Version2.0 2019-11-13T02:15:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1cc2c(=O)c(c(oc2c(c1O)C[NH+]3CCCC[C@H]3CC)C(F)(F)F)c4nc5ccccc5s4 C28120953 RHF 6-31G(d) (6D,7F) CCc1cc2c(=O)c(c(oc2c(c1O)C[NH+]3CCCC[C@H]3CC)C(F)(F)F)c4nc5ccccc5s4 C01[X(C27H28F3N2O3S1)] 186 C1 600 CC[C@@H]1CCCC[NH+]1Cc1c(O)c(CC)cc2c1oc(c(c2=O)c1nc2c(s1)cccc2)C(F)(F)F CC[C@@H]1CCCC[NH]1Cc1c(O)c(CC)cc2c1oc(c(c2=O)c1nc2c(s1)cccc2)C(F)(F)F CC[C@@H]1CCCC[NH]1Cc2c(O)c(CC)cc3C(=O)C(=C(Oc23)C(F)(F)F)c4sc5ccccc5n4 InChIKey=BBGOLBPPQJGXNY-MRXNPFEDSA-N InChI=1S/C27H28F3N2O3S/c1-3-15-13-17-23(34)21(26-31-19-10-5-6-11-20(19)36-26)25(27(28,29)30)35-24(17)18(22(15)33)14-32-12-8-7-9-16(32)4-2/h5-6,10-11,13,16,32-33H,3-4,7-9,12,14H2,1-2H3/t16-/m1/s1 InChI=1/C27H28F3N2O3S/c1-3-15-13-17-23(34)21(26-31-19-10-5-6-11-20(19)36-26)25(27(28,29)30)35-24(17)18(22(15)33)14-32-12-8-7-9-16(32)4-2/h5-6,10-11,13,16,32-33H,3-4,7-9,12,14H2,1-2H3/t16-/m1/s1 CCc1cc2c(=O)c(c(oc2c(c1O)C[NH+]3CCCC[C@H]3CC)C(F)(F)F)c4nc5ccccc5s4 C01[X(C27H28F3N2O3S1)] 186 C01 600 CC[C@@H]1CCCC[NH+]1Cc1c(O)c(CC)cc2c1oc(c(c2=O)c1nc2c(s1)cccc2)C(F)(F)F CC[C@@H]1CCCC[NH]1Cc1c(O)c(CC)cc2c1oc(c(c2=O)c1nc2c(s1)cccc2)C(F)(F)F CC[C@@H]1CCCC[NH]1Cc2c(O)c(CC)cc3C(=O)C(=C(Oc23)C(F)(F)F)c4sc5ccccc5n4 InChIKey=BBGOLBPPQJGXNY-MRXNPFEDSA-N InChI=1S/C27H28F3N2O3S/c1-3-15-13-17-23(34)21(26-31-19-10-5-6-11-20(19)36-26)25(27(28,29)30)35-24(17)18(22(15)33)14-32-12-8-7-9-16(32)4-2/h5-6,10-11,13,16,32-33H,3-4,7-9,12,14H2,1-2H3/t16-/m1/s1 InChI=1/C27H28F3N2O3S/c1-3-15-13-17-23(34)21(26-31-19-10-5-6-11-20(19)36-26)25(27(28,29)30)35-24(17)18(22(15)33)14-32-12-8-7-9-16(32)4-2/h5-6,10-11,13,16,32-33H,3-4,7-9,12,14H2,1-2H3/t16-/m1/s1 4210.2054729807 -2067.8946771 1-A 22506.5863 135 465 600 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 10130.5260 32758.3002 38251.9344 0.99997 0.00781 0.00143 -0.00780 0.99997 -0.00112 -0.00144 0.00111 1.00000 1 0.00855 0.00264 0.00226 0.17815 0.05509 0.04718 18.99 20.84 31.36 35.40 45.63 63.27 68.14 79.70 106.07 118.85 145.26 156.23 172.63 188.59 204.04 209.50 224.69 235.36 257.64 306.30 308.02 319.82 356.64 376.16 403.04 422.63 428.59 438.23 462.34 501.95 511.99 522.01 533.64 545.61 557.58 564.86 584.76 600.75 635.40 669.06 681.39 699.66 721.72 729.40 753.04 778.81 790.10 814.55 828.13 836.15 849.92 879.32 897.87 909.46 961.23 975.10 1016.23 1058.89 1088.67 1101.33 1111.17 1123.21 1179.87 1181.41 1191.42 1208.35 1220.98 1235.81 1239.03 1253.49 1266.90 1280.26 1292.40 1323.21 1378.79 1385.65 1408.64 1425.19 1450.93 1463.80 1477.05 1484.44 1528.80 1555.44 1558.16 1560.71 1590.59 1603.86 1606.11 1618.55 1621.12 1628.73 1656.61 1686.98 1691.30 1699.94 1703.64 1723.30 1753.08 1762.97 1770.05 1812.85 1836.89 1864.56 1876.27 1911.37 1936.92 1942.26 1951.62 1960.70 1966.89 1977.61 1982.42 1995.29 