Version2.0 2020-02-02T23:29:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 09-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)CCN(c1nc2ccccc2s1)C(=O)c3ccc(cc3)S(=O)(=O)N4C[C@H](O[C@@H](C4)C)C C36690278 RHF 6-31G(d) (6D,7F) CC[NH+](CC)CCN(c1nc2ccccc2s1)C(=O)c3ccc(cc3)S(=O)(=O)N4C[C@H](O[C@@H](C4)C)C C01[X(C26H35N4O4S2)] 207 C1 618 CC[NH+](CCN(C(=O)c1ccc(cc1)S(=O)(=O)N1C[C@@H](C)O[C@@H](C1)C)c1nc2c(s1)cccc2)CC CC[NH+](CCN(C(=O)c1ccc(cc1)S(=O)(=O)N1C[C@@H](C)O[C@@H](C1)C)c1nc2c(s1)cccc2)CC CC[NH+](CC)CCN(C(=O)c1ccc(cc1)[S](=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c3sc4ccccc4n3 InChIKey=USJKUFVGJLDZFQ-WOJBJXKFSA-O InChI=1S/C26H34N4O4S2/c1-5-28(6-2)15-16-30(26-27-23-9-7-8-10-24(23)35-26)25(31)21-11-13-22(14-12-21)36(32,33)29-17-19(3)34-20(4)18-29/h7-14,19-20H,5-6,15-18H2,1-4H3/p+1/t19-,20-/m1/s1 InChI=1/C26H34N4O4S2/c1-5-28(6-2)15-16-30(26-27-23-9-7-8-10-24(23)35-26)25(31)21-11-13-22(14-12-21)36(32,33)29-17-19(3)34-20(4)18-29/h7-14,19-20H,5-6,15-18H2,1-4H3/p+1/t19-,20-/m1/s1/fC26H35N4O4S2/h28H/q+1 CC[NH+](CC)CCN(c1nc2ccccc2s1)C(=O)c3ccc(cc3)S(=O)(=O)N4C[C@H](O[C@@H](C4)C)C C01[X(C26H35N4O4S2)] 207 C01 618 CC[NH+](CCN(C(=O)c1ccc(cc1)S(=O)(=O)N1C[C@@H](C)O[C@@H](C1)C)c1nc2c(s1)cccc2)CC CC[NH](CCN(C(=O)c1ccc(cc1)S(=O)(=O)N1C[C@@H](C)O[C@@H](C1)C)c1nc2c(s1)cccc2)CC CC[NH](CC)CCN(C(=O)c1ccc(cc1)[S](=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c3sc4ccccc4n3 InChIKey=NTVNMBZEIJHDDA-WOJBJXKFSA-N InChI=1S/C26H35N4O4S2/c1-5-28(6-2)15-16-30(26-27-23-9-7-8-10-24(23)35-26)25(31)21-11-13-22(14-12-21)36(32,33)29-17-19(3)34-20(4)18-29/h7-14,19-20,28H,5-6,15-18H2,1-4H3/t19-,20-/m1/s1 InChI=1/C26H35N4O4S2/c1-5-28(6-2)15-16-30(26-27-23-9-7-8-10-24(23)35-26)25(31)21-11-13-22(14-12-21)36(32,33)29-17-19(3)34-20(4)18-29/h7-14,19-20,28H,5-6,15-18H2,1-4H3/t19-,20-/m1/s1 4392.8745951812 -2316.9537152 1-A 27150.6729 141 477 618 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.28832 -92.07456 -20.66957 -20.63804 -20.63174 -20.63085 -15.85456 -15.75038 -15.68297 -15.67333 -11.49050 -11.46346 -11.44942 -11.44224 -11.43911 -11.42869 -11.38296 -11.37721 -11.37646 -11.37184 -11.36641 -11.36343 -11.36331 -11.36190 -11.36040 -11.35900 -11.35874 -11.35293 -11.35214 -11.34732 -11.32785 -11.32496 -11.32025 -11.31753 -11.28749 -11.28166 -9.25946 -9.08364 -6.94604 -6.94548 -6.94458 -6.76581 -6.76484 -6.76288 -1.55965 -1.54362 -1.49339 -1.46952 -1.43792 -1.43493 -1.36361 -1.33784 -1.28970 -1.23824 -1.22077 -1.21362 -1.17532 -1.16489 -1.16415 -1.14713 -1.14625 -1.10741 -1.09269 -1.08131 -1.04813 -1.04207 -1.03762 -1.03682 -1.03433 -1.00908 -0.96647 -0.95923 -0.93282 -0.90984 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1394.50 1402.24 1428.04 1445.08 1465.31 1477.96 1515.09 1548.16 1548.61 1571.48 1579.47 1590.36 1601.75 1609.00 1614.15 1616.91 1617.61 1621.68 1635.04 1671.77 1674.90 1696.64 1711.07 1719.26 1733.50 1766.76 1771.44 1773.24 1792.19 1812.52 1818.13 1831.27 1859.64 1860.84 1868.98 1879.34 1883.02 1884.96 1886.71 1904.59 1947.87 1973.65 1987.59 2010.29 2027.71 2041.81 