Version2.4 2021-06-07T04:30:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 14-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)(C)c1ccc(cc1)c2nc(on2)C[NH+]3CCC[C@@H](C3)C(=O)NCCSCc4ccccc4F C38903136 RHF 6-31G(d) (6D,7F) CC(C)(C)c1ccc(cc1)c2nc(on2)C[NH+]3CCC[C@@H](C3)C(=O)NCCSCc4ccccc4F C01[X(C28H36F1N4O2S1)] 210 C1 616 O=C([C@H]1CCC[NH+](C1)Cc1onc(n1)c1ccc(cc1)C(C)(C)C)NCCSCc1ccccc1F O=C([C@H]1CCC[NH+](C1)Cc1onc(n1)c1ccc(cc1)C(C)(C)C)NCCSCc1ccccc1F CC(C)(C)c1ccc(cc1)c2noc(C[NH+]3CCC[C@@H](C3)C(=O)NCCSCc4ccccc4F)n2 InChIKey=SQEJOEBKSASUBN-NRFANRHFSA-O InChI=1S/C28H35FN4O2S/c1-28(2,3)23-12-10-20(11-13-23)26-31-25(35-32-26)18-33-15-6-8-21(17-33)27(34)30-14-16-36-19-22-7-4-5-9-24(22)29/h4-5,7,9-13,21H,6,8,14-19H2,1-3H3,(H,30,34)/p+1/t21-/m0/s1 InChI=1/C28H35FN4O2S/c1-28(2,3)23-12-10-20(11-13-23)26-31-25(35-32-26)18-33-15-6-8-21(17-33)27(34)30-14-16-36-19-22-7-4-5-9-24(22)29/h4-5,7,9-13,21H,6,8,14-19H2,1-3H3,(H,30,34)/p+1/t21-/m0/s1/fC28H36FN4O2S/h30,33H/q+1 CC(C)(C)c1ccc(cc1)c2nc(on2)C[NH+]3CCC[C@@H](C3)C(=O)NCCSCc4ccccc4F C01[X(C28H36F1N4O2S1)] 210 C01 616 O=C([C@H]1CCC[NH+](C1)Cc1onc(n1)c1ccc(cc1)C(C)(C)C)NCCSCc1ccccc1F O=[C]([NH]CCSC[C]1[CH][CH][CH][CH][C]1F)[C@H]1CCC[NH](C1)C[C]1[N][C]([N]O1)[C]1[CH][CH][C]([CH][CH]1)C(C)(C)C CC(C)(C)[C]1[CH][CH][C]([CH][CH]1)[C]2[N]O[C](C[NH]3CCC[C@@H](C3)C(=O)NCCSC[C]4[CH][CH][CH][CH][C]4F)[N]2 InChIKey=KQBXJQFDUBHELV-NRFANRHFSA-N InChI=1S/C28H36FN4O2S/c1-28(2,3)23-12-10-20(11-13-23)26-31-25(35-32-26)18-33-15-6-8-21(17-33)27(34)30-14-16-36-19-22-7-4-5-9-24(22)29/h4-5,7,9-13,21,33H,6,8,14-19H2,1-3H3,(H,30,34)/t21-/m0/s1 InChI=1/C28H36FN4O2S/c1-28(2,3)23-12-10-20(11-13-23)26-31-25(35-32-26)18-33-15-6-8-21(17-33)27(34)30-14-16-36-19-22-7-4-5-9-24(22)29/h4-5,7,9-13,21,33H,6,8,14-19H2,1-3H3,(H,30,34)/t21-/m0/s1/f/h30H 3660.8166413941 -1945.5391179 1-A 43206.7953 136 480 616 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.99827 -26.36108 -20.79425 -20.64192 -15.85909 -15.73949 -15.71137 -15.70106 -11.50158 -11.47139 -11.46954 -11.44957 -11.43914 -11.43377 -11.39466 -11.38737 -11.37632 -11.37439 -11.35986 -11.33833 -11.33155 -11.33054 -11.32738 -11.32552 -11.32445 -11.31479 -11.31220 -11.31050 -11.30193 -11.29465 -11.29246 -11.28594 -11.28314 -11.27893 -11.27717 -11.27683 -9.00870 -6.69158 -6.69016 -6.68794 -1.67812 -1.67600 -1.51380 -1.50481 -1.39819 -1.35119 -1.31803 -1.26035 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1161.94 1165.08 1192.06 1199.91 1212.84 1230.53 1234.33 1244.76 1260.69 1277.32 1310.75 1326.05 1340.16 1368.30 1380.12 1386.02 1411.82 1414.59 1425.99 1434.52 1459.11 1470.08 1479.26 1483.90 1515.97 1517.71 1538.34 1542.40 1552.76 1577.29 1594.75 1605.00 1608.82 1614.40 1629.16 1634.76 1640.20 1646.36 1659.48 1660.15 1668.10 1684.59 1716.71 1720.64 1725.56 1744.99 1752.75 1760.49 1787.84 1793.74 1832.78 1834.12 1855.75 1882.30 1905.88 1908.10 1931.63 1942.67 1945.36 1965.91 1970.89 1975.19 1997.67 2008.42 2033.33 2038.26 2057.51 2063.50 2077.15 2091.35 2104.06 2109.36 2120.75 2146.59 2157.26 2190.78 2208.49 2214.07 2232.94 2234.98 2240.03 2249.62 2267.05 2273.67 2286.05 2299.09 2336.43 2339.64 2346.34 2346.48 2350.34 2350.53 2350.87 2356.11 2360.00 2362.69 2368.54 2373.24 2377.17 2384.06 2385.50 2399.76 2409.99 2434.39 2477.19 2505.40 2547.94 2579.57 2613.25 2618.54 2652.73 2792.69 4611.79 4615.74 