2003.30 2024.15 2040.48 2047.28 2053.62 2082.38 2084.05 2100.62 2121.94 2137.82 2151.80 2175.07 2206.04 2216.99 2224.42 2231.78 2242.89 2250.07 2256.36 2265.16 2282.67 2292.53 2323.31 2337.98 2341.72 2345.48 2350.61 2353.83 2357.02 2360.12 2360.69 2367.69 2368.22 2373.26 2380.97 2387.43 2395.04 2524.15 2555.50 2594.79 2600.59 2614.57 2722.74 2858.79 4581.37 4598.45 4613.51 4613.99 4616.63 4630.42 4633.11 4684.95 4692.25 4705.70 4716.12 4717.54 4721.01 4724.19 4734.04 4739.53 4751.22 4765.48 4781.39 4828.63 4851.83 4869.48 4885.62 4889.38 4895.35 4896.24 5300.72 5906.28 0.554874 0.585600 0.586544 0.488955 -2067.339803 -2067.309077 -2067.308133 -2067.405722 3.273151D-04 MUNgauss RevisionA1.9 retrievium 13-Nov-2019 DUDE CCc1cc2c(=O)c(c(oc2c(c1O)C[NH+]3CCCC[C@H]3CC)C(F)(F)F)c4nc5ccccc5s4 C28120953 RHF 6-31G(d) (6D,10F) C1 517.177241 |X|Y|Z| 66.470519 38.258703 128.935377 68.956806 26 6 7 8 16 22 2 1 1 |36.858105| |12.410826|36.858105| |7.457905|12.556210|36.858105| |5.488833|7.547510|13.837127|36.858105| |4.067873|4.982670|7.838670|13.640361|36.858105| |3.264179|3.788776|5.037810|7.600059|12.914536|36.858105| |3.173460|3.646269|4.498522|6.662597|8.118808|15.977196|73.516695| |2.693628|3.021691|3.866914|5.005702|7.624644|12.771771|14.372483|36.858105| |2.634662|2.941344|3.818536|4.590198|6.914529|7.847012|9.626196|14.358062|36.858105| |2.973540|3.368044|4.602319|5.247179|8.025753|6.771096|8.454891|8.049482|14.113776|73.516695| |3.728647|4.419415|6.819379|7.988734|13.836506|7.717611|9.502959|6.829021|8.122775|25.157461|36.858105| |4.165352|4.959011|7.774267|6.856802|7.873027|5.062431|7.114240|4.558631|5.305421|14.501385|13.672581|36.858105| |5.738780|7.462632|13.571611|8.042139|6.902400|4.498386|6.786808|3.783349|4.034916|9.430178|8.012783|13.738647|36.858105| |5.571910|6.500215|7.890646|5.248859|4.636426|3.412180|5.347961|3.013477|3.241107|7.297395|5.323167|8.260362|14.096023|73.516695| |3.354152|3.767612|4.989075|4.451085|5.007633|3.809443|5.561899|3.753656|4.590147|12.075573|7.513999|12.662210|7.595469|12.470353|36.858105| |3.281880|3.420698|4.224620|3.723765|4.010149|3.206264|4.831864|3.180944|3.778309|8.996065|5.361390|7.566354|5.975781|11.272686|12.604926|53.358707| |3.747238|3.818894|4.593226|3.826966|3.894299|3.070763|4.716370|2.942777|3.359400|7.733172|4.919177|7.169229|6.670429|14.426896|9.375779|25.674511|0.500000| |3.163664|3.183160|3.933433|3.684159|4.111270|3.399164|5.087639|3.458676|4.141641|9.558238|5.382029|6.400169|5.053331|8.609084|7.665128|17.202826|0.257595|36.858105| |2.930916|2.807353|3.249066|3.021022|3.216109|2.772287|4.315598|2.798020|3.193731|6.762690|3.840921|4.390635|3.919859|7.109414|4.961294|10.355559|0.197892|12.537587|36.858105| |2.473277|2.402802|2.712227|2.520600|2.672489|2.352498|3.704976|2.409