Version2.1 2021-01-08T11:03:05Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H]1CN(C[C@H](O1)C)c2ccc(c[nH+]2)CNC(=O)CCCc3nc(no3)c4ccc(cc4)Cl C46791501 RHF 6-31G(d) (6D,7F) C[C@@H]1CN(C[C@H](O1)C)c2ccc(c[nH+]2)CNC(=O)CCCc3nc(no3)c4ccc(cc4)Cl C01[X(C24H29Cl1N5O3)] 180 C1 557 O=C(NCc1ccc([nH+]c1)N1C[C@@H](C)O[C@@H](C1)C)CCCc1onc(n1)c1ccc(cc1)Cl O=C(NCc1ccc([nH+]c1)N1C[C@@H](C)O[C@@H](C1)C)CCCc1onc(n1)c1ccc(cc1)Cl C[C@@H]1CN(C[C@@H](C)O1)c2ccc(CNC(=O)CCCc3onc(n3)c4ccc(Cl)cc4)c[nH+]2 InChIKey=KDAAMQRMSZHWMQ-IAGOWNOFSA-O InChI=1S/C24H28ClN5O3/c1-16-14-30(15-17(2)32-16)21-11-6-18(12-26-21)13-27-22(31)4-3-5-23-28-24(29-33-23)19-7-9-20(25)10-8-19/h6-12,16-17H,3-5,13-15H2,1-2H3,(H,27,31)/p+1/t16-,17-/m1/s1 InChI=1/C24H28ClN5O3/c1-16-14-30(15-17(2)32-16)21-11-6-18(12-26-21)13-27-22(31)4-3-5-23-28-24(29-33-23)19-7-9-20(25)10-8-19/h6-12,16-17H,3-5,13-15H2,1-2H3,(H,27,31)/p+1/t16-,17-/m1/s1/fC24H29ClN5O3/h26-27H/q+1 C[C@@H]1CN(C[C@H](O1)C)c2ccc(c[nH+]2)CNC(=O)CCCc3nc(no3)c4ccc(cc4)Cl C01[X(C24H29Cl1N5O3)] 180 C01 557 O=C(NCc1ccc([nH+]c1)N1C[C@@H](C)O[C@@H](C1)C)CCCc1onc(n1)c1ccc(cc1)Cl O=C(NC[C]1=CN[C]([CH][CH]1)[N@@]1C[C@@H](C)O[C@@H](C1)C)CCCC1=[N][C]([N]O1)[C]1[CH][CH][C]([CH][CH]1)Cl C[C@@H]1CN(C[C@@H](C)O1)[C]2[CH][CH]C(=CN2)CNC(=O)CCCC3=N[C]([N]O3)[C]4[CH][CH][C](Cl)[CH][CH]4 InChIKey=UWPQBOMKLSSRGI-IAGOWNOFSA-N InChI=1S/C24H29ClN5O3/c1-16-14-30(15-17(2)32-16)21-11-6-18(12-26-21)13-27-22(31)4-3-5-23-28-24(29-33-23)19-7-9-20(25)10-8-19/h6-12,16-17,26H,3-5,13-15H2,1-2H3,(H,27,31)/t16-,17-/m1/s1 InChI=1/C24H29ClN5O3/c1-16-14-30(15-17(2)32-16)21-11-6-18(12-26-21)13-27-22(31)4-3-5-23-28-24(29-33-23)19-7-9-20(25)10-8-19/h6-12,16-17,26H,3-5,13-15H2,1-2H3,(H,27,31)/t16-,17-/m1/s1/f/h27H 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3.8039 5.0638 2.9089 3.3370 2.7830 2.9291 7.0144 5.9377 2.3954 4.2538 1.7002 3.5458 3.2828 3.1960 2.5690 2.0791 4.6195 3.7272 3.6210 3.5436 4.4886 1.6452 1.6870 1.9699 1.2489 2.8330 1.6836 2.3461 1.6245 1.9698 1.5156 2.0154 9.3807 8.2500 2.1652 3.0550 1.3701 3.0829 1.3602 3.5371 3.9057 2.5585 6.0586 1.7602 2.7273 1.4681 2.6162 2.1050 3.2734 2.4165 1.9841 3.3312 2.3091 2.1015 1.4336 2.1219 3.5874 2.5472 1.1581 2.2585 2.3055 2.1061 1.3866 1.4426 1.5664 1.2817 1.3169 1.3701 1.4524 2.3853 1.1845 2.0538 1.2596 1.4450 1.5955 1.5024 1.2805 1.2641 2.9471 1.4326 1.3059 1.3737 2.9877 1.3270 1.7173 1.5149 2.1139 1.7810 1.0959 1.0972 1.0756 1.1049 1.0980 1.0613 1.0518 1.0976 1.0638 1.1223 2.5601 1.8972 4.4819 7.7241 7.8145 2.5088 5.5915 10.2173 5.5117 9.0731 1.0624 1.0644 1.0478 1.0448 1.0719 1.0698 1.0678 1.0743 1.0974 1.0622 1.0951 1.1023 1.0997 1.0962 1.1015 1.1028 1.1073 1.0992 1.1030 1.0941 1.0905 1.0909 1.0966 1.0962 1.0945 1.0966 1.0936 1.0788 1.0797 0.0000 0.0002 0.0004 0.0013 0.0021 0.0028 0.0089 0.0108 0.0100 0.0268 