|1.980963|15.370682|2.676250|3.806174|4.736690|3.828333|4.226849|2.899684|3.043792|2.524085|5.255918|5.295613|10.338412|0.184976|13.663701|7.789200|6.735300|7.868117|13.865437|36.858105| |17.562455|8.702214|6.919612|5.500797|6.669346|6.628418|6.134285|3.790749|6.881769|2.960888|17.812994|2.112054|2.820985|2.458454|1.713494|2.524217|1.774527|1.626606|1.836678|1.514838|1.420082|1.763845|0.034117|1.288852|1.409752|1.410474|1.291218|1.196505|1.193939|0.500000| |17.532097|8.740183|5.492710|6.871920|6.904542|5.592085|5.770660|3.452440|5.898320|2.842098|16.735239|2.052781|2.807576|2.459534|1.690884|2.449010|1.695927|1.565206|1.743809|1.497832|1.391384|1.738845|0.033530|1.284599|1.411201|1.431211|1.315905|1.211371|1.197265|0.301402|0.500000| |17.542497|8.781555|6.878754|7.041198|5.466291|4.595009|4.719963|2.932311|5.175117|2.432872|14.790628|1.819027|2.467463|2.189387|1.521440|2.203155|1.545402|1.428696|1.583616|1.362388|1.280316|1.606428|0.031172|1.179666|1.283034|1.292185|1.194763|1.109964|1.102469|0.302658|0.301725|0.500000| |6.878769|8.781557|17.542492|7.041223|5.466259|4.594829|4.719827|2.931649|5.172658|2.432674|14.786405|1.819126|2.464966|2.191100|1.524877|2.206984|1.549575|1.411995|1.557849|1.367446|1.294303|1.620469|0.031536|1.181884|1.280093|1.278435|1.180275|1.102052|1.101358|0.170345|0.140197|0.204690|0.500000| |5.492705|8.740160|17.532035|6.871977|6.904406|5.591513|5.770224|3.450626|5.892219|2.841562|16.724980|2.053015|2.801434|2.463597|1.698797|2.457822|1.705181|1.529132|1.687696|1.509130|1.421879|1.768988|0.034300|1.289399|1.404683|1.400496|1.284140|1.194361|1.194889|0.140912|0.122465|0.140197|0.301725|0.500000| |6.919600|8.702196|17.562462|5.500807|6.669280|6.627874|6.133987|3.789337|6.876062|2.960534|17.805711|2.112206|2.817305|2.460848|1.718342|2.529903|1.780768|1.602409|1.797332|1.521706|1.438978|1.782227|0.034590|1.291708|1.405906|1.392882|1.273226|1.186743|1.192548|0.207490|0.140912|0.170344|0.302658|0.301400|0.500000| |6.928672|8.737988|5.506775|17.535820|6.978908|4.556599|5.176218|3.014085|4.907234|2.628849|15.173871|1.939306|2.731548|2.421345|1.637892|2.317875|1.579850|1.449064|1.580640|1.459649|1.351359|1.700284|0.032772|1.265515|1.390351|1.423366|1.316618|1.208864|1.186814|0.140318|0.205192|0.173886|0.142448|0.140244|0.122370|0.500000| |5.506756|8.737962|6.928623|17.535777|6.978926|4.556503|5.176131|3.013613|4.905827|2.628693|15.170835|1.939396|2.729260|2.422930|1.640809|2.320910|1.582880|1.437171|1.563105|1.463874|1.362489|1.711561|0.033059|1.267378|1.387813|1.410856|1.303413|1.201912|1.185876|0.122370|0.140243|0.142447|0.173884|0.205192|0.140317|0.301396|0.500000| |6.955708|8.756927|6.955809|17.544096|5.522353|4.003377|4.408013|2.668946|4.505013|2.308159|13.761656|1.746723|2.424367|2.169165|1.487854|2.115537|1.463087|1.344830|1.466003|1.337822|1.253225|1.580661|0.030653|1.167883|1.270660|1.289114|1.197336|1.110047|1.096716|0.141928|0.169438|0.212122|0.212126|0.169442|0.141930|0.301660|0.301660|0.500000| |5.491062|8.854757|6.885580|7.142895|17.497230|8.917301|9.822462|4.846276|7.334378|3.945967|20.865517|2.568592|3.608904|3.074429|2.056424|2.960866|1.986527|1.759361|1.949931|1.783060|1.640893|2.023856|0.038755|1.491989|1.658600|1.674192|1.515981|1.385481|1.374047|0.137631|0.141430|0.123273|0.141858|0.208230|0.164629|0.175573|0.215682|0.144009|0.500000| |6.885137|8.854486|5.490988|7.142991|17.497644|8.917725|9.823163|4.848221|7.338944|3.946532|20.873404|2.568