4616.01 4623.57 4627.21 4640.50 4651.09 4681.43 4698.02 4698.29 4703.49 4707.64 4709.93 4715.95 4718.73 4720.10 4721.99 4722.06 4727.87 4729.01 4749.65 4765.31 4789.27 4795.47 4803.99 4840.98 4847.40 4860.90 4873.58 4875.32 4882.59 4899.28 4899.42 4919.57 5238.00 5585.61 0.656488 0.689535 0.690480 0.582322 -1944.882630 -1944.849582 -1944.848638 -1944.956796 3.627637D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CC(C)(C)c1ccc(cc1)c2nc(on2)C[NH+]3CCC[C@@H](C3)C(=O)NCCSCc4ccccc4F C38903136 RHF 6-31G(d) (6D,10F) C1 511.254302 |X|Y|Z| 81.229733 37.651040 187.592103 83.093844 30 6 7 8 16 24 4 1 1 |36.858105| |12.357905|36.858105| |7.560928|12.357801|36.858105| |7.646843|12.401534|7.646930|36.858105| |7.584463|12.392938|7.585067|7.461678|36.858105| |6.229286|7.493016|6.229451|4.937702|13.603385|36.858105| |4.388816|4.982750|4.389590|3.826628|7.851365|13.845907|36.858105| |3.763029|4.378670|3.763776|3.693234|6.769944|7.936662|13.662064|36.858105| |4.007838|4.949249|4.008571|4.457050|7.866448|6.917228|7.959532|13.760933|36.858105| |5.275401|7.402089|5.276517|6.592401|13.703271|7.998023|6.896074|7.919868|13.742769|36.858105| |2.939743|3.274526|2.940970|2.893145|4.449936|5.086694|7.668153|12.985188|7.690579|5.078241|36.858105| |2.563394|2.847253|2.557286|2.642208|3.680204|3.877116|5.054250|7.575905|6.486781|4.406992|13.718777|53.358707| |2.248328|2.443136|2.246339|2.263914|3.041064|3.279434|4.202360|5.471719|4.593034|3.447410|9.228541|20.406172|36.858105| |2.259218|2.423698|2.262522|2.192414|3.008402|3.399207|4.492948|5.379940|4.176904|3.250753|9.029187|11.985978|14.730795|73.516695| |2.663508|2.880595|2.672201|2.520477|3.728124|4.462679|6.581489|7.842229|5.198728|3.942780|14.844835|11.655548|8.890212|24.427514|53.358707| |1.932625|2.081891|1.931498|1.975116|2.496266|2.620538|3.165781|3.884332|3.539464|2.815293|5.386745|10.533976|12.734531|14.049612|7.257398|36.858105| |1.919634|2.075323|1.900064|2.016974|2.466070|2.498841|2.924531|3.640760|3.569562|2.859615|4.645202|9.410642|7.846528|9.327403|5.715452|12.778285|53.358707| |2.074712|2.279618|2.072070|2.227486|2.747027|2.741047|3.212009|4.154015|4.215773|3.279677|5.244032|11.546898|7.992223|9.216303|6.010561|9.443728|25.609419|0.500000| |1.694743|1.831638|1.701996|1.804330|2.121622|2.128565|2.422219|2.902837|2.901812|2.427346|3.492186|6.316266|5.118446|6.986014|4.431108|7.651766|17.239565|0.257008|36.858105| |1.657676|1.791309|1.653354|1.801051|2.045116|2.005118|2.225814|2.649864|2.757613|2.362679|3.024935|5.281156|3.931082|5.575486|3.749492|4.980156|10.440734|0.198537|12.513241|36.858105| |1.660713|1.767110|1.610652|1.781887|2.006107|1.961678|2.162900|2.553506|2.665783|2.308834|2.873797|4.910197|3.614807|5.230140|3.566346|4.388085|8.848680|0.164387|7.542182|12.464801|36.858105| |1.872679|1.984168|1.776518|1.985383|2.292252|2.244663|2.505394|3.022045|3.159252|2.672562|3.436271|6.036026|4.306698|6.060146|4.162358|4.973146|10.358467|0.197992|6.464768|7.546888|12.386836|36.858105| |2.031382|2.177385|1.927078|2.203798|2.533162|2.431617|2.694755|3.317875|3.614200|3.034808|3.669290|6.499559|4.306859|6.011197|4.275600|4.622849|9.333467|0.209243|5.665046|6.775990|8.817941|17.515294|0.500000| |1.924392|2.037867|1.836617|1.988383|2.399763|2.420279|2.794288|3.413216|3.379991|2.765405|4.174430|7.759602|6.061489|8.029760|5.163908|7.686238|17.