2060.04 2072.54 2089.72 2098.64 2103.58 2130.44 2143.24 2161.18 2166.27 2190.84 2194.71 2201.10 2205.19 2220.95 2229.62 2230.44 2252.81 2260.19 2265.24 2272.24 2276.27 2277.81 2284.11 2305.29 2333.83 2342.43 2345.64 2348.17 2349.94 2353.52 2356.05 2359.37 2362.63 2363.85 2364.29 2374.45 2381.19 2385.06 2389.94 2404.91 2410.83 2478.92 2530.39 2547.20 2593.76 2604.99 2871.96 4540.33 4559.67 4626.21 4632.17 4633.31 4634.25 4659.88 4674.84 4719.62 4720.28 4722.82 4723.77 4727.19 4731.88 4737.92 4749.30 4758.87 4759.48 4760.23 4777.32 4794.42 4798.81 4800.09 4819.56 4833.34 4846.55 4849.92 4864.09 4869.66 4878.22 4881.99 4893.82 4913.34 4919.91 5304.99 0.640731 0.673819 0.674763 0.571240 -2316.312985 -2316.279896 -2316.278952 -2316.382475 3.472178D-04 MUNgauss RevisionA2.0 retrievium 02-Feb-2020 DUDE CC[NH+](CC)CCN(c1nc2ccccc2s1)C(=O)c3ccc(cc3)S(=O)(=O)N4C[C@H](O[C@@H](C4)C)C C36690278 RHF 6-31G(d) (6D,10F) C1 531.209974 |X|Y|Z| 67.916403 36.438491 145.636872 71.165385 24 6 7 8 16 18 3 1 2 |36.858105| |12.530323|36.858105| |7.565249|12.565808|53.358707| |7.544266|9.288815|25.704428|0.500000| |5.927274|7.601263|17.188870|0.259274|36.858105| |4.412450|4.983855|10.298556|0.208198|12.523938|36.858105| |5.016858|7.635743|17.211603|0.257849|7.619663|5.971224|36.858105| |4.466811|5.928100|10.361574|0.211579|5.027632|4.499595|12.435346|36.858105| |3.464280|4.415808|6.872595|0.134602|3.839993|3.517086|7.693771|13.091479|53.358707| |3.389896|4.332299|6.009830|0.114064|3.422199|3.015270|6.051373|7.896262|18.484156|36.858105| |4.014867|5.356065|6.680478|0.122690|3.685510|3.086024|6.234958|7.161567|11.217255|14.940049|53.358707| |3.412781|4.244003|5.099681|0.094844|3.025106|2.567304|4.377714|4.707640|7.359159|8.661244|18.653081|36.858105| |3.478882|4.161142|4.693044|0.087167|2.864743|2.399509|3.725742|3.792007|5.439992|5.397647|10.491296|13.683121|36.858105| |2.826219|3.224827|3.765404|0.071056|2.392326|2.054011|2.960238|3.013325|4.391123|4.169791|7.019219|7.998090|13.832628|36.858105| |2.416903|2.745745|3.352644|0.063921|2.154202|1.893165|2.702136|2.806029|4.262485|4.068680|6.252099|6.895581|7.890665|13.626972|36.858105| |2.389871|2.761994|3.482594|0.066607|2.215235|1.968544|2.912087|3.109717|4.990889|4.994117|7.125372|7.862662|6.775520|7.890048|13.818687|36.858105| |2.757283|3.301227|4.195797|0.079640|2.583278|2.272813|3.652418|4.016222|6.791260|7.843480|11.094797|13.732907|7.910970|6.933012|8.028097|13.711006|36.858105| 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|2.058267|2.163924|3.521906|0.077455|2.595191|3.141991|2.704924|2.799204|3.542255|2.184001|2.759563|1.772248|1.612398|1.455489|1.422015|1.525496|1.712073|13.777456|2.830352|4.495803|3.623391|4.005012|5.381098|6.934342|5.344605|3.996225|82.878885|13.748055|13.742921|53.358707| |2.221523|2.334253|3.876690|0.085134|2.972284|3.802862|2.905394|2.877546|3.541245|2.190440|2.812595|1.798649|1.648828|1.480763|1.433290|1.525943|1.714947|13.596561|2.734424|4.282569|3.422427|3.531823|4.332812|5.601532|5.154378|3.943947|50.761088|11.684298|8