Version2.0 2020-07-27T21:29:29Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 07-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCSc1nc2n(n1)[C@H](C3=C(N2)CC(CC3=O)(C)C)c4ccc(c(c4)OC)OCc5ccccc5C C41004131 RHF 6-31G(d) (6D,7F) CCSc1nc2n(n1)[C@H](C3=C(N2)CC(CC3=O)(C)C)c4ccc(c(c4)OC)OCc5ccccc5C C01[X(C28H32N4O3S1)] 198 C1 608 CCSc1nc2n(n1)[C@@H](c1ccc(c(c1)OC)OCc1ccccc1C)C1=C(N2)CC(CC1=O)(C)C CCSc1nc2n(n1)[C@@H](c1ccc(c(c1)OC)OCc1ccccc1C)C1=C(N2)CC(CC1=O)(C)C CCSc1nn2[C@@H](c3ccc(OCc4ccccc4C)c(OC)c3)C5=C(CC(C)(C)CC5=O)Nc2n1 InChIKey=OGAICJVQIKXWJA-VWLOTQADSA-N InChI=1S/C28H32N4O3S/c1-6-36-27-30-26-29-20-14-28(3,4)15-21(33)24(20)25(32(26)31-27)18-11-12-22(23(13-18)34-5)35-16-19-10-8-7-9-17(19)2/h7-13,25H,6,14-16H2,1-5H3,(H,29,30,31)/t25-/m0/s1 InChI=1/C28H32N4O3S/c1-6-36-27-30-26-29-20-14-28(3,4)15-21(33)24(20)25(32(26)31-27)18-11-12-22(23(13-18)34-5)35-16-19-10-8-7-9-17(19)2/h7-13,25H,6,14-16H2,1-5H3,(H,29,30,31)/t25-/m0/s1/f/h29H CCSc1nc2n(n1)[C@H](C3=C(N2)CC(CC3=O)(C)C)c4ccc(c(c4)OC)OCc5ccccc5C C01[X(C28H32N4O3S1)] 198 C01 608 CCSc1nc2n(n1)[C@@H](c1ccc(c(c1)OC)OCc1ccccc1C)C1=C(N2)CC(CC1=O)(C)C CCS[C]1[N][N@@]2[C]([N]1)NC1=C([C@@H]2[C]2[CH][CH][C]([C]([CH]2)OC)OC[C]2[CH][CH][CH][CH][C]2C)C(=O)CC(C1)(C)C CCS[C]1[N][C]2NC3=C([C@H]([C]4[CH][CH][C](OC[C]5[CH][CH][CH][CH][C]5C)[C]([CH]4)OC)N2[N]1)C(=O)CC(C)(C)C3 InChIKey=OGAICJVQIKXWJA-VWLOTQADSA-N InChI=1S/C28H32N4O3S/c1-6-36-27-30-26-29-20-14-28(3,4)15-21(33)24(20)25(32(26)31-27)18-11-12-22(23(13-18)34-5)35-16-19-10-8-7-9-17(19)2/h7-13,25H,6,14-16H2,1-5H3,(H,29,30,31)/t25-/m0/s1 InChI=1/C28H32N4O3S/c1-6-36-27-30-26-29-20-14-28(3,4)15-21(33)24(20)25(32(26)31-27)18-11-12-22(23(13-18)34-5)35-16-19-10-8-7-9-17(19)2/h7-13,25H,6,14-16H2,1-5H3,(H,29,30,31)/t25-/m0/s1/f/h29H 3946.3168826565 -1918.8282344 1-A 25744.8969 134 474 608 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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| 8.9836 11.5540 16.2277 24.0880 33.4991 37.3293 40.4999 59.0631 68.5616 77.9894 81.5212 89.4488 98.9886 112.3352 139.7438 146.7610 150.9976 156.1910 171.2600 184.4453 203.3279 205.8305 221.5894 227.3956 245.5449 254.0495 260.1100 272.4154 279.9958 281.7566 302.6286 308.1985 321.7998 337.6108 344.9312 360.9012 372.4070 397.1247 407.3681 420.2255 433.3094 452.1773 459.8569 474.6764 484.1677 489.9999 517.6466 531.6652 550.5033 560.6282 564.6734 580.6962 589.1319 612.9282 631.4488 645.3186 660.9377 672.6943 679.7376 726.4059 737.2900 760.0482 778.3692 787.8645 794.1688 826.9130 830.8477 840.6799 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224.72 246.40 265.38 292.54 296.14 318.82 327.17 353.28 365.52 374.24 391.94 402.85 405.38 435.42 443.43 463.00 485.75 496.28 519.26 535.81 571.37 586.11 604.61 623.44 650.58 661.63 682.95 696.61 705.00 744.78 764.95 792.05 806.62 812.44 835.49 847.63 881.87 908.51 928.47 950.94 967.86 977.99 1045.14 1060.80 1093.54 1119.90 1133.56 1142.63 1189.74 1195.40 1209.55 1220.32 1228.35 1232.22 1257.17 1286.07 1291.71 1319.87 1328.04 1347.72 1425.26 1426.97 1438.12 1464.05 1483.18 1491.15 1493.36 1504.03 1530.28 1541.48 1553.67 1570.77 1591.46 1614.26 1631.97 1652.80 1655.39 1658.57 