183889|0.258426|7.643874|6.515656|7.555356|12.474310|0.246485|36.858105| |1.808203|1.873958|1.669555|1.876624|2.129469|2.089531|2.297668|2.684543|2.783288|2.429848|2.968384|4.864132|3.504336|5.247870|3.683730|3.859601|6.792793|0.129732|4.420172|4.920953|7.566140|12.443195|0.244810|7.751050|36.858105| |1.711769|1.755528|1.576400|1.737381|1.987466|1.983217|2.191930|2.514499|2.533646|2.221817|2.817089|4.514659|3.390431|5.222563|3.607974|3.793096|6.243242|0.114024|4.098636|4.253220|6.011359|8.055590|0.165230|7.067474|15.843451|73.516695| |1.830785|1.887947|1.668165|1.922635|2.113568|2.036083|2.189673|2.529782|2.693124|2.416860|2.688205|4.265374|2.974655|4.551985|3.302993|3.138554|5.316151|0.107316|3.559505|4.096915|5.821643|7.811704|0.206463|5.258670|14.234667|15.061346|53.358707| |1.728513|1.751092|1.550967|1.783954|1.925401|1.860963|1.974656|2.220271|2.338641|2.152554|2.322558|3.548500|2.504764|3.964995|2.910102|2.606143|4.172094|0.083633|2.843069|3.166349|4.174190|4.981602|0.131987|3.924559|7.757099|12.022794|17.773266|36.858105| |1.522720|1.545549|1.388875|1.579049|1.680180|1.628525|1.720327|1.913297|2.003142|1.859527|2.006785|3.052836|2.192110|3.502577|2.550006|2.328044|3.695453|0.073189|2.640534|2.989291|3.919144|4.161415|0.107521|3.335366|5.825073|9.818585|10.451613|12.475144|36.858105| |1.426830|1.428127|1.287741|1.459022|1.529162|1.485364|1.550931|1.690436|1.758830|1.662979|1.749081|2.591638|1.864830|3.049466|2.248047|1.945561|2.977532|0.059286|2.120947|2.327584|2.856974|3.021827|0.080048|2.598004|3.886902|6.937425|6.371916|6.974833|10.493090|388.023441| |1.265903|1.273986|1.162992|1.302413|1.357363|1.322026|1.379586|1.497314|1.551583|1.469455|1.555957|2.306406|1.677232|2.753657|2.016086|1.774252|2.701192|0.053456|1.982539|2.188400|2.636850|2.636090|0.069218|2.291961|3.204558|5.776871|4.923659|4.563068|6.836065|74.156100|36.858105| |1.189422|1.189490|1.089998|1.216522|1.255852|1.224120|1.268640|1.362378|1.408258|1.346846|1.405023|2.055954|1.494557|2.481190|1.829902|1.565309|2.344278|0.046618|1.715190|1.866015|2.182965|2.194427|0.058368|1.955711|2.590023|4.684359|3.915911|3.522711|4.581557|49.428126|12.645335|36.858105| |1.139472|1.133987|1.042831|1.152116|1.196186|1.173950|1.218036|1.299381|1.331321|1.273289|1.343288|1.952393|1.429450|2.394457|1.764376|1.495256|2.209037|0.043706|1.611005|1.723576|1.993684|2.015184|0.053298|1.837611|2.364391|4.374608|3.476069|3.076756|3.781339|38.299165|7.519813|13.703902|36.858105| |1.076849|1.067839|0.985527|1.085625|1.118792|1.098079|1.133336|1.200508|1.228961|1.183491|1.234098|1.779245|1.301095|2.193884|1.625363|1.352037|1.979793|0.039341|1.442730|1.533736|1.744106|1.764138|0.047078|1.626410|2.028997|3.730408|2.966318|2.564898|3.007930|28.666690|5.002950|7.880481|13.762833|36.858105| |1.058536|1.050159|0.969787|1.073920|1.093996|1.068187|1.096301|1.159720|1.193981|1.157083|1.184232|1.703665|1.238381|2.086379|1.553743|1.280989|1.879139|0.037601|1.371401|1.465689|1.654527|1.669143|0.045025|1.531045|1.896320|3.427854|2.801643|2.397952|2.781043|25.954621|4.430202|6.818921|7.948750|13.743934|36.858105| |1.097257|1.092753|1.006468|1.124497|1.137866|1.104361|1.131416|1.202293|1.246939|1.210049|1.224174|1.768497|1.278015|2.139874|1.595740|1.322033|1.956851|0.039341|1.431421|1.547441|1.754399|1.763240|0.047868|1.594330|2.002500|3.562848|3.010