.875043|17.749255|36.858105| |2.099653|2.143931|3.467299|0.076508|2.692734|3.400915|2.504780|2.468905|3.025186|1.919282|2.507299|1.624396|1.511468|1.365957|1.316924|1.387635|1.543416|12.008485|2.289901|3.643390|2.737947|2.838412|3.341517|3.930576|3.656074|3.028931|34.424230|8.130421|7.013500|10.647059|12.463262|36.858105| |2.218548|2.250035|3.654472|0.080494|2.921896|3.796055|2.577756|2.479624|2.996689|1.913379|2.529247|1.638105|1.534592|1.383433|1.325183|1.388209|1.543603|11.880537|2.224394|3.524244|2.613245|2.640566|3.003175|3.495434|3.413263|2.911752|28.463705|6.983758|5.856023|7.750539|8.969155|17.581382|0.500000| |2.137344|2.140877|3.417137|0.076978|2.580795|3.174090|2.437783|2.467373|2.999520|1.907771|2.500026|1.619929|1.510342|1.364305|1.313114|1.381304|1.535879|11.917288|2.262927|3.608401|2.679671|2.853472|3.340569|3.691181|3.317609|2.844599|30.846590|6.762032|6.755201|9.401577|7.948570|13.538956|0.267262|73.516695| |1.988960|2.003843|3.159372|0.070972|2.319584|2.755281|2.307295|2.405224|2.983832|1.895131|2.453931|1.595655|1.478641|1.341449|1.301116|1.376765|1.528594|11.985899|2.300602|3.708679|2.748366|3.050636|3.697187|3.943811|3.331894|2.840446|34.445554|7.010146|8.118709|10.665028|6.670305|7.991500|0.162574|24.077861|36.858105| |1.794349|1.813380|2.828093|0.062579|2.091525|2.455813|2.080075|2.153302|2.717846|1.744334|2.256284|1.481116|1.376149|1.257301|1.225051|1.295614|1.428736|11.189196|2.108223|3.444266|2.496635|2.760114|3.345607|3.601825|3.057613|2.595038|33.314156|7.015191|8.204879|9.586130|5.850608|7.160887|0.145685|16.537204|17.562625|0.500000| |2.086429|2.150096|3.445805|0.077411|2.478007|2.936105|2.598662|2.771877|3.469726|2.151796|2.733483|1.757508|1.604244|1.447976|1.411620|1.510224|1.692965|13.552708|2.750068|4.388727|3.438293|3.976798|5.230181|5.627119|4.321662|3.537519|50.708150|8.864043|11.617821|17.709751|7.760238|6.648849|0.140240|14.103320|12.491455|0.248524|36.858105| |1.978742|1.953650|3.016037|0.068414|2.176658|2.515354|2.170908|2.298803|2.841787|1.827638|2.385705|1.559712|1.454311|1.322113|1.279495|1.347720|1.490697|11.584551|2.166887|3.519699|2.516737|2.815082|3.269830|3.276158|2.817517|2.515187|26.199236|5.441828|6.507367|6.844610|4.508957|5.188652|0.122218|14.372039|12.555205|0.247386|7.551468|36.858105| |1.804072|1.842663|2.910991|0.063035|2.262530|2.753290|2.124435|2.092678|2.628798|1.695624|2.213460|1.454989|1.360166|1.242246|1.205024|1.267835|1.395842|10.827653|2.005730|3.254430|2.359845|2.452684|2.878660|3.353541|3.117392|2.598250|30.983839|7.813191|6.665318|8.376553|7.473151|12.486910|0.248222|13.824415|6.294856|0.195539|5.178043|4.375938|36.858105| |17.585310|8.715981|9.205002|0.188470|6.374326|4.788219|4.459739|3.848451|4.145223|2.933300|4.573159|2.914102|2.969418|2.485843|2.157912|2.132976|2.423057|16.568221|2.559718|3.993638|2.507040|2.289492|2.146047|2.170617|2.341239|2.536504|13.715903|3.297537|3.098446|2.805914|2.262679|2.169655|0.064656|3.907481|2.011851|0.050464|2.079128|1.994500|1.861601|0.500000| |17.551239|8.793513|9.265949|0.219