1672.36 1676.24 1686.43 1692.02 1706.32 1730.33 1764.63 1775.12 1782.98 1819.01 1840.41 1849.14 1854.16 1862.60 1866.63 1898.85 1910.85 1921.13 1922.62 1938.11 1944.45 1992.45 1994.15 2010.14 2030.33 2033.80 2046.73 2064.22 2073.17 2079.55 2084.28 2095.80 2102.94 2116.61 2137.85 2155.43 2201.03 2245.44 2248.73 2252.97 2263.02 2263.73 2275.27 2299.36 2315.27 2325.13 2335.06 2350.47 2352.48 2353.51 2358.85 2358.94 2362.37 2365.67 2370.90 2376.13 2377.46 2382.97 2387.92 2390.89 2396.63 2401.48 2459.62 2514.46 2563.84 2564.30 2579.91 2609.04 2613.66 2665.19 2820.15 4583.46 4590.75 4594.76 4599.43 4603.79 4616.99 4618.23 4620.45 4633.35 4647.95 4665.03 4690.23 4698.26 4698.47 4704.73 4709.06 4716.40 4716.74 4719.38 4723.90 4729.05 4735.19 4783.92 4784.81 4818.87 4838.53 4852.43 4863.33 4900.63 4919.21 4934.34 5591.29 0.603014 0.635573 0.636517 0.533778 -1918.225220 -1918.192662 -1918.191717 -1918.294456 3.445883D-04 MUNgauss RevisionA2.0 retrievium 27-Jul-2020 DUDE CCSc1nc2n(n1)[C@H](C3=C(N2)CC(CC3=O)(C)C)c4ccc(c(c4)OC)OCc5ccccc5C C41004131 RHF 6-31G(d) (6D,10F) C1 504.219513 |X|Y|Z| 128.509431 83.769462 47.041225 79.707610 27 6 7 8 22 4 1 |36.858105| |12.482985|36.858105| |6.976806|10.460475|388.023441| |4.605154|6.886103|76.994431|36.858105| |4.270787|6.483324|49.157743|14.004567|53.358707| |3.317225|4.506352|35.928409|9.255689|19.924262|36.858105| |3.080142|4.006796|35.893353|9.212797|11.929248|14.456421|53.358707| |3.599199|4.749371|50.841910|14.739776|11.553687|8.759805|19.065228|53.358707| |2.502618|3.072778|26.502613|5.478873|7.252090|7.683983|17.852869|10.424804|36.858105| |2.406754|2.897187|25.473483|4.964372|6.220823|5.937734|12.635905|9.606089|17.634751|0.500000| |2.268921|2.758807|22.105996|4.340783|6.439342|6.957617|10.866317|7.023649|12.499085|0.247662|36.858105| |2.367053|2.919902|22.199456|4.370116|7.207085|8.056736|9.583252|6.409265|7.569627|0.161974|14.209653|36.858105| |2.801881|3.611849|26.689390|5.590308|10.820379|13.936417|11.150023|7.471098|6.623224|0.142577|8.055418|13.819361|53.358707| |2.080637|2.493534|18.218376|3.324059|5.403778|5.158012|6.171382|4.692168|4.845881|0.115445|7.570420|12.645055|10.650244|36.858105| |1.806410|2.111638|15.667646|2.761566|4.240151|3.883667|5.068994|4.006471|4.307203|0.106635|6.511871|7.481523|6.890258|12.387091|36.858105| |1.773435|2.062633|15.756003|2.775712|4.093284|3.758737|5.269158|4.177425|4.827858|0.126672|7.439976|6.678407|6.137616|7.671280|12.412881|36.858105| |1.943622|2.288666|18.139000|3.305919|4.739158|4.542785|6.950337|5.250578|7.441521|0.194590|12.949211|7.829888|6.991678|6.529449|7.417918|12.556278|36.858105| |1.848339|2.144949|17.332116|3.072542|4.214950|3.867780|6.208547|4.995358|6.756984|0.203097|8.164228|5.408296|5.528318|4.627695|5.229644|8.057102|15.879513|73.516695| |1.743434|2.024588|15.057931|2.625160|3.979361|3.588061|4.751089|3.818663|4.070903|0.098341|5.591192|6.018245|6.134868|7.532822|12.386969|7.542949|6.059724|8.365319|36.858105| |1.637191|1.881268|13.674501|2.326637|3.552831|3.087736|3.982874|3.300524|3.231342|0.083168|4.353099|4.937127|5.253894|7.610146|12.423788|7.591480|4.898854|6.969239|7.625202|36.858105