406|3.614218|3.071253|2.050744|2.954627|1.980588|1.781183|1.984079|1.775501|1.621682|2.005408|0.038299|1.488983|1.662927|1.695101|1.536760|1.396109|1.375509|0.164619|0.208215|0.141852|0.123272|0.141431|0.137628|0.215683|0.175582|0.144008|0.303229|0.500000| |6.739853|6.593385|5.417333|4.463649|8.784301|17.603536|12.503950|6.985593|12.259263|4.611245|25.470347|2.839534|3.752140|3.134892|2.162007|3.254515|2.247505|2.006085|2.321803|1.855176|1.715575|2.092903|0.040087|1.526089|1.696459|1.689210|1.517596|1.392119|1.393138|0.228825|0.176542|0.137356|0.120300|0.130203|0.169088|0.119191|0.110892|0.105695|0.173652|0.211762|0.500000| |5.418277|6.593772|6.739772|4.463635|8.784124|17.602600|12.501669|6.979594|12.238418|4.610151|25.455550|2.839709|3.746076|3.138169|2.168603|3.262777|2.256151|1.975087|2.267656|1.863751|1.738303|2.113831|0.040610|1.529292|1.691836|1.668506|1.497572|1.381570|1.391596|0.169134|0.130224|0.120315|0.137358|0.176516|0.228839|0.110893|0.119184|0.105697|0.211738|0.173653|0.303690|0.500000| |3.983015|4.705336|3.984767|3.950671|7.593968|8.977521|26.077293|9.395270|10.874051|7.598237|31.688417|3.756153|5.354207|4.225953|2.745346|4.031071|2.598994|2.240410|2.537013|2.273169|2.036763|2.457170|0.046334|1.816501|2.073817|2.092596|1.843959|1.655818|1.642564|0.110703|0.112123|0.090743|0.090771|0.112210|0.110753|0.110353|0.110388|0.090204|0.215086|0.214842|0.187470|0.187616|0.500000| |2.675063|2.975112|2.798598|2.622610|3.875335|4.661262|9.626300|8.857281|10.943910|17.615024|56.425234|6.753947|9.544469|6.490119|4.105300|6.294918|3.759557|2.987855|3.419574|3.143117|2.749731|3.177935|0.058882|2.315414|2.716438|2.654526|2.245149|2.002555|2.021897|0.076692|0.074227|0.064743|0.067045|0.080428|0.080547|0.072355|0.074520|0.063807|0.112793|0.105721|0.113456|0.122315|0.207958|0.500000| |2.799010|2.976151|2.675657|2.623914|3.877525|4.662055|9.631292|8.858920|10.943020|17.618865|56.431528|6.742251|9.643780|6.460760|4.059172|6.230054|3.716018|3.095782|3.609839|3.101459|2.661262|3.107239|0.057305|2.303958|2.735327|2.740493|2.314571|2.035116|2.026461|0.080544|0.080445|0.067054|0.064755|0.074250|0.076697|0.074562|0.072399|0.063833|0.105802|0.112877|0.122303|0.113452|0.208067|0.303729|0.500000| |1.648997|1.709345|1.686138|1.553250|1.943810|2.225644|3.508373|3.095124|5.575083|3.691232|38.398407|6.260005|6.327980|6.286532|6.127716|12.287503|17.705422|8.615153|8.636196|5.297028|5.628409|5.526867|0.102755|3.438513|3.782356|3.108572|2.583289|2.468664|2.750161|0.048177|0.045620|0.042075|0.042894|0.047417|0.049402|0.042784|0.043364|0.040017|0.054270|0.053152|0.060509|0.062171|0.069410|0.100452|0.093770|0.500000| |1.445593|1.468544|1.436250|1.349841|1.637415|1.837952|2.816638|2.398961|4.348242|2.744979|25.843334|4.128095|4.667089|4.929192|4.717145|7.601614|8.626044|17.713777|8.576640|4.884465|5.608998|6.059360|0.116250|3.686556|3.802518|3.097689|2.656214|2.619994|2.985172|0.042138|0.040396|0.037251|0.037038|0.039944|0.041834|0.037516|0.037368|0.035115|0.045149|0.045410|0.051058|0.050688|0.056036|0.072897|0.073952|0.212566|0.500000| |1.519634|1.541854|1.483341|1.422840|1.738663|1.942535|3.029375|2.574917|4.544892|3.049677|28.366844|4.975531|5.719731|6.246393|6.190724|9.546465|8.631438|17.742886|8.639301|6.194253|5.978539|6.399783|0.114073|4.259291|4.788001|3.927368|3.224931|3.051336|3.379868|0.044063|0.042936|0.038935|0.038117|0.041159|0.042902|0.039924|0.039320|0.036800|0.047818|0.048911|0.054052