096|5.146559|4.208340|4.788967|4.660277|4.819486|3.390772|5.322682|3.287149|3.271909|2.682369|2.331580|2.332617|2.699457|18.618767|2.916989|4.512816|2.808220|2.595858|2.378423|2.331560|2.468294|2.720385|14.422381|3.386588|3.294994|2.938535|2.307344|2.186505|0.063711|4.030711|2.123261|0.052731|2.229333|2.142265|1.862823|0.300209|0.500000| |17.589828|8.948660|7.535881|0.149025|4.608815|3.567598|4.164277|3.826763|4.269775|3.196463|5.262497|3.451529|3.696164|3.020436|2.525008|2.438607|2.765065|18.073038|2.580579|4.095687|2.423353|2.213931|2.029588|2.007534|2.150271|2.377635|12.558217|3.005732|2.884437|2.514955|1.973370|1.877099|0.054801|3.400087|1.796174|0.045407|1.876060|1.798032|1.637032|0.302964|0.302859|0.500000| |8.767102|17.621309|12.408179|0.183521|7.461185|4.705376|6.602388|4.875193|5.370380|3.995868|6.731971|4.148432|4.215027|3.304523|2.784907|2.758710|3.241206|21.456878|3.105276|4.804604|2.883817|2.491219|2.260029|2.295961|2.580449|2.947282|14.032087|3.427203|3.151616|2.750482|2.191159|2.018923|0.059114|3.536862|1.856992|0.047143|1.981682|1.797534|1.757466|0.207936|0.172141|0.211963|0.500000| |8.815590|17.672290|12.341400|0.209340|5.640693|4.137634|7.653651|6.816818|7.034553|5.373075|9.964364|5.430173|5.195637|3.791122|3.173068|3.213717|3.969991|26.299643|3.775176|5.745433|3.342494|2.882412|2.523292|2.476638|2.737225|3.221211|14.738508|3.515198|3.348137|2.866977|2.225960|2.029343|0.058320|3.623067|1.940573|0.048904|2.105350|1.901458|1.756078|0.171960|0.211013|0.213721|0.303026|0.500000| |6.842718|7.546292|12.367861|0.212681|17.660920|8.869401|5.631947|4.160324|4.461407|3.026636|4.529910|2.821105|2.759212|2.325626|2.071361|2.093367|2.400353|16.990074|2.784352|4.259833|2.816710|2.488242|2.365829|2.494942|2.810110|3.028821|15.696211|3.867047|3.438503|3.201748|2.682461|2.510594|0.076340|4.331614|2.180603|0.054818|2.279422|2.077714|2.131308|0.234947|0.154828|0.145906|0.214549|0.148436|0.500000| |4.927642|6.632703|12.415852|0.183244|17.624521|8.760723|7.399786|4.685669|5.187971|3.476516|5.097601|3.118751|2.953561|2.475524|2.233999|2.297859|2.674322|19.279207|3.205744|4.843726|3.223078|2.717968|2.552536|2.745916|3.251808|3.623630|16.836907|4.234077|3.638006|3.314541|2.765467|2.485357|0.074302|4.173089|2.132491|0.054126|2.289375|1.987710|2.133777|0.142503|0.117500|0.114139|0.207396|0.145796|0.302484|0.500000| |4.558772|4.740178|9.264970|0.218289|8.797001|17.553727|5.190660|4.316435|4.529816|2.851138|3.971168|2.437669|2.289538|1.967126|1.813088|1.880613|2.162034|16.181406|3.002306|4.495966|3.310414|3.010637|2.994257|3.260816|3.621083|3.661650|20.690867|4.988466|4.371607|4.487533|4.009247|3.701345|0.116262|6.349744|3.037623|0.073753|3.180215|2.810114|2.907631|0.139589|0.126929|0.100918|0.118687|0.110397|0.212717|0.172147|0.500000| |3.797691|4.143933|7.540409|0.148632|8.941546|17.590146|4.629779|3.618110|4.061354|2.626812|3.662304|2.302358|2.182680|1.898747|1.756351|1.813820|2.061529|15.295956|2.720976|4.154379|2.962048|2.639280|2.639407|2.958438|3.413481|3.420901|19.233317|4.888905|4.