| |2.327753|2.785240|23.951184|4.557607|5.878240|5.532378|10.498070|8.227433|12.476571|0.247982|7.484362|5.453441|6.786709|3.975721|3.790948|4.111493|5.845253|10.335925|3.959457|2.905726|36.858105| |2.396933|2.872852|24.028238|4.478267|5.967886|5.379400|8.834072|7.361372|7.506975|0.156770|5.777259|4.970232|6.709746|3.771036|3.535381|3.553417|4.544910|7.650301|3.898404|2.761012|13.861291|36.858105| |2.156877|2.499592|20.533499|3.520064|4.637839|3.893162|6.047176|5.526548|4.988323|0.117013|4.193388|3.729942|5.003473|3.075552|3.007835|3.014745|3.657222|6.408180|3.425991|2.440097|7.925515|13.662892|36.858105| |1.936360|2.198026|18.172140|3.014410|3.896042|3.232833|5.114688|4.797061|4.409471|0.111016|3.732867|3.218703|4.179390|2.730318|2.766418|2.876425|3.491218|6.466741|3.122519|2.282162|6.818539|7.911563|13.836279|36.858105| |1.897473|2.155910|18.127822|3.037222|3.868210|3.264680|5.390551|5.017609|5.012177|0.133530|4.105459|3.342459|4.197136|2.806927|2.887668|3.158258|4.004595|7.914506|3.156368|2.364296|7.884963|6.866858|7.934614|13.540669|36.858105| |2.055611|2.382655|20.405377|3.590532|4.543728|3.999866|7.081545|6.267460|7.553059|0.203838|5.530902|4.139257|5.056014|3.299289|3.337179|3.782049|5.242283|10.643324|3.509126|2.647741|13.633439|7.979941|6.907847|7.919887|13.839667|36.858105| |1.703629|1.899195|15.798468|2.553573|3.252279|2.681230|4.309681|4.117172|3.861089|0.108106|3.327665|2.773915|3.482891|2.417081|2.531827|2.799376|3.408090|6.929930|2.741064|2.136638|5.181544|4.624954|5.297931|8.166158|14.142648|7.898399|73.516695| |1.630628|1.809282|15.066351|2.420275|3.073635|2.531897|4.085075|3.915082|3.695775|0.109403|3.231960|2.660923|3.296126|2.341997|2.476657|2.833147|3.452559|7.393180|2.598686|2.113311|4.521403|3.807175|3.994261|5.248248|8.036478|6.763641|24.204179|36.858105| |1.756114|1.952733|15.854451|2.529034|3.282659|2.648889|4.054806|3.897800|3.363820|0.087223|2.973260|2.645689|3.463861|2.328235|2.385175|2.458624|2.860649|5.315641|2.699707|2.027842|4.603731|5.186372|7.879572|14.143812|8.171764|5.295744|13.147420|4.794598|73.516695| |1.733361|1.911455|15.195421|2.378802|3.125705|2.471990|3.660941|3.550261|2.910536|0.074638|2.632539|2.429565|3.252941|2.172272|2.201269|2.207274|2.496795|4.518273|2.509471|1.900406|3.781206|4.499577|6.706136|8.015143|5.246270|3.986196|8.531928|3.551157|24.249855|36.858105| |1.546609|1.676783|13.190559|2.016682|2.649375|2.068990|3.035787|2.976124|2.397312|0.062906|2.205895|2.050441|2.737651|1.872340|1.914785|1.928930|2.138422|3.905631|2.159319|1.689890|2.965830|3.331683|4.397834|5.212210|4.061320|3.188823|7.305815|3.203808|14.245023|12.586418|36.858105| |1.450232|1.565329|12.386902|1.887228|2.463933|1.929753|2.859552|2.810011|2.289643|0.061289|2.108559|1.935727|2.553095|1.775496|1.835820|1.882371|2.087002|3.885209|2.047301|1.629557|2.800178|2.999022|3.782681|4.723228|4.042971|3.133149|7.951210|3.528623|12.566426|7.548803|13.742994|36.858105| |1.324548|1.414675|11.082684|1.665138|2.180216|1.692337|2.482297|2.451932|1.966391|0.053086|1.833052|1.699676|2.247341|1.579206|1.634892|1.673498|1.826860|3.395937|1.807280|1.473878|2.330016|2.461836|2.969595|3.517159