752|2.758777|5.733340|3.167943|3.613581|3.250431|6.106529|4.353175|8.812338|0.164218|7.604661|12.508109|36.858105| |2.526361|2.501373|2.806886|2.537720|2.651446|2.291249|3.609112|2.316977|2.654581|5.635765|3.177732|3.809936|3.471425|6.888451|4.927993|10.425072|0.199165|6.571195|7.612046|12.476649|36.858105| |2.669762|2.755940|3.211525|2.892151|3.086257|2.606227|4.022721|2.648602|3.121731|6.951978|3.890180|4.896981|4.179737|8.211850|7.477651|16.938359|0.256196|7.588319|6.415242|7.445280|12.430683|36.858105| |2.417214|2.519086|2.961227|2.760758|3.035848|2.625792|4.025262|2.752750|3.327843|7.351884|3.865565|4.577369|3.744857|6.936272|6.908713|12.433916|0.181944|7.108742|5.786011|6.821774|8.836512|17.570669|0.500000| |2.576108|2.715176|3.077394|2.719001|2.824947|2.388491|3.740286|2.389353|2.755225|6.021160|3.457764|4.384672|3.974076|8.261402|6.403108|10.246542|0.194499|4.919802|4.338682|4.851313|7.454087|12.400571|0.245136|36.858105| |2.162324|2.246473|2.470716|2.231645|2.311737|2.019935|3.215587|2.042718|2.324543|4.865629|2.731325|3.251487|3.015140|6.097067|4.285861|6.628120|0.128521|3.753658|3.575076|4.272533|6.315620|7.423758|0.183358|12.430109|36.858105| |2.219955|2.420538|2.994831|3.384206|4.489719|4.889889|6.897837|7.420484|12.561800|14.711621|5.296934|4.131742|3.233146|4.904996|4.027317|4.736388|0.084258|3.846924|3.059511|2.751151|2.620049|3.057568|0.094353|2.678613|2.322728|36.858105| |1.990365|2.157436|2.593208|2.951082|3.763369|4.365332|6.549369|6.605306|8.069425|9.771539|4.080439|3.284204|2.711565|4.177883|3.170637|3.827042|0.069879|3.073252|2.569771|2.347540|2.233747|2.536330|0.077303|2.273544|2.020926|14.623208|97.533100| |2.192575|2.326994|2.844667|3.127928|3.996523|4.162144|6.041072|5.668404|8.215609|12.332816|4.773455|3.955308|3.117045|4.832802|3.998758|5.041984|0.088383|4.388710|3.519599|3.142077|2.874515|3.281026|0.102960|2.758108|2.404431|14.428298|20.068973|97.533100| |2.129412|2.347112|2.883348|3.147301|4.027363|4.107201|5.935885|5.475835|8.233147|13.225458|4.943085|4.130446|3.200312|4.963678|4.314309|4.900063|0.085835|3.747096|2.965141|2.763526|2.719792|3.276489|0.103771|2.932307|2.549333|14.425066|20.168490|20.142597|97.533100| |2.301212|2.519658|3.040540|3.779591|4.943374|7.488070|11.955376|12.809909|7.672930|9.048877|4.457983|3.364901|2.935802|4.348216|2.924045|3.517712|0.067073|2.819952|2.391867|2.102763|2.004677|2.234573|0.064788|2.034159|1.784986|6.128989|15.492137|11.064863|10.293341|36.858105| |2.164984|2.303493|2.722451|3.283198|4.096850|5.581917|9.336867|7.921175|6.030610|7.692175|3.806233|3.000522|2.647663|4.002415|2.667944|3.328934|0.063564|2.741110|2.383418|2.091890|1.955620|2.136187|0.062064|1.921337|1.702973|5.479323|14.298602|11.088347|9.102651|15.046302|53.358707| |1.905433|2.016270|2.314