039476|4.028969|3.650270|3.366556|0.107315|5.444169|2.619576|0.065870|2.726944|2.375264|2.783345|0.117680|0.099166|0.088439|0.114150|0.096835|0.214713|0.212207|0.302614|0.500000| |3.808757|4.447309|9.210755|0.186117|8.722608|17.588045|6.447313|4.906114|5.291674|3.207861|4.316246|2.609678|2.384322|2.045693|1.911519|2.017594|2.347158|18.079746|3.558649|5.205556|4.059332|3.469632|3.434415|3.943424|4.833648|4.950463|23.845801|5.941390|4.852030|4.886008|4.388888|3.677519|0.111213|5.952743|2.942277|0.072795|3.245301|2.619594|2.949301|0.109363|0.103239|0.087787|0.116322|0.108473|0.172564|0.207518|0.300282|0.302759|0.500000| |4.140891|5.646284|12.329737|0.207977|7.598347|6.893682|17.686072|8.820029|8.979787|5.025473|6.584806|3.656783|3.152231|2.600991|2.426347|2.626926|3.213887|25.522375|5.325126|7.243241|5.506900|4.127693|3.664189|3.935380|5.029738|6.513996|21.711253|5.304773|4.599259|4.095133|3.294382|2.759235|0.078952|4.657785|2.459423|0.061680|2.801516|2.259772|2.325595|0.108176|0.110689|0.096940|0.145590|0.149807|0.148925|0.215331|0.155457|0.146973|0.237612|0.500000| |4.742226|7.537258|12.401347|0.183625|6.498829|4.874107|17.688795|8.784340|9.855721|6.700671|10.169422|5.191603|4.367798|3.383073|3.048862|3.278933|4.180375|30.914300|5.009675|7.203645|4.391010|3.426587|2.958200|3.014633|3.592011|4.553960|17.251961|4.210732|3.813284|3.240463|2.537091|2.217951|0.063397|3.823428|2.046601|0.051919|2.280857|1.934379|1.921310|0.116222|0.120297|0.115041|0.204990|0.223710|0.142893|0.199126|0.116993|0.112649|0.141482|0.301143|0.500000| |5.150707|6.651653|9.901667|0.212258|4.656433|4.038905|8.811321|17.634475|12.581290|7.537432|10.750757|5.119733|4.195081|3.252831|2.959997|3.223728|4.162176|32.244388|5.946398|8.237100|5.019258|4.225057|3.440378|3.215581|3.505530|4.360397|18.013833|4.148478|4.098732|3.448854|2.594037|2.289160|0.064099|4.140272|2.274966|0.056571|2.569912|2.225131|1.951235|0.116643|0.155637|0.123382|0.142534|0.236000|0.113181|0.117958|0.111454|0.091760|0.115637|0.174401|0.201644|0.500000| |4.054497|4.926824|8.986991|0.206836|4.761961|4.693110|8.857626|17.657150|12.524082|5.793109|7.015459|3.757860|3.140397|2.589177|2.445925|2.696959|3.354999|28.121446|7.449540|9.164488|7.802660|6.133314|4.839483|4.529706|5.041050|6.595702|23.455668|5.262014|5.162577|4.458752|3.335004|2.802183|0.077287|5.024977|2.772134|0.067854|3.278182|2.632159|2.326974|0.100506|0.121659|0.095702|0.113902|0.146083|0.109805|0.119254|0.130084|0.103529|0.147210|0.221821|0.174270|0.302843|0.500000| |4.126878|4.928330|5.170169|0.095119|3.131476|2.557882|3.894535|3.835037|5.162832|4.791898|9.444320|8.880035|17.725177|8.901604|5.613464|4.901806|5.631207|28.738713|3.009213|5.053019|2.543668|2.249990|1.973596|1.914297|2.080129|2.413976|11.665548|2.818930|2.724361|2.211915|1.677054|1.547118|0.043927|2.753573|1.504586|0.038770|1.620706|1.483716|1.385990|0.095740|0.104794|0.126329|0.140553|0.173474|0.085407|0.088946|0.067976|0.064517|0.069307|0.090057|0.126313|0.120488|0.088298|0.500000| |2.725152|3.018877|3.485408|0.066035|2.256