|3.161598|2.574009|6.242479|2.966708|8.298199|5.011609|7.907757|13.734627|36.858105| |1.283063|1.361934|10.539599|1.569436|2.067379|1.590717|2.302225|2.279504|1.795937|0.048202|1.687366|1.587606|2.118661|1.485532|1.528673|1.545204|1.668740|3.062963|1.690527|1.389324|2.097767|2.247862|2.683694|3.029804|2.687029|2.254871|5.098939|2.467834|6.848673|4.435189|6.848377|7.950422|13.795458|36.858105| |1.348436|1.433530|11.022283|1.641678|2.173444|1.666150|2.391444|2.365736|1.846673|0.048980|1.736127|1.649155|2.220737|1.540921|1.573420|1.570687|1.694759|3.073105|1.752094|1.426164|2.165149|2.378783|2.880138|3.149636|2.693372|2.275832|4.917865|2.349093|7.093629|5.034783|7.941322|6.909682|7.966364|13.742347|36.858105| |1.481589|1.590669|12.297270|1.852184|2.453054|1.890016|2.720653|2.680048|2.103963|0.055130|1.962634|1.860671|2.512870|1.720526|1.748698|1.737776|1.893991|3.416771|1.966522|1.564772|2.522627|2.848395|3.595596|3.916269|3.169583|2.629760|5.615892|2.593212|9.204031|7.575359|13.606033|7.902775|6.831943|7.881180|13.735305|36.858105| |1.556145|1.671256|12.733847|1.912549|2.558987|1.954273|2.764801|2.721903|2.096489|0.054215|1.967035|1.899165|2.604862|1.759185|1.765028|1.723440|1.866789|3.310449|1.991759|1.581319|2.487651|2.891854|3.614311|3.641345|2.909561|2.498175|4.942683|2.314477|7.860779|6.508154|7.499597|5.003505|4.428990|5.017292|7.587466|12.590775|36.858105| |17.565358|8.774159|46.201113|4.273656|5.256816|3.086211|3.989575|4.700787|2.417141|0.064486|2.168458|2.236359|3.559885|1.964868|1.727028|1.698144|1.867919|3.181006|1.688198|1.562115|2.305351|2.403910|2.198790|1.976116|1.918032|2.051026|3.067853|1.640131|3.209100|1.795318|1.604686|1.498916|1.369679|1.330894|1.403382|1.543306|1.627012|0.500000| |17.565195|8.773900|46.197756|4.272768|5.253489|3.086123|3.991881|4.702670|2.413691|0.065693|2.184529|2.252356|3.560862|1.986753|1.737377|1.725755|1.892219|3.224918|1.663585|1.581615|2.225620|2.246807|2.025181|1.845149|1.832103|1.991701|2.949392|1.604881|2.981418|1.642041|1.474901|1.395278|1.278799|1.234891|1.289122|1.408457|1.465814|0.301125|0.500000| |17.557334|8.865265|36.604859|3.877984|5.202357|3.030810|3.759155|4.223897|2.282749|0.060731|2.117641|2.239669|3.601570|2.006974|1.741755|1.692957|1.828566|3.075736|1.681254|1.595818|2.127813|2.202809|1.996486|1.793685|1.750648|1.885500|2.807177|1.511989|2.912113|1.627706|1.460465|1.368059|1.255470|1.222191|1.286791|1.408846|1.486645|0.301444|0.301445|0.500000| |8.811148|17.631894|56.431507|6.530917|9.292859|4.705197|5.486814|6.224387|3.098860|0.079141|2.813743|3.031609|5.219663|2.593678|2.183736|2.096350|2.314741|3.820522|2.122571|1.938384|2.864654|3.051502|2.658217|2.291867|2.206446|2.417692|3.427785|1.814126|3.618034|2.015676|1.755212|1.621003|1.460392|1.412051|1.498233|1.673055|1.778771|0.210311|0.172568|0.212296|0.500000| |8.810901|17.631299|56.428147|6.528160|9.275243|4.705097|5.492990|6.228986|3.091722|0.081394|2.849009|3.071690|5.222907|2.644435|2.204701|2.148727|2.361272|3.896969|2.074541|1.975853|2.716598|2.749277|2.368213|2.095104|2.079016|2.322635|3.265696|1.767025|3.302158|1.806495|1.589977|1.492744|1.352198|1.299426|1.362103|1.505760|