0.0128 0.0172 0.0271 0.0369 0.0369 0.0693 0.0624 0.0453 0.1384 0.1380 0.0950 0.0410 0.0631 0.0976 0.2238 0.2969 0.2852 0.2184 0.2672 0.3191 0.2376 0.2014 0.3489 0.3735 0.3149 0.3026 0.2090 0.2543 0.3991 0.4731 0.6078 0.5495 0.8371 0.6826 0.9266 0.5484 0.6428 0.6417 0.7935 1.9830 1.7211 0.7303 1.3601 0.5897 1.2541 1.2099 1.2269 0.9961 0.8115 1.9190 1.6010 1.5911 1.5867 2.0364 0.8466 0.8876 1.0432 0.6650 1.5313 0.9157 1.3616 0.9650 1.2072 0.9500 1.3611 6.3407 5.6740 1.5048 2.1725 0.9842 2.2518 0.9958 2.5967 2.8979 1.9467 4.7356 1.3987 2.2261 1.2089 2.1831 1.7830 2.8030 2.0946 1.7579 2.9631 2.1154 1.9716 1.3659 2.0394 3.4930 2.5270 1.1629 2.2906 2.3961 2.2404 1.5204 1.6634 1.8175 1.4970 1.5525 1.6325 1.7896 2.9599 1.4842 2.6154 1.6318 1.9363 2.1579 2.0477 1.7547 1.7403 4.1293 2.0194 1.8611 1.9852 4.3475 1.9313 2.5095 2.2236 3.1584 2.7283 1.6807 1.7056 1.6766 1.7235 1.7249 1.6761 1.6715 1.7570 1.7035 1.8094 4.2257 3.2175 7.8567 13.9345 14.4169 4.8487 10.8148 20.3804 11.3159 20.2006 6.4267 6.4685 6.3876 6.3851 6.5569 6.5632 6.5739 6.6308 6.8053 6.6426 6.9038 7.0115 6.9997 6.9817 7.0642 7.0914 7.1479 7.1019 7.1312 7.3135 7.4094 7.4238 7.5196 7.5316 7.5331 7.5743 7.7211 9.5600 9.6072 1.2399 0.2275 0.4333 0.8067 0.5308 0.0407 1.7397 5.4005 1.1744 0.5059 4.6587 0.2094 11.2874 0.5839 0.9908 1.7148 6.9321 4.0693 0.6451 0.5710 2.3583 0.3978 2.4120 5.0394 0.8296 3.9472 4.5152 19.0726 2.4138 5.8414 2.2439 16.4194 9.1145 3.4063 0.3169 6.3831 72.3485 36.3980 1.4107 2.5579 0.7840 2.7621 2.7589 3.1405 29.9319 36.6762 6.3122 35.7495 6.4504 0.6587 4.4518 36.5985 12.9388 32.3955 4.0984 12.4676 3.7514 5.1729 0.8731 28.4532 42.5788 9.1779 13.3597 38.0630 38.0164 6.0249 2.7468 0.1248 4.6865 32.2733 21.3513 3.8886 0.3012 4.9392 1.7683 18.5376 71.8811 1.4398 9.4037 0.0775 20.8308 0.0049 15.1490 12.7403 14.3489 2.6590 23.7854 1.0383 7.5068 13.3978 19.2016 49.3684 64.7647 25.8049 42.3549 55.3191 48.8923 12.3079 90.6737 10.6663 65.5196 9.2552 18.9485 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C[C@@H]1CN(C[C@H](O1)C)c2ccc(c[nH+]2)CNC(=O)CCCc3nc(no3)c4ccc(cc4)Cl C46791501 RHF 6-31G(d) (6D,10F) C1 470.195893 |X|Y|Z| 75.253398 31.548931 179.664751 75.276234 29 6 7 8 22 5 2 |36.858105| |12.549805|36.858105| |8.899024|17.542876|0.500000| |7.561799|12.435166|0.248255|36.858105| |5.007053|7.738626|0.192674|12.969548|53.358707| |4.531312|6.705112|0.162551|7.783942|17.578912|36.858105| |5.193847|8.016298|0.198874|6.639428|10.498331|12.488211|36.858105| |4.404517|5.868834|0.145695|5.046079|7.696291|9.013700|17.610110|0.500000| |8.094023|13.632601|0.259034|7.909978|9.291441|7.990204|13.561269|0.267355|73.516695| |4.368177|6.295585|0.195025|5.173635|8.270799|7.457052|12.486094|0.248166|13.825039|36.858105| |3.862806|5.207952|0.141020|7.726194|19.430780|7.743236|5.221068|0.117