487|2.731629|3.238160|4.202092|7.529772|5.279143|4.321757|5.935242|3.012892|2.478124|2.238824|3.457012|2.246837|2.830564|0.054502|2.290542|2.041246|1.827696|1.718283|1.857147|0.053884|1.694556|1.525495|4.203128|11.501492|8.633309|7.542188|8.710060|18.681120|36.858105| |1.742236|1.810545|2.040285|2.350545|2.701918|3.313463|5.967265|3.925534|3.434186|4.973234|2.554691|2.169006|1.983125|3.117104|1.999638|2.576730|0.049834|2.099269|1.917118|1.729493|1.611109|1.712798|0.049650|1.560065|1.419906|3.461238|9.209360|7.540053|6.403037|5.418827|10.518306|13.671015|36.858105| |1.571571|1.633019|1.811474|2.061833|2.318017|2.781840|5.094970|3.180654|2.829574|4.215182|2.193647|1.898175|1.756774|2.792981|1.765196|2.277209|0.044278|1.826628|1.684856|1.540476|1.447025|1.532455|0.044325|1.412445|1.297643|2.872278|7.595021|6.212085|5.537635|4.180465|7.031010|8.000919|13.849909|36.858105| |1.529491|1.607253|1.776398|2.026202|2.266685|2.733697|5.077024|3.091818|2.725637|4.069333|2.130249|1.844510|1.714493|2.725400|1.712646|2.183006|0.042530|1.722429|1.578846|1.451954|1.380954|1.472889|0.042546|1.373209|1.263077|2.743367|7.295328|5.754494|5.407534|4.075411|6.257905|6.901870|7.893173|13.608711|36.858105| |1.632927|1.741875|1.943251|2.247846|2.546171|3.155568|5.906590|3.613453|3.094464|4.529914|2.366205|2.017573|1.866741|2.937129|1.855447|2.325565|0.045222|1.819026|1.642661|1.505839|1.444027|1.558461|0.045024|1.459414|1.333362|3.056573|8.238280|6.174247|6.018313|4.990402|7.114186|7.851110|6.763569|7.876122|13.828876|36.858105| |1.830787|1.966857|2.240659|2.647535|3.098605|4.034661|7.459039|4.890927|3.970870|5.541481|2.851555|2.360066|2.151453|3.328939|2.139744|2.654096|0.051310|2.093702|1.860161|1.684461|1.610133|1.753119|0.050753|1.627140|1.469494|3.823627|10.522075|7.513213|7.215342|7.840591|11.059649|13.691440|7.892863|6.924980|8.034746|13.700354|36.858105| |2.043148|2.260615|2.635562|3.202466|3.882862|5.383113|9.807570|6.735174|5.029769|6.778565|3.490313|2.790129|2.515180|3.809491|2.475077|2.967336|0.057212|2.296313|1.987619|1.791649|1.739122|1.933428|0.055869|1.809245|1.612006|4.471560|11.858758|8.140397|8.538361|10.893150|10.048504|7.430698|4.880556|4.255585|4.695753|6.709991|10.917209|388.023441| |17.533827|8.703140|6.712263|4.854309|3.850663|3.067407|5.168565|2.609854|2.619206|5.357088|3.740739|4.391361|6.082792|11.634569|3.646468|5.070961|0.123062|3.548054|3.345785|2.792907|2.873126|2.995752|0.073743|2.868216|2.379836|2.236919|4.468127|5.045573|4.858385|2.221415|2.866997|1.847836|1.698632|1.528965|1.480236|1.572662|1.762772|13.898410|0.500000| |17.575545|8.782494|6.762484|5.692117|4.245183|3.489274|6.130396|2.841407|2.727584|5.366547|3.757076|3.985439|5.130523|8.299278|3.180174|4.267750|0.097150|3.160547|2.945911|2.443817|2.429601|2.544207