210|1.938603|2.661128|2.666175|3.781700|3.426926|5.653941|5.670461|8.961848|17.728957|8.899057|5.637350|4.984119|24.395221|2.384099|4.206418|2.041938|1.850300|1.645851|1.593655|1.708501|1.941478|9.904973|2.410419|2.348861|1.860305|1.395340|1.297845|0.036631|2.306889|1.272135|0.033185|1.361908|1.257783|1.184207|0.067265|0.071339|0.082550|0.086975|0.095998|0.061901|0.064713|0.051765|0.050218|0.053121|0.065549|0.083420|0.079984|0.064663|0.214693|0.500000| |2.154633|2.398957|2.953147|0.056684|1.931785|1.715641|2.348790|2.423566|3.640023|3.329795|4.966002|4.965063|5.636314|8.890683|17.733189|8.963001|5.684255|27.372466|2.401148|4.435971|2.025825|1.847049|1.633631|1.568709|1.672503|1.903778|9.733371|2.371683|2.333779|1.795486|1.327544|1.226338|0.034261|2.173930|1.213366|0.031868|1.310002|1.195208|1.129153|0.054119|0.057851|0.062717|0.067856|0.075341|0.051949|0.055611|0.045774|0.044591|0.048041|0.059463|0.072620|0.070549|0.059761|0.123842|0.215514|0.500000| |2.122753|2.420908|3.118469|0.060174|2.013620|1.820163|2.608335|2.796556|4.527179|4.310790|5.776955|5.605714|4.902318|5.616133|8.908302|17.732037|8.854884|44.119411|3.078042|6.008786|2.480844|2.237120|1.931046|1.829849|1.955596|2.274716|11.119925|2.697743|2.676592|2.010181|1.467165|1.333842|0.036907|2.358040|1.329306|0.034910|1.460154|1.299946|1.226408|0.053265|0.057944|0.059776|0.067051|0.076695|0.052803|0.057983|0.048396|0.046856|0.052136|0.066712|0.080168|0.079273|0.068847|0.106673|0.123941|0.215120|0.500000| |2.368872|2.619332|4.069301|0.088254|2.583955|2.683282|3.534559|4.606574|6.971637|3.976124|4.455031|2.768725|2.335841|2.075485|2.087960|2.372898|2.795336|25.484747|7.131924|11.710582|8.911258|17.735251|8.921295|5.652924|4.943672|5.637424|27.738358|5.747523|6.898659|4.674564|3.033466|2.535317|0.065795|4.624709|2.810597|0.071020|3.556175|2.682535|2.219483|0.061032|0.070476|0.060277|0.065857|0.077723|0.064104|0.068708|0.075272|0.065761|0.083428|0.099456|0.087819|0.114975|0.151438|0.062625|0.052077|0.052535|0.064247|0.500000| |2.069129|2.223519|3.514643|0.076969|2.377177|2.619336|2.887242|3.353755|4.604357|2.758125|3.297008|2.103711|1.850179|1.669602|1.665359|1.839079|2.093524|17.853097|4.123620|6.749021|5.645392|8.912574|17.758068|8.918711|5.635834|4.949128|47.114720|8.172677|13.246650|7.245608|4.056564|3.260910|0.080091|5.969769|3.904711|0.099202|5.622935|3.515693|2.864166|0.055119|0.061230|0.052378|0.056764|0.063233|0.059469|0.062813|0.074702|0.065786|0.082335|0.085309|0.071305|0.084135|0.111292|0.050545|0.042781|0.042625|0.050009|0.214772|0.500000| |2.306824|2.617934|4.446964|0.091363|3.301532|3.899989|3.827355|3.724142|4.959951|2.929808|3.573474|2.244358|1.982889|1.767596|1.737615|1.901284|2.182613|18.198634|4.093373|6.236927|5.638013|4.946098|5.638305|8.923106|17.755178|8.900145|47.206126|13.441226|8.219447|7.152412|5.477400|3.827848|0.100510|5.886777|3.232137|0.083855|4.022952|2.686654|3.320429|0.063172|0.064740|0.057285|0.069575|0.071308|0.078007|0.091640|0.100487|0.100269|0.138940|0.131672|0.094138|0.086210|0.116739|0.054