528|8.231164|4.721707|36.858105| |3.080916|3.973325|0.111252|5.022092|10.632868|6.396918|4.549888|0.108035|6.757235|4.433259|13.399196|36.858105| |2.608956|3.186470|0.090028|3.912670|7.098538|4.411227|3.439806|0.084694|5.356583|3.429969|7.904262|14.046912|36.858105| |2.544275|3.004228|0.084541|3.756284|6.222837|3.695194|2.980050|0.073538|4.882888|2.931190|6.720456|7.813996|13.329730|36.858105| |2.925676|3.442881|0.095667|4.561109|7.192851|3.938900|3.163346|0.076711|5.370757|3.029403|7.927766|6.956933|8.106284|14.190943|36.858105| |3.660870|4.537640|0.123179|6.769663|11.177016|5.216508|3.987190|0.093254|6.825457|3.674345|14.176613|8.142586|7.091724|8.047262|13.897210|53.358707| |4.111743|4.918765|0.129586|7.801926|10.331429|4.872708|3.885875|0.091027|7.053041|3.497220|9.422447|5.857646|5.176509|5.886386|9.419211|26.043991|0.500000| |2.135509|2.437203|0.068853|2.911232|4.562532|2.865693|2.415946|0.061004|4.009316|2.407714|4.377860|4.979037|7.401935|12.557050|7.600994|6.870870|0.116866|36.858105| |1.933357|2.181773|0.060684|2.578171|4.024894|2.637791|2.219996|0.057187|3.671057|2.180478|3.713177|4.267418|5.949233|7.658476|5.460452|5.556143|0.097713|13.156509|53.358707| |1.801331|2.039336|0.056857|2.357851|3.726885|2.535355|2.150978|0.056116|3.501299|2.133313|3.350313|4.029702|5.490889|5.791673|4.243095|4.704432|0.083187|7.777811|19.081705|36.858105| |1.832288|2.100144|0.059169|2.399132|3.865421|2.660394|2.267857|0.059082|3.631073|2.293221|3.476013|4.407036|6.146648|5.723302|4.094701|4.686125|0.081810|6.923224|11.618139|15.840283|73.516695| |1.613613|1.797471|0.049701|2.050592|3.171350|2.207961|1.899773|0.050334|3.118340|1.867289|2.741346|3.167453|3.930232|4.079482|3.305809|3.831653|0.069988|5.018788|10.630666|12.570047|14.157092|36.858105| |1.546222|1.725998|0.047616|1.941406|3.022872|2.170119|1.877811|0.050429|3.047765|1.847493|2.554940|2.991008|3.550534|3.424925|2.839348|3.444887|0.063201|3.844585|6.991414|7.536749|11.905836|12.466071|36.858105| |1.392500|1.532477|0.042132|1.704962|2.600692|1.881074|1.653965|0.044808|2.714691|1.621021|2.146943|2.431040|2.777175|2.730724|2.363529|2.913974|0.054572|3.032355|5.254595|4.901941|7.819587|7.526800|12.414540|36.858105| |1.329980|1.462082|0.040150|1.606935|2.450220|1.807322|1.604461|0.043942|2.620936|1.574285|1.986853|2.247602|2.492445|2.385686|2.096065|2.648647|0.049856|2.554499|4.196835|3.784015|6.471971|4.935558|7.598014|12.761521|36.858105| |1.294957|1.416045|0.038652|1.550734|2.349075|1.750206|1.558834|0.043032|2.554592|1.516170|1.879731|2.096607|2.273249|2.173894|1.947818|2.497781|0.047418|2.278048|3.672594|3.171358|5.415523|3.942944|5.407243|7.643966|14.923042|53.358707| |1.239792|1.355394|0.037111|1.467383|2.221431|1.672618|1.507508|0.041874|2.461578|1.476862|1.758940|1.964462|2.101698|1.983076