|0.052590|0.061049|0.079939|0.085311|0.171594|0.292726|0.500000| |1.839323|1.846901|1.768437|1.660852|2.111500|2.457192|3.891070|3.510085|6.426068|4.137913|44.753102|6.283467|6.329983|5.763490|4.968711|9.547853|8.607843|8.645462|17.743600|4.083102|3.775490|4.181686|0.077344|2.886192|3.294992|2.964831|2.486292|2.297854|2.429355|0.054322|0.051918|0.046492|0.044951|0.048512|0.051938|0.046461|0.045400|0.042672|0.057010|0.059141|0.069645|0.066239|0.075889|0.100324|0.113353|0.171794|0.171109|0.212763|0.500000| |1.720364|1.732656|1.698239|1.553957|1.946936|2.269106|3.491095|3.125413|5.963177|3.485929|36.893504|4.817529|4.997959|4.684288|4.101756|7.622315|8.630789|8.567129|17.725428|3.619283|3.659729|4.062328|0.077618|2.675817|2.905618|2.548808|2.190099|2.088973|2.260895|0.051099|0.047815|0.043893|0.043401|0.046770|0.050338|0.042941|0.042627|0.040256|0.052886|0.053486|0.063977|0.062959|0.067220|0.087916|0.090646|0.213795|0.208422|0.170810|0.292863|0.500000| |1.387187|1.441271|1.414366|1.343901|1.617968|1.780062|2.760921|2.296758|4.004068|2.710549|23.813114|4.275389|5.254690|6.234408|6.429497|8.187738|6.681380|6.400703|4.656840|8.667299|17.818793|12.269761|0.214027|5.887620|5.774336|4.081305|3.382941|3.411394|4.182870|0.039856|0.038655|0.035780|0.036401|0.039996|0.040707|0.037300|0.037775|0.034830|0.045621|0.044798|0.048191|0.049218|0.056304|0.076463|0.072738|0.196030|0.184308|0.164293|0.109060|0.113791|0.500000| |1.495864|1.560052|1.468955|1.495938|1.784593|1.883692|2.990305|2.354297|3.833679|2.888585|21.370458|4.103293|6.740510|9.674512|6.158631|5.970537|3.482164|3.362180|3.011957|6.461414|4.560399|5.915026|0.099118|5.624380|8.868787|17.759183|8.911071|5.604514|4.883405|0.041936|0.042847|0.038320|0.037715|0.041467|0.041156|0.042717|0.042145|0.038304|0.050509|0.051496|0.050760|0.049814|0.064446|0.082152|0.086634|0.086088|0.082671|0.106541|0.085966|0.071759|0.103080|0.500000| |1.273633|1.320407|1.249201|1.284952|1.476442|1.529889|2.352688|1.811663|3.001661|2.110046|15.407935|2.687532|4.115447|5.081295|3.554748|3.898952|2.502992|2.528650|2.258715|4.034141|3.410010|5.015954|0.089623|4.991557|5.661976|8.972277|17.718195|8.882017|5.631787|0.035502|0.036488|0.033039|0.032468|0.035236|0.034806|0.036748|0.036213|0.033275|0.041760|0.042583|0.041453|0.040693|0.050445|0.059855|0.062367|0.064171|0.065425|0.078866|0.063680|0.055823|0.079558|0.214795|0.500000| |1.120014|1.157395|1.109722|1.123885|1.276948|1.328543|2.011740|1.557490|2.630282|1.776971|13.315954|2.258096|3.287916|3.954931|2.979067|3.385763|2.295565|2.384242|2.073142|3.618846|3.422513|5.631045|0.106499|5.694089|4.951063|5.629869|8.874172|17.713186|8.983223|0.031358|0.031837|0.029263|0.029017|0.031316|0.031061|0.031881|0.031665|0.029343|0.036088|0.036407|0.036103|0.035792|0.042526|0.050342|0.051221|0.060298|0.064220|0.073287|0.056881|0.052154|0.080407|0.123777|0.215559|0.500000| |1.108759|1.145758|1.110532|1.101439|1.262375|1.330996|2.013706|1.583812|2.710434|1.805661|14.021622|2.380743|3.334829|4.021099|3.253400|3.737045|2.638035|2.794372|2.327490|4.291913|4.616052|9.130486|0.188060|8.822027|5.568115|4.879471|5.598371|8.898788|17.708849|0.031280|0.031277|0.028970|0.029013|0.031366|0.031332|0.030984|0.031019|0.028801|0.035657|0.035604|0.036182|0.036237|0.042056|0.051129|0.050970|0.070639|0.078013|0.084635|0.061782|0.058823|0.106861|0.106329|0.123735|0.214903|0.500000| 1554.148475 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