|0.064889|2.399418|2.030408|2.280781|4.624440|5.096499|4.831747|2.442971|3.159390|2.034002|1.863638|1.671190|1.615830|1.719380|1.935539|15.224550|0.302187|0.500000| |17.574650|8.791570|5.465682|4.348836|3.362414|2.814361|4.960826|2.362951|2.303067|4.540435|3.099397|3.411756|4.455999|8.047954|2.867532|3.843128|0.088745|2.710337|2.567139|2.222057|2.280529|2.378854|0.060074|2.334802|2.000984|1.975933|4.037989|4.387300|4.290720|2.063467|2.655602|1.744001|1.607399|1.464618|1.431072|1.522031|1.687273|13.279377|0.301790|0.301536|0.500000| |8.797639|17.492488|8.840087|5.749495|4.220524|3.291184|5.596540|2.721146|2.699021|5.525769|3.961050|4.622734|6.863731|12.290044|3.714450|4.566080|0.105027|3.002614|2.666226|2.341541|2.499237|2.770465|0.069738|2.825147|2.340044|2.269980|4.561005|4.900452|5.054709|2.291632|2.850149|1.851995|1.669797|1.518175|1.501799|1.626619|1.821086|14.877796|0.206856|0.172673|0.213561|0.500000| |8.863684|17.592351|8.978609|7.303011|4.766718|3.830863|6.868148|2.991488|2.826068|5.558246|3.998357|4.181777|5.613968|8.590804|3.243570|3.981413|0.088198|2.777396|2.468699|2.138082|2.204377|2.416042|0.062443|2.385656|2.014037|2.322602|4.737680|4.966441|5.037711|2.539545|3.142234|2.041547|1.828130|1.658404|1.644072|1.789820|2.013326|16.525535|0.172560|0.212094|0.213264|0.307274|0.500000| |5.280623|6.974793|8.943653|17.734743|8.995064|7.107448|13.266835|4.595321|3.992775|7.549464|5.697820|4.945585|5.676347|7.476253|3.558596|4.204875|0.088332|3.099139|2.640423|2.234801|2.233843|2.490596|0.066437|2.362613|1.985731|3.030948|6.157054|6.301364|6.294611|3.694315|4.393965|2.743260|2.365922|2.092068|2.068944|2.299611|2.688840|22.989268|0.123035|0.159155|0.121326|0.146579|0.221151|0.500000| |6.570370|7.720004|7.664161|4.961400|4.149178|3.146942|5.079446|2.742245|2.873544|6.215891|4.439349|6.086173|9.909595|35.694817|5.213632|6.647417|0.168196|3.979048|3.471380|3.032667|3.385465|3.848929|0.091759|3.970218|3.083950|2.461914|4.812330|5.439472|5.576585|2.270798|2.854657|1.832885|1.660994|1.498749|1.467322|1.578376|1.775071|14.372988|0.216825|0.141211|0.150413|0.255859|0.151437|0.115404|0.500000| |3.261225|3.733163|4.711610|4.054981|4.314179|3.357154|5.048400|3.258237|3.835994|9.299292|5.833903|9.010407|7.039564|13.248401|17.735794|12.395146|0.226339|5.618057|4.152407|3.869660|4.652613|7.053943|0.173425|7.550285|4.785997|3.438217|6.316920|7.530528|8.488981|2.609646|3.231168|2.040467|1.824645|1.631726|1.597357|1.731917|1.972877|16.247475|0.098341|0.083650|0.078885|0.106979|0.089189|0.092047|0.155554|0.500000| |2.879198|3.211529|4.155680|3.981516|4.744615|3.832173|5.525552|4.022248|5.249240|14.241919|7.192730|8.869494|5.608189|8.975154|17.669067|12.368913|0.182407|7.023792|4.602653|4.192426|4.581530|6.889429|0.208756|5.761570|4.142091|