|1.784082|2.313247|0.043992|2.055495|3.222162|2.764980|4.886430|3.260691|4.328417|5.379806|9.225333|18.849776|36.858105| |1.237854|1.358724|0.037454|1.465468|2.228489|1.674506|1.515857|0.041973|2.463985|1.502650|1.771186|1.999759|2.155516|2.018499|1.797025|2.321198|0.043925|2.106963|3.279268|2.866919|5.200194|3.333637|4.497803|5.327637|8.819393|11.656635|14.859982|53.358707| |1.295772|1.427978|0.039466|1.554223|2.375720|1.761767|1.580071|0.043342|2.567809|1.569593|1.917722|2.187415|2.415939|2.277528|1.993165|2.532509|0.047578|2.429892|3.878112|3.519315|6.340365|4.288403|6.311062|7.902432|14.539125|11.993809|9.106022|18.846357|73.516695| |1.181027|1.283256|0.035016|1.378608|2.070181|1.572981|1.430712|0.040068|2.345205|1.395627|1.616285|1.781137|1.870156|1.765170|1.613803|2.119415|0.040638|1.803791|2.773992|2.313791|4.095513|2.643216|3.296459|3.873094|5.464383|10.359373|12.933578|10.679515|9.600372|36.858105| |1.128268|1.224254|0.033513|1.302576|1.951228|1.490967|1.371793|0.038578|2.246345|1.347479|1.511583|1.663340|1.731813|1.625738|1.491767|1.971874|0.037886|1.652749|2.497637|2.070447|3.724606|2.304082|2.808460|3.161318|4.195770|6.901476|7.654048|8.967892|8.014736|13.687289|36.858105| |1.076007|1.160764|0.031701|1.227896|1.825495|1.400708|1.298673|0.036710|2.136987|1.271711|1.400893|1.524795|1.570707|1.479387|1.372530|1.827751|0.035340|1.493336|2.233160|1.820020|3.264692|1.997991|2.362460|2.614218|3.272619|5.283531|5.071255|6.071259|6.052732|7.919140|13.798576|36.858105| |1.070310|1.149392|0.031242|1.218433|1.801744|1.381982|1.278940|0.036207|2.116008|1.241865|1.378407|1.486881|1.525859|1.446695|1.352585|1.805474|0.035070|1.455947|2.180933|1.757428|3.115282|1.934752|2.255457|2.508276|3.065568|5.073895|4.498469|5.124316|5.402878|6.897457|7.981795|13.748487|36.858105| |1.114022|1.196595|0.032416|1.278548|1.891774|1.444795|1.324889|0.037393|2.195896|1.277893|1.454386|1.566806|1.615227|1.539791|1.439419|1.914015|0.037171|1.553369|2.353188|1.894954|3.315733|2.117665|2.478803|2.813102|3.455153|6.035701|5.078804|5.367924|5.797115|7.918172|6.863934|7.903022|13.785199|36.858105| |1.172352|1.266583|0.034363|1.363568|2.032965|1.544610|1.402946|0.039377|2.315207|1.355067|1.579587|1.718614|1.792412|1.707193|1.578942|2.081616|0.040170|1.735558|2.669498|2.183407|3.802350|2.493943|3.011414|3.534558|4.606290|8.905060|7.694442|7.081676|7.456462|13.725606|7.931282|6.865664|7.983174|13.761639|36.858105| |1.003718|1.070485|0.029063|1.126588|1.651421|1.269731|1.186660|0.033735|1.975391|1.150984|1.251786|1.336132|1.359033|1.293055|1.221217|1.640958|0.032081|1.294447|1.915908|1.522188|2.699806|1.651140|1.876566|2.047080|2.398030|3.804694|3.188935|3.829832|4.232661|4.232490|4.779518|7.046736|10.954508|7.051321|4.777774|448.794386| |17.575285|8.847511|0.173821|6.854