1.574770|0.172567|0.210302|0.212289|0.302712|0.500000| |2.830436|3.637153|25.180697|4.927862|9.871988|9.402631|8.099667|6.175867|4.925402|0.113263|5.841735|9.192563|26.070266|7.383998|4.692484|3.999155|4.236949|6.102154|4.166392|3.811112|3.983263|4.056135|3.198300|2.700456|2.677250|3.120484|4.033889|2.153342|4.079484|2.193134|1.869564|1.740473|1.546236|1.470024|1.545418|1.738612|1.816940|0.072606|0.072853|0.075763|0.108905|0.109741|0.500000| |2.094581|2.507261|17.818384|3.198132|5.322933|4.869000|5.573781|4.371987|4.159423|0.098555|5.759229|8.983015|10.167718|17.525600|8.792913|5.550002|4.918082|6.683571|7.104891|6.730713|3.606970|3.617333|3.008053|2.625043|2.620877|2.991469|4.020188|2.159281|4.027914|2.157032|1.859578|1.744836|1.555999|1.476569|1.544236|1.727497|1.789347|0.055025|0.054962|0.056696|0.073786|0.073639|0.223190|0.500000| |2.077100|2.478181|17.882283|3.207224|5.207830|4.765681|5.668593|4.453961|4.290264|0.107392|6.199074|9.020663|9.181550|17.498903|8.791834|6.743110|5.621124|7.469727|5.502984|7.244892|3.447981|3.223276|2.673167|2.413962|2.506085|2.936182|3.906727|2.164129|3.708174|1.950317|1.703472|1.626974|1.459839|1.376278|1.421673|1.573723|1.605357|0.053920|0.055575|0.055915|0.070577|0.074394|0.189695|0.303485|0.500000| |1.624018|1.862738|14.246229|2.449238|3.542754|3.157259|4.490239|3.688877|4.101319|0.110312|5.597994|4.950583|4.962006|5.528181|8.739037|17.584039|9.012873|13.486500|6.966692|6.754248|3.738007|3.261990|2.876939|2.825483|3.128473|3.631030|5.064569|2.920275|4.368814|2.194962|1.940794|1.914391|1.708440|1.570689|1.585218|1.743702|1.712456|0.043491|0.044001|0.043133|0.052569|0.053474|0.091484|0.123355|0.138312|0.500000| |1.763504|2.043709|15.523555|2.705284|3.984117|3.585230|4.974673|4.027266|4.357216|0.119450|6.283592|5.910390|5.752534|6.878497|8.818507|17.490396|9.068535|12.088402|5.497621|7.128029|3.588009|3.102029|2.647322|2.537661|2.791152|3.329500|4.473822|2.590946|3.904635|1.985039|1.754487|1.720136|1.543447|1.430182|1.449751|1.591740|1.579463|0.046569|0.048037|0.046857|0.057075|0.059830|0.106637|0.139559|0.197810|0.303438|0.500000| |1.733563|2.007584|14.625591|2.518440|3.877404|3.410544|4.362623|3.572521|3.546644|0.085661|4.604175|5.294658|5.889334|6.835164|8.765339|5.483297|4.623060|6.657074|17.539696|6.982960|3.480793|3.585832|3.211660|2.876463|2.821380|3.062594|4.383387|2.315249|4.502844|2.418472|2.091261|1.960528|1.741961|1.649136|1.724825|1.935076|1.990433|0.046643|0.045661|0.046816|0.059077|0.057129|0.116470|0.211852|0.142855|0.141377|0.123047|0.500000| |1.594794|1.826718|13.640694|2.326878|3.447128|3.030176|4.112287|3.402746|3.552398|0.088880|4.599655|4.622468|4.929217|5.483444|8.786078|6.879796|5.388995|8.039583|17.553521|6.959345|3.553744|3.457897|3.168426|3.000312|3.066339|3.321475|4.869629|2.623476|4.716765|2.454891|2.148163|2.062307|1.831157|1.707008|1.754877|1.953367|1.954656|0.043087|0.042498|0.042752|0.052870|0.051799|0.093768|0.143012|0.123171|0.208711|0.142164|0.301915|0.500000| |1.842504|2.155561|16.313109|2.892879|4.344416|4.005350|5.443174|4.289577|4.841483|0.112330|6.572377|6.605211|6.716268|6.810593|8.681677|6.804392|6.675359|9.247092|17