776|0.045360|0.044228|0.050995|0.107467|0.124249|0.500000| |2.755837|3.357790|5.806704|0.112839|3.959165|4.147675|5.984693|5.772831|8.454284|4.554221|5.228604|3.118183|2.624346|2.274705|2.236043|2.510396|3.018430|26.495437|6.972875|9.488916|8.884974|5.633611|4.946737|5.659032|8.941954|17.712639|27.775225|6.932322|5.761127|4.657406|3.518586|2.782617|0.076003|4.595943|2.530079|0.064786|3.030351|2.258614|2.416888|0.072817|0.076227|0.068315|0.089143|0.094769|0.089891|0.114302|0.102449|0.100735|0.145605|0.219026|0.148563|0.120869|0.167039|0.071378|0.056982|0.055624|0.066329|0.123996|0.107502|0.215047|0.500000| |2.543757|2.691248|4.617824|0.103237|3.536393|4.731787|3.434241|3.375783|4.017874|2.440719|3.142956|1.978181|1.805901|1.604209|1.542071|1.642320|1.864593|14.787277|3.049830|4.660312|3.857052|3.879557|4.601556|5.863522|5.720420|4.495342|43.469146|9.765180|7.843293|12.337194|17.462728|8.870918|0.224655|12.563629|5.804790|0.134057|6.920310|4.321124|5.497441|0.071945|0.073707|0.061773|0.069332|0.070698|0.086976|0.089357|0.141601|0.121297|0.156681|0.109622|0.081096|0.083532|0.111241|0.051281|0.041868|0.039435|0.043552|0.091347|0.115099|0.163065|0.110895|0.500000| |2.115036|2.250515|3.726223|0.079834|2.913736|3.709464|2.832625|2.742403|3.435768|2.140635|2.744208|1.765070|1.618668|1.459188|1.416774|1.509382|1.690939|13.408230|2.661007|4.197901|3.307019|3.313615|3.994117|5.354155|5.297476|3.957282|49.456081|14.066981|8.423100|12.460186|17.663828|8.833772|0.207890|10.176458|4.998531|0.131674|5.651761|3.633773|7.049749|0.059961|0.060123|0.052482|0.059563|0.059560|0.072686|0.077099|0.104007|0.101739|0.120733|0.090706|0.069714|0.068124|0.086350|0.045600|0.038202|0.036515|0.040416|0.078760|0.102240|0.171796|0.100567|0.299394|0.500000| |1.924042|1.985480|3.126992|0.069581|2.223219|2.562452|2.387883|2.586153|3.319816|2.076570|2.618338|1.697966|1.546841|1.405343|1.380051|1.481794|1.653122|13.313788|2.679008|4.361354|3.321897|3.988088|5.366966|5.375360|3.990073|3.320312|49.347208|8.396966|13.935874|12.455737|5.656263|4.997543|0.110617|10.179413|8.865838|0.219680|17.660971|6.726565|4.359537|0.052854|0.057081|0.048559|0.050995|0.054624|0.057050|0.057679|0.075973|0.066331|0.078232|0.070784|0.058973|0.067026|0.083990|0.043130|0.036686|0.035681|0.040041|0.101540|0.176488|0.101775|0.078775|0.141659|0.127492|0.500000| |2.333606|2.403298|3.898545|0.089511|2.741820|3.248801|2.931507|3.198605|3.909382|2.385076|3.027469|1.920819|1.744358|1.560371|1.513814|1.622029|1.835238|14.734425|3.075234|4.811386|3.884922|4.551231|5.839581|5.903385|4.592577|3.891960|43.480267|7.852529|9.715733|12.299905|6.889364|5.760767|0.132320|12.474754|8.862360|0.174701|17.472361|7.060753|4.306259|0.064114|0.070213|0.057725|0.060610|0.065508|0.069618|0.069291|0.099618|0.081576|0.099854|0.087063|0.070195|0.082417|0.108361|0.049088|0.040635|0.038812|0.043315|0.112651|0.168737|0.114113|0.091289|0.202259|0.141361|0.299327|0.500000| |1.879972|1.837403|2.805041|0.063207|2.050204|2.359464|1.995450|2.082615|2.577453|1.678839|2.210874|1.456700