186|6.359750|4.396409|4.825863|0.119498|12.958244|3.858919|3.645601|2.927940|2.494979|2.441341|2.803752|4.738548|0.109273|2.060685|2.577458|1.765435|3.167367|1.596627|1.534333|1.389189|1.329347|1.772009|1.244027|1.680860|2.291239|1.189760|1.134230|1.084800|1.084020|1.131198|1.187567|8.178594|0.500000| |17.604638|8.911646|0.214751|5.516446|5.650426|3.976375|4.848639|0.118639|13.059979|4.299941|3.303384|2.750038|2.354664|2.277232|2.557604|4.219836|0.093925|1.943070|2.407502|1.664987|3.027217|1.500039|1.447100|1.309672|1.258282|1.669930|1.181563|1.609265|2.190459|1.129757|1.084931|1.037777|1.030820|1.068128|1.119790|7.790752|0.301624|0.500000| |17.553074|8.813513|0.212857|6.867353|6.226086|3.911212|4.222657|0.100245|10.241996|3.766796|3.740358|2.970557|2.574843|2.577210|3.018316|5.082487|0.119920|2.178056|2.657270|1.799317|3.235333|1.608313|1.525876|1.375481|1.305520|1.724589|1.209265|1.644854|2.258141|1.148648|1.095551|1.043387|1.037863|1.081674|1.140147|7.807783|0.299631|0.301110|0.500000| |7.067821|8.798949|0.174346|17.529685|12.345393|6.869112|5.706846|0.131213|12.310273|4.283699|6.348238|4.404578|3.555669|3.473803|4.208776|8.092883|0.196885|2.749480|3.400278|2.281820|4.065569|2.017411|1.914204|1.695932|1.600480|2.118787|1.467407|1.978457|2.730973|1.385242|1.304278|1.233735|1.231782|1.297882|1.380758|9.163943|0.210529|0.142825|0.176269|0.500000| |6.834287|8.989475|0.224132|17.621848|12.321240|5.640728|5.010107|0.110817|10.242058|4.380078|7.266406|4.760982|3.917981|3.970435|5.086394|10.389317|0.276800|3.081624|3.622369|2.387124|4.288369|2.061274|1.920906|1.687126|1.575967|2.058751|1.426526|1.943894|2.708337|1.334880|1.259857|1.185581|1.175490|1.234329|1.318878|8.720124|0.165198|0.141211|0.202794|0.299605|0.500000| |4.385828|5.896016|0.135193|7.033293|12.479776|17.555098|8.885740|0.224339|12.721408|5.490254|6.357709|5.297316|3.926478|3.409109|3.668962|6.470159|0.127929|2.698636|3.464338|2.442192|4.471628|2.168269|2.139747|1.874628|1.806674|2.406614|1.683223|2.269403|3.102095|1.593653|1.504367|1.419720|1.411425|1.482645|1.579896|10.437126|0.126077|0.105995|0.104539|0.204419|0.142395|0.500000| |3.638187|4.991849|0.130573|5.636716|12.285179|17.711231|8.854461|0.210900|10.209505|6.969423|7.340090|7.472443|4.945101|3.871011|3.895770|6.630556|0.120251|3.004389|3.805159|2.750036|5.235091|2.377276|2.371361|2.028828|1.959501|2.571510|1.811797|2.481882|3.414867|1.694577|1.606689|1.500189|1.471341|1.535943|1.651068|10.776002|0.097887|0.091603|0.090080|0.141198|0.126286|0.302616|0.500000| |4.433599|6.545337|0.229488|5.601587|9.090023|6.804254|8.699281|0.173210|11.868258|17.572138|5.367090|4.947874|3.806872|3.264294|3.399932|5.666677|0.108790|2.642400|3.178492|2.259692|4.335196|1.947574|1.901146|1.656168|1.592436|2.071039|1.475010|2.050307|2.821994|1.383826