374|2.585741|3.048559|28.644191|5.014100|7.854689|6.878958|7.933661|13.760775|36.858105| |1.163349|1.163441|1.067287|1.198129|1.219130|1.181405|1.215531|1.301412|1.353728|1.305901|1.330447|1.937987|1.399093|2.325162|1.726859|1.455106|2.177078|0.043693|1.594962|1.742162|2.008136|2.013273|0.054422|1.791835|2.322798|4.113457|3.546046|3.112714|3.862558|38.302984|7.577720|13.769312|8.045439|6.949444|8.020122|13.832550|36.858105| |1.199923|1.206256|1.104397|1.251573|1.262692|1.215052|1.246987|1.341295|1.407597|1.360844|1.365794|1.997716|1.431913|2.364515|1.759959|1.488087|2.247764|0.045431|1.652554|1.830501|2.112317|2.104081|0.057502|1.842387|2.406011|4.160564|3.747350|3.248449|4.045719|37.241956|6.812820|8.156258|5.313922|4.676119|5.312617|8.180523|14.294406|97.533100| |17.575644|8.685607|6.865416|5.509256|6.845883|6.811050|4.716161|3.805329|3.812621|4.705215|2.997676|3.482267|2.273466|4.142649|3.787552|1.940705|2.583199|0.056533|1.670425|1.616062|1.616634|1.822933|0.054367|1.899852|1.763017|2.996622|2.404867|1.671905|1.476203|9.856511|1.232423|1.159234|1.116128|1.055447|1.033940|1.066978|1.129558|2.608373|0.500000| |17.552537|8.734741|5.482549|6.909297|6.904847|5.652184|4.266728|3.806622|4.128713|5.351910|2.995960|3.599652|2.307209|4.081753|3.656624|1.987275|2.713007|0.059809|1.748543|1.720095|1.744063|1.988967|0.060169|2.030246|1.940682|3.256136|2.697309|1.878812|1.637713|10.927112|1.349449|1.266250|1.210923|1.142162|1.122276|1.164853|1.237660|2.873400|0.301740|0.500000| |17.555093|8.786080|6.904955|7.071393|5.506326|4.685765|3.537448|3.115318|3.321288|4.224094|2.524573|3.057928|1.997010|3.561928|3.153783|1.745281|2.368947|0.051980|1.556560|1.532030|1.535700|1.712862|0.051406|1.745492|1.662552|2.803341|2.304312|1.611884|1.432850|9.627300|1.207417|1.140959|1.093903|1.038494|1.024650|1.062175|1.121266|2.603348|0.302444|0.301364|0.500000| |6.904971|8.786113|17.554989|7.071571|5.506573|4.685826|3.537853|3.115748|3.321718|4.224692|2.525360|3.052252|1.995598|3.566075|3.161666|1.744440|2.348777|0.051926|1.562252|1.528572|1.495341|1.637417|0.049159|1.678355|1.551542|2.609533|2.123807|1.463335|1.318320|8.760219|1.116069|1.051277|1.006532|0.954886|0.942561|0.978197|1.033475|2.406724|0.170132|0.140794|0.207224|0.500000| |5.482694|8.735090|17.553565|6.909492|6.905999|5.652665|4.268102|3.808063|4.130208|5.354099|2.998259|3.584093|2.303563|4.092421|3.677617|1.985201|2.662514|0.059669|1.762306|1.711849|1.648370|1.804246|0.054543|1.863528|1.675262|2.800427|2.270615|1.538766|1.383592|9.064413|1.156965|1.081422|1.032346|0.974253|0.959088|0.997132|1.059177|2.472254|0.140066|0.122372|0.140796|0.301359|0.500000| |6.865656|8.685833|17.575634|5.509353|6.846495|6.811434|4.717210|3.806157|3.813302|4.706084|2.999032|3.473789|2.271362|4.149291|3.801450|1.939539|2.556753|0.056462|1.677567|1.611949|1.569121|1.731594|0.051695|1.813062|1.630601|2.760368|2.199258|1.505828|1.350320|8.920643|1.134528|1.064360|1.022624|0.966937|0.948736|0.980889|1.038845|2.408223|0.204351|0.140066|0.170137|0.302436|0.301746|0.500000| |6.941228|8.708017|5.506347|17.552713|6.720884|4.573202|3.701073|3.696921|4.586481|6.688871|2.922457|3.694146|2.309981|3.930403|3.429191|2.023770|2.851184|0.064358|1.864498|1.878751|1.882596|2.119761|0.065931|2.097223|2.020253|3.300897|2.852446|1.947107|1.706276|11.202114|1.392852|1.298285|1.224