.576826|5.497417|4.954915|4.957602|4.253519|3.782652|3.785036|4.250451|5.632172|2.929115|5.625308|2.900849|2.430456|2.283305|1.981874|1.840819|1.915571|2.181461|2.207464|0.049837|0.048650|0.048965|0.063048|0.060707|0.120992|0.177109|0.137909|0.172524|0.138318|0.301685|0.302125|0.500000| |1.641770|1.882758|13.635959|2.306633|3.517868|3.023769|3.890579|3.254779|3.105951|0.081680|4.121840|4.660498|5.070750|6.915233|8.739790|6.921267|4.611002|6.678026|5.504392|17.543294|2.721216|2.550258|2.244776|2.110595|2.207000|2.490308|3.570881|2.011842|3.341130|1.758894|1.573010|1.524165|1.385116|1.306195|1.336540|1.459255|1.472111|0.043233|0.044337|0.044514|0.053377|0.055487|0.103315|0.164111|0.217500|0.166587|0.214848|0.141555|0.141538|0.122226|0.500000| |1.510898|1.717613|12.568808|2.107753|3.154037|2.705325|3.574821|3.014287|2.943614|0.076965|3.819753|4.065132|4.428770|5.508767|8.780973|6.881672|4.502421|6.746978|6.968231|17.552322|2.724268|2.582739|2.334920|2.226369|2.318071|2.555303|3.784915|2.119869|3.559747|1.871801|1.680762|1.633346|1.483646|1.395792|1.425051|1.555059|1.559740|0.040283|0.040670|0.040880|0.049038|0.049738|0.088209|0.138961|0.144737|0.200126|0.176031|0.173074|0.209652|0.141318|0.301602|0.500000| |1.630345|1.869263|13.356086|2.252665|3.482895|2.974605|3.746332|3.138455|2.948444|0.075057|3.834876|4.516844|5.102811|6.913007|8.762055|5.498015|4.037914|5.879802|6.938842|17.536835|2.696101|2.638493|2.354043|2.175959|2.208976|2.435515|3.545710|1.949056|3.466513|1.855851|1.653136|1.581496|1.434980|1.363447|1.408574|1.545602|1.577452|0.043217|0.043500|0.044467|0.053972|0.054524|0.106631|0.199659|0.181133|0.138718|0.143604|0.209503|0.171261|0.141138|0.301248|0.301823|0.500000| |2.623650|3.223378|26.249856|5.077251|7.185473|6.543920|9.631253|7.785849|6.902327|0.141246|5.723101|5.467547|8.104998|4.065576|3.610651|3.465164|4.260308|6.844729|3.941779|2.827925|8.918765|17.724542|8.947823|5.656063|4.949772|5.648609|6.522003|3.142283|7.458638|3.913648|2.985775|2.660517|2.232004|2.079371|2.224486|2.645350|2.767788|0.072699|0.067193|0.067192|0.097711|0.085485|0.135283|0.111872|0.095775|0.086521|0.084975|0.104152|0.094271|0.136814|0.072626|0.072135|0.076398|0.500000| |2.147915|2.468130|19.731603|3.286379|4.407670|3.578537|5.263880|4.914471|4.081687|0.096960|3.596881|3.370033|4.657851|2.862692|2.776842|2.703994|3.149213|5.427849|3.194819|2.301072|5.661935|8.940226|17.763052|8.939841|5.635649|4.973881|7.591193|3.330389|12.538732|7.449314|4.695948|3.797402|3.003496|2.790214|3.096025|3.983538|4.236923|0.061332|0.055468|0.055645|0.074121|0.064432|0.085099|0.079879|0.069429|0.071824|0.066563|0.085980|0.082111|0.107728|0.058706|0.061145|0.062728|0.218035|0.500000| |1.974985|2.272710|19.472705|3.379520|4.257644|3.722170|6.583401|5.902537|7.096887|0.226272|5.402428|3.953653|4.731177|3.207779|3.289613|3.919440|5.554753|12.614202|3.326459|2.641476|8.944180|5.685825|4.976111|5.636308|8.960073|17.792232|12.609597|7.565341|7.601035|3.329640|2.794931|2.818127|2.375397|2.081170|2.072078|2.342109|2.212717|0.054363|0.053796|0.050355|0.063111|0.062234|0.081763|0.079245|0.081094|0.105640|0.097875|0.079850|0.088798|0.107953