4.851325|8.243204|10.755127|12.407195|3.126255|3.867158|2.380924|2.107222|1.853529|1.798226|1.953943|2.265201|18.698707|0.085132|0.077360|0.069543|0.087387|0.079423|0.090732|0.112509|0.301460|0.500000| |2.755023|2.825670|3.484143|3.403921|3.962007|3.415119|5.059015|3.665857|4.608970|10.541784|5.262889|5.694350|4.319343|7.167415|7.047437|12.418975|0.181588|17.605460|8.788848|6.838617|5.817617|6.993669|0.216795|4.617462|3.660504|4.549134|7.914525|12.370614|10.037537|3.000076|3.987688|2.432894|2.224457|1.924807|1.809448|1.911521|2.210767|17.196426|0.083459|0.076956|0.066558|0.074373|0.070113|0.080548|0.094008|0.144647|0.213327|0.500000| |3.623156|3.640609|4.692093|4.466504|5.051839|4.022342|5.916402|3.966032|4.655366|10.910015|6.636725|7.599516|5.950129|9.290523|7.286193|12.377159|0.222740|17.680918|8.827246|5.522251|4.917052|5.567339|0.145440|4.121925|3.202024|4.033003|7.233342|10.127426|8.464862|3.142545|4.138432|2.491136|2.259602|1.946021|1.830601|1.942220|2.260821|17.768525|0.111979|0.102789|0.083961|0.092276|0.087644|0.101978|0.119128|0.147318|0.178946|0.301954|0.500000| |2.749194|2.611157|3.003194|2.884022|3.104436|2.760708|4.326905|2.824578|3.188950|6.489571|3.603895|3.872343|3.466895|6.068568|4.141791|7.575997|0.144762|8.987176|17.574945|8.790114|5.514315|4.833195|0.129726|3.518389|3.017933|3.091920|5.914340|8.236938|6.551332|2.456498|3.404941|2.138771|2.030962|1.772647|1.642044|1.694009|1.919957|14.346580|0.085425|0.078622|0.067282|0.068000|0.064885|0.071162|0.084171|0.096957|0.110910|0.214010|0.214088|0.500000| |3.285450|3.037789|3.427380|3.092056|3.164133|2.690613|4.249785|2.632474|2.920376|6.144087|3.662502|4.291100|4.103397|7.728344|4.611004|9.305496|0.208264|8.882167|17.514485|8.827037|6.782858|5.609476|0.132737|4.137003|3.406416|2.728045|5.239900|6.843157|5.940574|2.256974|3.048403|1.932065|1.817016|1.606337|1.510920|1.572071|1.771890|13.482707|0.107706|0.091199|0.079632|0.080038|0.073117|0.075378|0.106517|0.111042|0.113353|0.173185|0.215407|0.303772|0.500000| |2.241731|2.211020|2.513892|2.391009|2.588866|2.325661|3.650544|2.442272|2.837074|5.805031|3.081925|3.395876|2.974266|5.430154|4.115570|7.677262|0.135241|6.807292|8.865053|17.528466|8.850054|6.680997|0.199327|4.465428|4.083785|2.930096|5.618276|7.724319|6.665557|2.149921|2.929357|1.882809|1.787009|1.589524|1.493773|1.545512|1.728893|13.000846|0.068917|0.061961|0.056179|0.059751|0.055377|0.059169|0.075128|0.101014|0.116574|0.200125|0.139667|0.215221|0.173553|0.500000| |2.330167|2.223377|2.447248|2.276348|2.374826|2.118782|3.389519|2.155399|2.415762|4.894095|2.731506|3.065423|2.853064|5.402577|3.536170|6.630570|0.131795|5.525676|8.837302|17.585337|8.861883|5.466294|0.139634|4.052493|3.780979|2.409346|4.727568|6.142202|5.405656|1.913224|2.611666|1.696481|1.622