930|1.151703|1.140213|1.197571|1.279669|3.015896|0.140487|0.206284|0.174523|0.143017|0.140449|0.122213|0.500000| |5.506367|8.707952|6.941683|17.553885|6.720656|4.573052|3.701220|3.697177|4.586822|6.689582|2.923142|3.687037|2.308367|3.934088|3.436033|2.022780|2.826800|0.064283|1.871165|1.874272|1.831312|2.021406|0.062686|2.016800|1.883051|3.081594|2.617725|1.766611|1.572496|10.251486|1.295217|1.205995|1.138940|1.071601|1.060824|1.113339|1.188579|2.803252|0.122212|0.140444|0.143020|0.174543|0.206299|0.140492|0.300454|0.500000| |7.049262|8.841188|7.048681|17.571239|5.469750|4.073593|3.232070|3.078224|3.559343|4.803084|2.496650|3.128329|2.008108|3.481404|3.027471|1.775880|2.463662|0.054954|1.638180|1.639969|1.626531|1.793927|0.054800|1.790359|1.711455|2.833903|2.395240|1.651937|1.475573|9.797137|1.236033|1.162134|1.102849|1.044308|1.036367|1.084223|1.149421|2.699486|0.143264|0.171580|0.215944|0.215927|0.171561|0.143258|0.302695|0.302699|0.500000| |6.557087|6.977098|6.555164|4.505274|8.868650|17.750285|9.040464|5.667084|4.977833|5.665400|4.150073|4.436769|2.869087|5.395441|5.292903|2.344729|3.022813|0.066602|1.920328|1.809830|1.775527|2.009152|0.059726|2.162066|1.893422|3.227438|2.516192|1.712041|1.511012|9.908565|1.245774|1.160871|1.118381|1.050852|1.022854|1.053976|1.121996|2.587609|0.228860|0.154476|0.139217|0.139192|0.154427|0.228759|0.113582|0.113571|0.108948|0.500000| |3.798885|4.080809|3.799302|3.208936|5.612756|8.961011|17.738215|8.886442|5.653956|4.965645|7.064880|6.352540|4.169072|8.515896|9.993527|3.143348|3.826252|0.083701|2.340787|2.120102|2.059625|2.366618|0.069290|2.684753|2.187693|3.772696|2.808966|1.876584|1.647098|10.617664|1.334510|1.230496|1.188307|1.107317|1.067815|1.096815|1.175383|2.698853|0.117352|0.102180|0.087709|0.087715|0.102201|0.117370|0.086160|0.086161|0.077868|0.218815|0.500000| |3.377953|4.050963|3.379342|3.921673|5.626305|4.976661|5.650442|8.920569|17.738451|8.943444|7.081486|9.977442|4.924249|7.408458|6.530237|3.897589|5.640437|0.142817|3.322105|3.205429|3.074335|3.691008|0.121913|3.871866|3.136152|4.949217|4.121562|2.556255|2.177610|13.341526|1.653388|1.487100|1.396315|1.281925|1.245347|1.306693|1.427781|3.358665|0.088538|0.097900|0.080412|0.080437|0.097977|0.088572|0.114858|0.114897|0.089100|0.107974|0.124092|0.500000| |4.895562|6.814963|4.898023|7.615516|8.889046|5.659639|4.969270|5.668189|9.013246|17.778076|4.150589|5.263841|3.082494|5.076081|4.508865|2.612281|3.712260|0.087131|2.361989|2.356522|2.311242|2.648681|0.084738|2.654815|2.413897|3.876133|3.332569|2.181301|1.889276|12.011723|1.493212|1.368937|1.286637|1.196639|1.175744|1.236159|1.335263|3.151800|0.116064|0.140577|0.114392|0.114434|0.140710|0.116109|0.231417|0.231609|0.148438|0.123956|0.107828|0.218872|0.500000| |1.827206|1.935480|1.797770|1.831398|2.290433|2.423905|2.901177|3.428101|3.099698|2.531867|4.593576|8.012945|8.890957|12.692796|6.554796|17.637340|12.273017|0.183645|6.450460|4.436823|4.169616|4.713491|0.116225|7.441613|3.896776|7.185114|4.232456|2.632285|2.365329|14.133526|1.814761|1.600648|1.540609|1.389825|1.307656|1.341511|1.476023|3.368718|0.051274|0.052373|0.046021|0.045401|0.050862|0.050409|0.052240|0.051611|0.046101|0.061131|0.081536|0.092578|0.065386|0.500000| |1.825606|1.980328|1.868081|1.882761|2.349597|2.465255|2.942951|3.528610|3.235284|2.624813|4.712796|8.472