|0.070044|0.071277|0.066513|0.124462|0.107982|0.500000| |1.601123|1.786709|14.722692|2.401350|3.100365|2.595510|4.168452|3.876698|3.892547|0.116004|3.537715|2.859179|3.445889|2.539539|2.751206|3.243257|3.984692|8.964556|2.874518|2.331277|4.609900|3.772929|3.815250|4.769400|7.079949|6.792857|16.436875|17.563544|7.535085|3.242434|2.910458|3.142006|2.682001|2.272125|2.180194|2.400914|2.175863|0.044387|0.043781|0.041417|0.049785|0.048939|0.062322|0.064181|0.065014|0.094823|0.081575|0.069785|0.081675|0.089699|0.061478|0.065495|0.058930|0.087214|0.088471|0.228598|0.500000| |1.716056|1.903088|16.146444|2.578760|3.207080|2.621949|4.313183|4.241433|3.862984|0.118975|3.251513|2.663518|3.339817|2.310513|2.392918|2.749018|3.397578|7.288087|2.452416|2.044497|4.577665|3.748271|3.792779|4.742849|7.033652|6.746280|16.438830|17.557308|7.509269|3.239772|2.912840|3.147539|2.688592|2.277112|2.183784|2.403450|2.176966|0.047935|0.047212|0.043892|0.052496|0.051556|0.060426|0.058940|0.059946|0.077209|0.071082|0.060974|0.067749|0.076318|0.054691|0.056405|0.052381|0.086759|0.088055|0.226640|0.299027|0.500000| |1.506895|1.652668|13.603453|2.140588|2.730920|2.215943|3.495120|3.388407|3.055790|0.089673|2.743495|2.321844|2.902919|2.086117|2.214082|2.500464|2.935382|6.141349|2.328593|1.928961|3.620852|3.193217|3.416749|4.409179|5.892214|4.923189|17.016993|17.642740|7.771222|3.346300|3.170995|3.644056|3.141618|2.568227|2.385981|2.577793|2.258695|0.042227|0.041284|0.038982|0.046017|0.044810|0.053405|0.053920|0.053947|0.072313|0.064156|0.058323|0.066020|0.071708|0.051126|0.054176|0.049715|0.075209|0.082036|0.147327|0.299677|0.300000|0.500000| |1.868833|2.057684|16.451050|2.543560|3.304890|2.569881|3.797598|3.765103|2.929954|0.074844|2.598645|2.421214|3.317731|2.140200|2.123596|2.118936|2.407615|4.320537|2.383152|1.834521|3.775120|4.623344|6.823363|7.156128|4.809054|3.836778|7.586279|3.260188|16.602445|17.525345|8.875290|5.894472|4.307733|3.987073|4.629116|6.781112|6.645675|0.054289|0.048896|0.048526|0.060590|0.053381|0.062261|0.059309|0.053632|0.057775|0.053387|0.064262|0.063803|0.076228|0.047473|0.049728|0.049963|0.114435|0.227388|0.088972|0.082355|0.085551|0.084687|0.500000| |1.718434|1.906192|14.896855|2.360810|3.171038|2.528376|3.672404|3.483124|2.919752|0.073592|2.716581|2.546455|3.398071|2.302770|2.345907|2.306650|2.572813|4.571652|2.742393|2.021485|3.754497|4.608241|6.813321|7.113580|4.772148|3.809298|7.533560|3.243750|16.598455|17.522601|8.880141|5.885865|4.304752|3.988046|4.635233|6.799214|6.676322|0.049171|0.045000|0.045126|0.056318|0.050310|0.063940|0.064228|0.056834|0.063732|0.057094|0.074269|0.074448|0.088684|0.051437|0.055315|0.055236|0.114168|0.228973|0.088434|0.085181|0.081882|0.084377|0.301954|0.500000| |1.478629|1.604352|12.837437|1.973867|2.561780|2.024923|3.045487|2.983155|2.484622|0.067111|2.267759|2.046727|2.671078|1.863935|1.938580|2.018466|2.266906|4.289008|2.152741|1.707741|3.081596|3.213889|4.037751|5.403129|4.846569|3.590335|10.286419|4.370766|14.710241|7.026160|8.959548|17.768846|8.912593|5.655293|4.975074|5.639137|4.084305|0.042281|0.039671|0.038592|0.045901|0.042630|0.050163|0.050369|0.047410|0.