|1.331966|1.251563|1.220297|1.258401|1.340455|9.049138|0.105448|0.118386|0.110644|0.121873|0.138213|0.138165|0.177275|0.500000| |4.365530|5.795283|0.183221|4.430940|6.423399|5.479362|8.873661|0.211540|12.837450|17.589255|3.796309|3.555746|2.887828|2.540465|2.636297|4.256651|0.084599|2.139604|2.652008|1.907813|3.625091|1.689990|1.674317|1.485995|1.449113|1.906418|1.370511|1.897727|2.575025|1.302980|1.264582|1.199960|1.172663|1.201923|1.267085|8.781920|0.105802|0.127051|0.103739|0.104965|0.107407|0.123829|0.140915|0.301141|0.500000| |3.521816|4.717147|0.140819|4.239527|7.092249|6.656216|8.850728|0.219618|10.080611|17.555687|4.386524|4.477806|3.494321|2.898531|2.896253|4.631383|0.087941|2.405898|3.000378|2.197388|4.260076|1.925287|1.931272|1.687664|1.651877|2.162514|1.557732|2.168255|2.949447|1.470752|1.425500|1.341973|1.303543|1.336408|1.419132|9.668520|0.089397|0.096344|0.086553|0.101596|0.102183|0.140599|0.201703|0.301823|0.301668|0.500000| |2.981050|3.873625|0.108962|4.566940|9.555316|6.990619|5.017984|0.121274|6.965971|5.038862|8.810418|17.832400|9.063687|5.600393|5.005544|7.822018|0.127374|4.075372|4.992226|3.652215|7.308892|2.960922|2.907503|2.378064|2.247716|2.867733|2.002233|2.788421|3.939635|1.824344|1.717186|1.575117|1.528297|1.599924|1.749860|11.026859|0.078736|0.075388|0.078176|0.112018|0.115664|0.154134|0.268072|0.150622|0.109011|0.150787|0.500000| |2.313193|2.778674|0.078908|3.264512|5.717290|3.822457|3.096454|0.078163|4.782311|3.155789|5.630023|9.053123|17.744742|8.834154|5.741288|6.896566|0.111320|6.908319|8.323230|6.432201|14.772019|4.407938|4.083189|3.075828|2.760339|3.363600|2.293630|3.250690|4.824512|2.011948|1.863570|1.672565|1.609782|1.699464|1.901546|11.412154|0.061648|0.058968|0.063150|0.083524|0.089936|0.095629|0.122285|0.095552|0.074782|0.091997|0.219058|0.500000| |2.793337|3.156242|0.087438|4.085264|5.921464|3.345142|2.788324|0.068417|4.874166|2.667748|5.749483|5.006600|5.662613|8.918053|17.766264|12.582929|0.233894|6.848357|6.909674|3.851774|6.406365|3.112091|2.634729|2.242593|1.978525|2.511012|1.685045|2.301497|3.329797|1.529657|1.413348|1.305089|1.290957|1.375807|1.504532|9.393983|0.074791|0.067918|0.081820|0.107573|0.130653|0.088540|0.090332|0.082449|0.065940|0.070399|0.108604|0.124139|0.500000| |2.108670|2.362050|0.066688|2.817626|4.245221|2.637910|2.260209|0.057050|3.831797|2.242869|3.955791|4.172243|5.532459|8.927289|7.332051|6.539650|0.116747|17.603064|12.592867|5.822710|9.049958|4.301592|3.317880|2.739582|2.316622|2.843548|1.886559|2.615608|3.903195|1.671346|1.534627|1.396342|1.368160|1.460030|1.620607|9.831390|0.056556|0.053197|0.060574|0.074417|0.084664|0.069617|0.075073|0.068440|0.056025|0.061443|0.096149|0.139795|0.217496|0.500000| |2.035463|2.326140|0.066748|2.705029|4.242417|2.710593|2.335114|0.059072