|1.369821|1.250643|1.208011|1.264805|1.390298|10.691730|1.945554|3.178800|2.221467|2.435520|2.769286|2.806328|2.482152|2.236860|22.442968|4.857858|5.548939|5.679412|3.961866|4.846395|0.118628|13.043193|8.893569|0.214438|5.510755|17.593590|4.310132|0.053107|0.056249|0.047713|0.047267|0.049411|0.055022|0.052115|0.073209|0.062834|0.067236|0.057513|0.049815|0.056365|0.065169|0.038941|0.033214|0.031453|0.033890|0.064770|0.081548|0.066823|0.056701|0.104796|0.091562|0.139243|0.142967|0.500000| |1.849908|1.834766|2.802551|0.063113|1.999422|2.267000|2.044797|2.194869|2.759944|1.783304|2.313343|1.521017|1.414976|1.292587|1.258208|1.329261|1.465427|11.440786|2.129948|3.501910|2.463009|2.813170|3.282430|3.189056|2.693767|2.419445|25.514963|5.229982|6.706643|6.243601|3.896392|4.220473|0.100174|10.234595|8.831162|0.213218|6.848578|17.557312|3.774188|0.051329|0.055624|0.047081|0.046968|0.050131|0.052952|0.051175|0.069258|0.059363|0.065880|0.058814|0.050991|0.059195|0.069502|0.039879|0.034122|0.032718|0.035776|0.075740|0.101508|0.070635|0.060074|0.103186|0.090131|0.198750|0.174991|0.300875|0.500000| |2.194895|2.146171|3.322599|0.076725|2.366688|2.730616|2.362085|2.526413|3.066016|1.962583|2.573794|1.670184|1.556734|1.406070|1.353440|1.424037|1.583667|12.276671|2.310331|3.715026|2.670720|2.979764|3.379844|3.321616|2.893279|2.635690|24.999128|5.194324|6.070056|6.368569|4.365773|4.813647|0.119154|12.932733|8.843978|0.173839|6.853099|17.559325|3.859279|0.061293|0.066960|0.055006|0.054211|0.057959|0.062855|0.059227|0.086484|0.070486|0.078302|0.067631|0.057899|0.068540|0.081192|0.044307|0.037122|0.034990|0.037964|0.079274|0.099337|0.075613|0.065668|0.123831|0.097366|0.164049|0.210934|0.301412|0.299902|0.500000| |1.707326|1.752776|2.753422|0.059492|2.104910|2.512459|2.040903|2.040149|2.599704|1.675835|2.169699|1.430122|1.331303|1.219920|1.190263|1.257658|1.382570|10.804235|2.013146|3.293141|2.384022|2.522934|3.024127|3.517235|3.160298|2.602697|34.813041|8.645020|7.759173|9.257782|6.858515|8.722617|0.173497|11.857420|6.542642|0.229595|5.609895|4.435979|17.600635|0.048474|0.049094|0.043247|0.046393|0.046861|0.054855|0.055509|0.073061|0.069623|0.075463|0.061901|0.051464|0.052774|0.063132|0.037475|0.032237|0.031021|0.033942|0.063525|0.085236|0.092572|0.066483|0.138575|0.181579|0.137412|0.122385|0.118390|0.110751|0.105421|0.500000| |1.731141|1.745143|2.719195|0.058985|2.113057|2.536171|1.958796|1.931541|2.422364|1.578870|2.076303|1.373082|1.292521|1.184340|1.146780|1.200493|1.315253|10.114374|1.832802|2.990481|2.119046|2.204380|2.539080|2.863940|2.675912|2.294690|25.280474|6.270023|5.689505|6.499000|5.483287|8.870712|0.211312|12.867011|5.813910|0.184359|4.444462|4.389200|17.576445|0.049851|0.049736|0.043848|0.046272|0.046136|0.056094|0.055190|0.075136|0.071616|0.073758|0.058787|0.049482|0.050629|0.059209|0.036684|0.031490|0.029930|0.032251|0.056248|0.070860|0.078059|0.059752|0.123790|0.141696|0.106976|0.105677|0.127880|0.104292|0.106112|0.300417|0.500000| 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