057258|0.051103|0.056501|0.060414|0.067069|0.044412|0.047625|0.045646|0.077427|0.107407|0.089890|0.104888|0.105063|0.127331|0.152853|0.152450|0.500000| |1.264828|1.347260|10.571169|1.584442|2.070096|1.607773|2.365446|2.339327|1.882233|0.051362|1.758790|1.623814|2.135794|1.513899|1.574658|1.626406|1.771431|3.322269|1.726241|1.426632|2.204725|2.280738|2.686977|3.192892|2.995945|2.465671|6.100268|2.998294|7.228151|4.089897|5.637054|8.921356|17.712691|8.916293|5.652602|4.930319|3.543062|0.036234|0.034093|0.033302|0.038412|0.035901|0.040825|0.041222|0.039073|0.046367|0.041859|0.045994|0.048857|0.052231|0.037386|0.040052|0.038430|0.057403|0.074096|0.064348|0.075087|0.075310|0.090827|0.099708|0.099609|0.215169|0.500000| |1.202100|1.268530|9.764973|1.444329|1.905100|1.459962|2.104045|2.087746|1.634721|0.044101|1.544634|1.459105|1.948014|1.374154|1.414942|1.430812|1.533885|2.815532|1.554560|1.296888|1.880800|1.995715|2.331248|2.596447|2.355778|2.014985|4.482560|2.226587|5.652687|3.546983|4.938725|5.644896|8.910498|17.710757|8.914326|5.624735|4.099056|0.034613|0.032227|0.031898|0.036434|0.033693|0.037714|0.037954|0.035555|0.040472|0.036989|0.042218|0.043722|0.046604|0.033985|0.036272|0.035394|0.051692|0.066980|0.052281|0.057343|0.057478|0.064846|0.090734|0.090751|0.124128|0.214229|0.500000| |1.301233|1.375169|10.466987|1.547114|2.057387|1.566464|2.227305|2.207619|1.703203|0.045153|1.611709|1.545704|2.093084|1.453632|1.478764|1.466636|1.569548|2.828571|1.641155|1.350730|1.967758|2.162857|2.566841|2.730976|2.362297|2.040779|4.267178|2.076168|5.895868|4.102741|5.646215|4.969739|5.662692|8.932357|17.701138|8.941502|7.076524|0.037671|0.034516|0.034650|0.039995|0.036294|0.040743|0.040676|0.037389|0.041034|0.037763|0.045222|0.045593|0.049452|0.035226|0.037461|0.037245|0.057022|0.077211|0.051932|0.054025|0.054110|0.058405|0.108899|0.109064|0.107877|0.124300|0.215747|0.500000| |1.684614|1.808488|13.846643|2.064432|2.740180|2.073123|2.936603|2.927046|2.195717|0.056600|2.029467|1.961671|2.726130|1.795225|1.777088|1.736150|1.897938|3.357227|1.986965|1.583310|2.613580|3.084684|3.871984|3.792395|2.994003|2.590335|4.991251|2.331712|7.960345|6.567964|6.640468|4.563582|3.955149|4.287662|5.885322|8.796316|17.530047|0.049303|0.043876|0.044517|0.053684|0.046908|0.052737|0.050737|0.045561|0.047501|0.044325|0.055105|0.053565|0.061448|0.041103|0.043065|0.043855|0.082637|0.129147|0.063303|0.060501|0.061772|0.062583|0.217122|0.177132|0.107589|0.090113|0.099487|0.153342|0.500000| |1.571353|1.702326|12.877120|1.962407|2.661232|2.050298|2.876766|2.787900|2.191069|0.056053|2.083740|2.025807|2.768875|1.887280|1.900802|1.834779|1.975635|3.471278|2.180298|1.698418|2.606186|3.078330|3.866696|3.784853|2.985394|2.581988|4.978083|2.326756|7.957583|6.554512|6.633457|4.560598|3.954405|4.288740|5.889046|8.795870|17.528014|0.045356|0.040983|0.041831|0.050617|0.044767|0.053717|0.053687|0.047461|0.050647|0.046376|0.060996|0.059392|0.067403|0.043586|0.046533|0.047275|0.082467|0.129193|0.063120|0.061621|0.060374|0.062492|0.175850|0.217760|0.107499|0.090094|0.099522|0.153503|0.302310|0.500000| 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