|3.847519|2.385835|3.966871|4.648439|6.785479|8.939873|5.914100|5.910651|0.101874|17.618716|12.545319|7.352346|13.451262|4.751586|3.758051|2.960124|2.519991|3.026916|2.033943|2.883305|4.358440|1.779238|1.644308|1.481686|1.433032|1.517128|1.693559|10.226663|0.054101|0.052016|0.057578|0.070047|0.079290|0.069940|0.079749|0.073192|0.059150|0.066855|0.109970|0.195282|0.148345|0.303218|0.500000| |1.861653|2.069384|0.057106|2.444553|3.723720|2.446306|2.073033|0.053685|3.475556|2.014382|3.353860|3.674532|4.753259|6.097809|4.944037|5.123676|0.093104|9.033965|26.078140|9.353212|10.890198|7.456541|4.803829|3.839942|3.021834|3.643943|2.318246|3.164466|4.861409|2.006588|1.795154|1.612123|1.587169|1.724409|1.954419|11.218010|0.051033|0.047265|0.052444|0.066804|0.070343|0.066590|0.070957|0.059524|0.050413|0.056177|0.088634|0.130996|0.136122|0.232611|0.185165|0.500000| |1.624885|1.796877|0.049254|2.066520|3.160641|2.191286|1.876422|0.049775|3.109291|1.818618|2.720135|3.053696|3.703297|3.968446|3.336790|3.867094|0.071473|4.768625|10.179194|8.873333|10.516935|17.537799|8.792273|6.846825|4.580202|5.265400|3.125189|4.191574|6.781335|2.585030|2.230381|1.955819|1.923990|2.132905|2.504755|13.240711|0.044974|0.041780|0.045072|0.057172|0.057754|0.060580|0.064764|0.052507|0.045804|0.051655|0.078420|0.109898|0.088882|0.118474|0.118668|0.232392|0.500000| |1.511574|1.670236|0.046448|1.885854|2.875439|1.995548|1.745015|0.046232|2.885678|1.730319|2.458274|2.793273|3.419079|3.616890|2.991601|3.466109|0.064047|4.593407|8.965623|9.060474|11.763692|17.508809|8.819885|6.906196|4.582205|4.953180|3.067388|4.337570|7.313923|2.497464|2.200556|1.912803|1.845257|2.005428|2.345672|12.705131|0.041425|0.039211|0.042059|0.051376|0.053061|0.054234|0.059199|0.050283|0.043853|0.049429|0.072800|0.105481|0.079899|0.114129|0.126043|0.181687|0.303428|0.500000| |1.523960|1.708026|0.047507|1.901705|2.974845|2.145901|1.875272|0.050356|3.023309|1.872822|2.506622|2.980863|3.543164|3.328361|2.732881|3.336740|0.060988|3.726553|6.391971|6.998930|13.018968|8.881914|17.617925|8.821394|6.905450|6.634263|4.240479|6.450991|12.237462|3.222922|2.827693|2.361158|2.210226|2.377725|2.857958|14.792107|0.041753|0.039815|0.041727|0.051572|0.052262|0.058066|0.065657|0.053648|0.047185|0.054836|0.081814|0.117095|0.069948|0.088545|0.105770|0.117392|0.173458|0.211063|0.500000| |1.634451|1.836560|0.050309|2.077935|3.276116|2.382458|2.031936|0.054800|3.270024|1.977036|2.768415|3.277796|3.827327|3.569064|2.970472|3.668528|0.066961|3.792597|6.741396|6.839592|11.246567|8.861572|17.543860|8.845126|6.991661|7.528176|4.429717|6.034939|10.220979|3.436716|2.903493|2.451752|2.357624|2.609781|3.177946|15.700615|0.045240|0.042368|0.044508|0.057199|0.056478|0.065742|0.073075|0.056101|0.049434|0.057643|0.089345|0.121915|0.075364|0.090