421|1.454615|1.368895|1.410166|1.564429|11.708214|0.073136|0.064153|0.058933|0.060296|0.055310|0.056919|0.076504|0.089864|0.094249|0.139530|0.123587|0.208556|0.215089|0.303638|0.500000| |2.226292|2.214800|2.448652|2.239726|2.340075|2.060683|3.274780|2.101376|2.395705|4.972541|2.760393|3.219235|2.954882|5.817372|4.088584|7.589764|0.145130|4.924697|5.541022|8.877610|17.623179|8.950929|0.213914|6.896519|7.243719|2.412335|4.697420|5.927817|5.705446|1.846104|2.457292|1.604527|1.512960|1.368992|1.309781|1.365527|1.510989|11.540999|0.069325|0.059492|0.056656|0.061957|0.054941|0.055463|0.081264|0.111042|0.109718|0.130362|0.108255|0.123698|0.139336|0.216713|0.212462|0.500000| |2.714219|2.638404|2.891217|2.551887|2.593257|2.220588|3.533643|2.197835|2.467333|5.212615|3.042285|3.712063|3.567053|7.425590|4.579697|9.353400|0.209740|5.711361|6.787692|8.822760|17.495291|8.861931|0.173707|6.918538|5.838550|2.383609|4.622900|5.784897|5.514223|1.904796|2.523855|1.636126|1.535672|1.384492|1.324565|1.384978|1.539185|11.831876|0.087600|0.071545|0.068371|0.073900|0.063893|0.062614|0.103085|0.124202|0.112854|0.133174|0.127908|0.138798|0.197715|0.173451|0.215861|0.304226|0.500000| |2.840779|2.976411|3.298432|2.818372|2.836465|2.365130|3.737742|2.309462|2.606740|5.671275|3.396574|4.426101|4.301384|9.714941|5.994153|9.580311|0.213169|4.617053|4.186793|4.468969|6.634552|8.828649|0.173833|17.514540|8.836864|2.473045|4.768611|5.684166|5.968616|1.965779|2.524253|1.638962|1.509906|1.369798|1.333597|1.417314|1.577138|12.481039|0.089437|0.072052|0.071674|0.087668|0.071481|0.068028|0.130908|0.203666|0.139060|0.114500|0.111943|0.094101|0.117470|0.109604|0.107424|0.163837|0.200335|0.500000| |2.544574|2.764796|3.187808|2.844061|2.993523|2.524271|3.924568|2.536779|2.954211|6.531523|3.718020|4.707497|4.136286|8.292633|7.144903|9.249147|0.168660|4.551492|3.804783|4.045944|5.472778|8.829510|0.217852|17.612416|8.978386|2.868397|5.445205|6.475405|7.264034|2.141596|2.715693|1.757697|1.603598|1.452889|1.421675|1.522583|1.702152|13.643755|0.077145|0.065789|0.063970|0.080332|0.068012|0.068271|0.109991|0.263833|0.186042|0.123237|0.109860|0.088535|0.099948|0.107645|0.094757|0.142631|0.140442|0.303238|0.500000| |2.123400|2.160889|2.336299|2.103620|2.154789|1.891738|3.036552|1.902175|2.138725|4.422009|2.504112|2.958564|2.809293|5.739435|3.740523|6.045319|0.121960|3.571475|3.604383|4.463025|6.765659|6.501111|0.154999|8.700863|17.603278|2.130387|4.208131|5.012583|5.159841|1.675912|2.195101|1.450112|1.359574|1.244650|1.207429|1.267458|1.391620|10.754821|0.065480|0.055447|0.054950|0.062398|0.053780|0.052393|0.082022|0.112463|0.098820|0.094847|0.084825|0.084457|0.097332|0.115052|0.114300|0.235677|0.185225|0.213468|0.174130|0.500000| |2.076242|2.179678|2.366153|2.134912|2.191420