998|9.000785|12.090385|6.510278|17.612484|12.296478|0.209695|7.528651|4.775146|3.953270|4.148241|0.108958|5.639434|3.278609|5.718980|3.735457|2.315657|2.112666|12.690684|1.653008|1.467479|1.403718|1.275603|1.212372|1.250752|1.370848|3.157670|0.050957|0.051610|0.046089|0.046981|0.053806|0.052189|0.053057|0.053991|0.047265|0.061803|0.081688|0.098023|0.068032|0.301422|0.500000| |1.585855|1.694164|1.581256|1.660626|1.945579|1.971467|2.238789|2.622790|2.575548|2.186025|3.151062|5.453933|4.609432|6.634952|4.141953|7.047478|12.410127|0.181161|17.605015|8.771162|6.769844|5.719610|0.132025|7.005455|4.287490|7.504910|4.618419|2.782693|2.632111|15.126036|2.009836|1.737441|1.644414|1.469021|1.386739|1.438555|1.602010|3.702306|0.043672|0.045457|0.040604|0.040502|0.045217|0.043544|0.047607|0.047492|0.042171|0.049939|0.060973|0.079891|0.058862|0.190876|0.194234|0.500000| |1.678046|1.830828|1.721717|1.799872|2.119746|2.131787|2.426508|2.896190|2.882373|2.416498|3.479434|6.180299|5.018072|6.987898|4.447288|7.174104|12.369866|0.222915|17.624667|8.787531|5.486634|4.863601|0.127355|5.594518|3.566790|5.928416|4.095499|2.469890|2.310451|13.512945|1.790769|1.569247|1.478986|1.335932|1.276135|1.330548|1.471283|3.432321|0.046002|0.047650|0.042877|0.043829|0.049947|0.047200|0.051151|0.052263|0.045421|0.053497|0.065279|0.091042|0.065183|0.160061|0.233387|0.300680|0.500000| |1.522804|1.641283|1.530077|1.655145|1.849281|1.814687|1.994551|2.327555|2.411483|2.107709|2.620407|4.404313|3.318292|4.889700|3.309298|4.139070|7.610929|0.144907|8.978308|17.580136|8.808550|5.491396|0.138847|4.891040|4.084570|6.524691|4.804702|2.849217|2.790101|15.700971|2.131725|1.825371|1.687343|1.505381|1.441047|1.521423|1.709010|4.042766|0.041282|0.043690|0.039370|0.039535|0.044075|0.041475|0.047716|0.047917|0.042205|0.045925|0.053121|0.076412|0.058630|0.105673|0.115477|0.214017|0.212398|0.500000| |1.750638|1.915882|1.763379|1.945663|2.193086|2.118663|2.336667|2.816676|3.014475|2.578617|3.152432|5.529076|3.905141|5.505863|3.804983|4.620285|9.361973|0.208926|8.884665|17.520766|8.806913|6.734924|0.197309|5.675553|4.471868|6.684373|5.375902|3.049211|2.835619|15.891440|2.084962|1.793157|1.649222|1.476961|1.423028|1.509776|1.694013|4.038009|0.047059|0.050387|0.044896|0.045178|0.051070|0.047389|0.056431|0.056814|0.048944|0.052708|0.060958|0.099753|0.072310|0.110289|0.124196|0.173153|0.215782|0.303967|0.500000| |1.550236|1.633975|1.498609|1.636859|1.842787|1.821498|2.008723|2.330624|2.385229|2.084425|2.636381|4.397201|3.352526|4.984737|3.358238|4.155653|7.721009|0.135562|6.760813|8.831264|17.547524|8.856184|0.173793|6.792152|7.142905|11.609413|7.228041|4.079338|4.009032|20.835741|2.762269|2.268599|2.088566|1.813873|1.702874|1.792466|2.055717|4.804549|0.042179|0.045156|0.039954|0.038786|0.042437|0.040793|0.047853|0.046466|0.041777|0.046223|0.053803|0.074668|0.057558|0.115694|0.104901|0.197820|0.138604|0.214740|0.173173|0.500000| |1.619574|1.721854|1.567369|1.759468|1.930066|1.863782|2.021743|2.362819|2.511886|2.222053|2.583252|4.287952|3.079157|4.563104|3.192264|3.557796|6.648582|0.131849|5.507669|8.854560|17.585779|8.803533|0.214955|5.505152|6.788293|9.332255|8.302620|4.394763|4.279650|21.646821|2.837994|2.322290|2.083025|1.816157|1.735962|1.863431|2.153359|5.182839|0.043510|0.047340|0.041849|0.040659|0.044559|0.042159|0.051882|0.050