071|0.100637|0.127653|0.211473|0.173393|0.303810|0.500000| |1.393832|1.525203|0.041673|1.705424|2.580701|1.861305|1.631244|0.044229|2.697042|1.582176|2.123774|2.363394|2.674703|2.677090|2.358772|2.911145|0.054942|2.952708|5.152151|4.525007|6.950776|6.857869|8.756415|17.599979|9.125888|9.956059|4.895450|6.113195|10.348151|3.733083|3.000549|2.537124|2.499781|2.868946|3.598851|16.483084|0.038834|0.036311|0.038292|0.047536|0.046896|0.052037|0.055276|0.044815|0.040339|0.045448|0.063653|0.080268|0.062780|0.075325|0.078178|0.108741|0.204364|0.171360|0.172760|0.209845|0.500000| |1.323558|1.449628|0.040055|1.604062|2.426562|1.743211|1.548195|0.041835|2.555042|1.528915|1.999065|2.246414|2.573662|2.569783|2.232770|2.735950|0.051469|2.917731|4.980633|4.566919|7.326160|6.842554|8.810948|17.546372|9.055116|8.171769|4.676588|6.608263|12.639559|3.480121|2.930916|2.446117|2.332733|2.575104|3.162184|15.475921|0.036562|0.034673|0.036475|0.044154|0.044392|0.048006|0.051911|0.043578|0.039130|0.044096|0.060838|0.078953|0.059470|0.074288|0.080466|0.101824|0.168379|0.206045|0.212016|0.173390|0.301725|0.500000| |1.125659|1.224812|0.033680|1.299499|1.952386|1.490710|1.376126|0.038631|2.245961|1.362862|1.515317|1.678124|1.752672|1.637481|1.494231|1.971671|0.037768|1.669551|2.511097|2.098173|3.824110|2.316665|2.837141|3.142926|4.161864|6.371637|7.062808|10.021542|8.551617|8.904534|17.744641|8.950012|5.668118|4.949417|5.644905|31.650657|0.031309|0.030118|0.030375|0.035950|0.034961|0.041488|0.044785|0.037494|0.035539|0.040205|0.048309|0.052798|0.039233|0.042925|0.046541|0.049761|0.061336|0.061874|0.081423|0.080495|0.080733|0.082111|0.500000| |1.037929|1.118009|0.030602|1.175570|1.743543|1.340490|1.252360|0.035469|2.061695|1.232057|1.332181|1.447349|1.484816|1.396442|1.298729|1.734847|0.033594|1.406717|2.084313|1.691929|3.055517|1.835093|2.144099|2.333789|2.853005|4.427164|4.119964|5.258233|5.377500|5.633680|8.914476|17.753885|8.918207|5.637574|4.951086|53.879272|0.029023|0.027902|0.027943|0.032736|0.031530|0.037634|0.039841|0.033635|0.032419|0.036166|0.041664|0.043886|0.034317|0.036604|0.038944|0.041682|0.049684|0.049066|0.060168|0.061489|0.062557|0.061387|0.215082|0.500000| |1.100450|1.176404|0.031765|1.257400|1.849309|1.410948|1.294800|0.036579|2.157874|1.242096|1.416535|1.512599|1.553149|1.489734|1.403585|1.871220|0.036517|1.498800|2.265162|1.802254|3.130890|2.007108|2.303743|2.597134|3.074019|5.255789|4.128238|4.493056|5.069392|5.634400|4.950110|5.636018|8.929975|17.752954|8.900759|53.891123|0.031149|0.029295|0.029692|0.035624|0.033718|0.040436|0.041412|0.033943|0.032509|0.035919|0.042735|0.045020|0.037416|0.039346|0.040455|0.046404|0.056825|0.052797|0.060810|0.067474|0.074977|0.066245|0.107511|0.124199|0.500000| 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