|1.923022|3.083883|1.933317|2.176832|4.509453|2.551018|3.011403|2.846556|5.770674|3.838282|5.546674|0.110081|3.196580|3.016217|3.451336|4.701607|5.470181|0.139529|8.869106|17.590733|2.165802|4.287210|4.956706|5.376465|1.698146|2.193155|1.453305|1.351082|1.242036|1.216443|1.287281|1.412053|11.055839|0.062871|0.053800|0.053877|0.063907|0.054637|0.053124|0.082647|0.123133|0.102987|0.086755|0.078283|0.072268|0.081191|0.092186|0.086883|0.143529|0.126913|0.210034|0.223402|0.303137|0.500000| |1.996506|2.076393|2.302974|2.124697|2.238836|1.986981|3.156078|2.045740|2.350703|4.865776|2.652896|3.066532|2.773087|5.402410|4.031365|6.129961|0.113717|3.660720|3.477432|4.252780|5.883267|6.862608|0.197343|8.746725|17.550121|2.408100|4.719948|5.656546|6.022840|1.800141|2.347110|1.547877|1.444067|1.320045|1.283146|1.351989|1.488647|11.558379|0.060408|0.052713|0.051296|0.059394|0.052247|0.052721|0.075864|0.120213|0.114168|0.103462|0.086022|0.083170|0.089221|0.119494|0.103911|0.197904|0.139925|0.172666|0.208785|0.300963|0.302540|0.500000| |1.760378|1.806757|2.034628|2.322641|2.660321|3.185584|5.646821|3.739007|3.364314|4.955185|2.544854|2.178610|1.990127|3.141790|2.018649|2.641585|0.051062|2.187381|2.019070|1.812601|1.666874|1.755508|0.050892|1.583029|1.441715|3.418172|8.810881|7.787540|6.281618|4.825223|9.512854|8.904132|17.739097|8.884331|5.608547|4.896700|5.629992|28.842938|0.047982|0.052548|0.045027|0.046178|0.050302|0.064492|0.046416|0.050851|0.058959|0.064467|0.065420|0.060206|0.052987|0.052151|0.047380|0.043406|0.044059|0.042533|0.044872|0.038508|0.037907|0.040766|0.500000| |1.476569|1.520539|1.671399|1.878948|2.085387|2.444145|4.462144|2.744078|2.494725|3.798559|1.988671|1.746454|1.625931|2.609293|1.637144|2.135196|0.041634|1.715094|1.602450|1.473009|1.378811|1.447248|0.041808|1.334058|1.233318|2.551487|6.611151|5.637540|4.989388|3.434580|5.661975|5.670330|8.964461|17.729468|8.892764|5.632625|4.980070|24.409891|0.040035|0.043606|0.038401|0.039378|0.042802|0.052923|0.038999|0.042162|0.047589|0.050080|0.050463|0.047018|0.042509|0.042252|0.038886|0.036364|0.036690|0.035966|0.037934|0.033000|0.032782|0.034880|0.213884|0.500000| |1.416719|1.484562|1.623828|1.832294|2.020835|2.387534|4.441299|2.645437|2.372342|3.615523|1.907463|1.674683|1.568250|2.514560|1.565298|2.003437|0.039165|1.570482|1.450723|1.343875|1.282439|1.362062|0.039275|1.277440|1.182484|2.397045|6.271297|5.065220|4.825146|3.333307|4.969250|4.967866|5.638571|8.888215|17.727091|8.972856|5.687569|27.359656|0.038099|0.041431|0.037054|0.038736|0.042247|0.052081|0.037763|0.040838|0.045509|0.045672|0.046091|0.041814|0.038687|0.038372|0.035355|0.033936|0.034249|0.034510|0.036694|0.031465|0.031732|0.033370|0.123727|0.215543|0.500000| 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