320|0.044808|0.046997|0.053180|0.080348|0.062756|0.093927|0.091037|0.138868|0.123311|0.210454|0.215260|0.303304|0.500000| |2.111772|2.222532|1.977455|2.141794|2.660345|2.709566|3.182397|3.948731|3.832818|3.070859|4.923841|9.140434|6.864863|9.103831|5.981223|7.247645|12.361759|0.224507|5.600652|4.891746|5.489928|8.779247|0.214854|17.655852|6.944646|11.558896|6.904340|3.908072|3.199014|18.193185|2.210763|1.907881|1.802464|1.603728|1.510843|1.568465|1.753095|4.040642|0.058134|0.062374|0.052668|0.049883|0.055293|0.054405|0.063057|0.059756|0.053204|0.066671|0.084700|0.120545|0.080474|0.196859|0.144107|0.144016|0.126612|0.107754|0.127471|0.139159|0.123095|0.500000| |1.768588|1.852585|1.686475|1.800565|2.151972|2.194135|2.518896|2.976522|2.890274|2.422148|3.616085|6.287185|5.237673|7.475946|4.706646|7.026140|12.351029|0.181428|7.007055|5.774426|6.828796|8.836258|0.173848|17.661441|7.164705|13.936288|6.522027|3.788275|3.333426|18.617776|2.341645|1.994013|1.892024|1.667702|1.555500|1.607562|1.806142|4.133556|0.048832|0.051666|0.044843|0.043066|0.047376|0.046532|0.052487|0.050514|0.045467|0.055262|0.068516|0.089155|0.064518|0.223176|0.149308|0.211815|0.143656|0.129465|0.132543|0.200458|0.139611|0.300968|0.500000| |1.893430|1.972415|1.735346|2.036865|2.204130|2.089623|2.228221|2.594816|2.834883|2.559100|2.711709|4.317769|2.935858|4.458351|3.275689|3.057542|5.247268|0.110013|3.546511|4.228515|5.805297|7.465660|0.231106|4.886502|9.430859|10.858924|26.073253|9.000872|6.305058|29.568496|3.325988|2.697428|2.374678|2.054570|1.971448|2.140269|2.507439|6.089367|0.050296|0.056944|0.048677|0.045091|0.048418|0.046320|0.062039|0.056982|0.051608|0.052400|0.057666|0.090094|0.073208|0.082006|0.075135|0.091175|0.084486|0.100711|0.118526|0.137465|0.180356|0.130686|0.118850|0.500000| |1.801290|1.815719|1.595479|1.869232|1.977999|1.889279|1.977696|2.210582|2.362212|2.212180|2.261787|3.401878|2.359431|3.761729|2.812148|2.399943|3.794043|0.077752|2.573692|2.859214|3.604025|4.263402|0.120045|3.441726|5.833857|8.964084|12.592511|17.606487|8.826753|47.050437|4.251941|3.436288|2.974441|2.528676|2.412015|2.633844|3.147987|7.533854|0.048034|0.054815|0.046802|0.041970|0.043808|0.042790|0.057254|0.051180|0.048179|0.048297|0.051825|0.071420|0.062952|0.066530|0.059668|0.069076|0.063253|0.071809|0.078517|0.095445|0.106703|0.097333|0.090399|0.229478|0.500000| |1.740245|1.746023|1.546678|1.756279|1.926406|1.885526|2.012970|2.246381|2.323141|2.129960|2.367487|3.578571|2.558349|4.100610|3.002922|2.646449|4.130796|0.081647|2.761407|2.960780|3.811502|4.656163|0.120171|3.954606|7.314086|13.273795|12.544197|17.647486|8.841370|45.985835|4.243952|3.387619|3.079763|2.573261|2.363838|2.489014|2.940550|6.670917|0.047127|0.052649|0.044950|0.040479|0.042406|0.041988|0.053085|0.047977|0.045200|0.048375|0.053584|0.069572|0.059175|0.075642|0.064750|0.076205|0.066707|0.073968|0.078340|0.106215|0.106312|0.112659|0.108888|0.182218|0.302434|0.500000| |1.463251|1.488710|1.346909|1.508935|1.626169|1.590872|1.694843|1.886054|1.950410|1.793974|2.008330|3.076041|2.248991|3.592678|2.577480|2.438658|3.870574|0.075008|2.807919|3.158387|4.222817|4.336217|0.106687|3.528730|6.144887|11.293656|9.400606|8.875140|17.585465|56.147663|6.509846|4.352810|3.743213|2.952094|2.671421|2.860219|3.563299|8.134884|0.039633|0.043462|0.038193|0.035442|0.037356|0.036546|0.044950|0.041841|0.039150|0.041063|0.045391|0.058836|0.050223|0.069778|0.061487|0.079440|0.067509|0.082563|0.080910|0.126749|0.125027|0.091886|0.101428|0.153047|0.173771|0.214895|0.500000| |1.499076|1.532984|1.380736|1.580925|1.659784|1.595632|1.677154|1.870666|1.980629|1.847351|1.950367|2.978657|2.122463|3.372778|2.462260|2.258515|3.626003|0.072675|2.643658|3.086406|4.030237|4.078571|0.108191|3.182252|5.265936|8.349522|9.589570|8.845474|17.562930|56.305981|6.446145|4.396219|3.515186|2.854170|2.713411|3.054063|3.904547|9.774143|0.040165|0.044639|0.039303|0.036470|0.038383|0.037118|0.047449|0.044011|0.041077|0.041059|0.044389|0.060242|0.052628|0.062853|0.057524|0.072303|0.064652|0.080938|0.082394|0.111782|0.129193|0.083577|0.086815|0.181769|0.209988|0.173652|0.300713|0.500000| |1.237669|1.247452|1.142881|1.267440|1.335145|1.308822|1.374255|1.492513|1.534434|1.443377|1.565701|2.328857|1.711708|2.813352|2.041844|1.830539|2.778545|0.054356|2.054246|2.251829|2.724213|2.690198|0.069255|2.365585|3.278151|6.097871|4.830705|4.336152|6.385209|56.344539|17.605887|8.916294|7.093647|4.709834|3.975405|4.212856|5.687762|11.373285|0.033611|0.036533|0.032723|0.030401|0.031621|0.031077|0.037488|0.035055|0.033363|0.034278|0.037098|0.045401|0.040509|0.052472|0.047402|0.058611|0.051318|0.061259|0.058740|0.081240|0.080350|0.062839|0.068322|0.088979|0.107467|0.115735|0.194837|0.160435|0.500000| |1.261285|1.277188|1.167237|1.313405|1.359423|1.317079|1.372027|1.495051|1.560163|1.479098|1.550537|2.309965|1.672291|2.729193|1.998568|1.774497|2.728210|0.054282|2.025970|2.277404|2.744174|2.682532|0.071016|2.291121|3.192208|5.584908|4.966709|4.411379|6.662074|56.440002|17.630541|8.908831|5.650093|4.210986|3.987896|4.744676|7.170677|17.486106|0.033989|0.037271|0.033451|0.031127|0.032371|0.031529|0.039014|0.036454|0.034616|0.034396|0.036731|0.046442|0.041980|0.049989|0.046141|0.056668|0.050924|0.062090|0.060582|0.079144|0.084038|0.060806|0.064411|0.095803|0.115669|0.108873|0.171903|0.202239|0.301280|0.500000| |1.148409|1.142607|1.051282|1.154426|1.211011|1.194804|1.246175|1.330203|1.354487|1.288165|1.384372|2.015103|1.485442|2.492367|1.826702|1.561209|2.298378|0.045138|1.673838|1.777001|2.064530|2.092170|0.054705|1.925024|2.477067|4.683926|3.575093|3.161778|3.870252|37.817670|6.978914|8.940814|17.709123|8.929457|5.651755|4.954448|5.695089|9.612296|0.031354|0.033883|0.030536|0.028116|0.028903|0.028719|0.034037|0.031686|0.030626|0.031616|0.033888|0.039435|0.035979|0.045023|0.040610|0.047831|0.042516|0.048254|0.046847|0.060776|0.059272|0.052405|0.055662|0.066803|0.082855|0.090059|0.110614|0.096897|0.212209|0.143107|0.500000| |1.041568|1.030246|0.953457|1.043119|1.078752|1.063270|1.098070|1.158300|1.179565|1.135957|1.192286|1.711847|1.256945|2.131280|1.578490|1.304907|1.895410|0.037575|1.379311|1.453103|1.640811|1.662977|0.044279|1.552041|1.901614|3.527577|2.741848|2.342287|2.684755|24.631566|4.082246|5.624937|8.925041|17.731909|8.906341|5.643622|4.992725|8.325690|0.028449|0.030635|0.027918|0.025674|0.026153|0.026056|0.030655|0.028564|0.027908|0.028349|0.029911|0.034044|0.031795|0.037400|0.034250|0.039157|0.035572|0.039641|0.038801|0.047544|0.047051|0.042625|0.044405|0.052634|0.063844|0.066210|0.074241|0.070255|0.111709|0.096946|0.215559|0.500000| 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