Version2.2 2021-02-06T11:59:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 19-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]2CCCCC2)NC(=O)c3ccc(cc3Cl)Cl C36624979 RHF 6-31G(d) (6D,7F) CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]2CCCCC2)NC(=O)c3ccc(cc3Cl)Cl C01[X(C25H32Cl2N3O2)] 186 C1 552 CC([C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)NC(=O)c1ccc(cc1Cl)Cl)C CC([C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)NC(=O)c1ccc(cc1Cl)Cl)C CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc2ccccc2C[NH+]3CCCCC3 InChIKey=OLXXFQLMIKXDCL-QHCPKHFHSA-O InChI=1S/C25H31Cl2N3O2/c1-17(2)23(29-24(31)21-11-10-20(26)14-22(21)27)25(32)28-15-18-8-4-5-9-19(18)16-30-12-6-3-7-13-30/h4-5,8-11,14,17,23H,3,6-7,12-13,15-16H2,1-2H3,(H,28,32)(H,29,31)/p+1/t23-/m0/s1 InChI=1/C25H31Cl2N3O2/c1-17(2)23(29-24(31)21-11-10-20(26)14-22(21)27)25(32)28-15-18-8-4-5-9-19(18)16-30-12-6-3-7-13-30/h4-5,8-11,14,17,23H,3,6-7,12-13,15-16H2,1-2H3,(H,28,32)(H,29,31)/p+1/t23-/m0/s1/fC25H32Cl2N3O2/h28-30H/q+1 CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]2CCCCC2)NC(=O)c3ccc(cc3Cl)Cl C01[X(C25H32Cl2N3O2)] 186 C01 552 CC([C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)NC(=O)c1ccc(cc1Cl)Cl)C CC([C@@H](C(=O)NC[C]1[CH][CH][CH][CH][C]1C[NH]1CCCCC1)NC(=O)[C]1[CH][CH][C]([CH][C]1Cl)Cl)C CC(C)[C@H](NC(=O)[C]1[CH][CH][C](Cl)[CH][C]1Cl)C(=O)NC[C]2[CH][CH][CH][CH][C]2C[NH]3CCCCC3 InChIKey=ARMLHQDTHLGXFR-QHCPKHFHSA-N InChI=1S/C25H32Cl2N3O2/c1-17(2)23(29-24(31)21-11-10-20(26)14-22(21)27)25(32)28-15-18-8-4-5-9-19(18)16-30-12-6-3-7-13-30/h4-5,8-11,14,17,23,30H,3,6-7,12-13,15-16H2,1-2H3,(H,28,32)(H,29,31)/t23-/m0/s1 InChI=1/C25H32Cl2N3O2/c1-17(2)23(29-24(31)21-11-10-20(26)14-22(21)27)25(32)28-15-18-8-4-5-9-19(18)16-30-12-6-3-7-13-30/h4-5,8-11,14,17,23,30H,3,6-7,12-13,15-16H2,1-2H3,(H,28,32)(H,29,31)/t23-/m0/s1/f/h28-29H 3533.0848312543 -2197.2346825 1-A 22990.2295 126 426 552 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0.7525 0.4494 0.6900 0.6311 0.8288 0.4960 0.4762 0.8312 0.6668 0.5600 0.8500 0.5810 0.2653 0.3518 0.4374 0.3515 0.3245 0.2162 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 6 6 6 6 1 6 8 7 6 6 6 6 6 6 6 6 7 1 6 6 6 6 6 7 6 8 6 6 6 6 6 6 17 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 34.96885 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 10115.9169 34737.7555 40443.1255 0.99991 -0.01362 0.00024 0.01362 0.99990 -0.00266 -0.00021 0.00266 1.00000 1 0.00856 0.00249 0.00214 0.17841 0.05195 0.04462 12.84 16.25 19.52 35.61 49.23 62.28 66.35 72.04 82.03 98.56 112.72 144.11 178.03 185.17 209.44 225.87 234.04 273.55 298.61 313.09 331.36 339.70 352.82 365.21 374.46 385.75 422.78 444.12 467.47 481.15 496.78 530.12 550.88 593.35 611.77 624.10 632.79 653.01 673.66 682.33 701.56 703.92 758.20 782.22 790.74 819.82 825.23 868.34 894.80 918.22 946.28 962.21 982.34 1058.11 1084.48 1131.06 1152.39 1173.43 1192.99 1241.14 1245.19 1246.39 1247.79 1278.80 1314.25 1319.54 1330.31 1357.10 1363.97 1367.34 1410.04 1442.49 1454.66 1463.40 1465.22 1469.08 1498.01 1503.94 1511.45 1515.72 1567.65 1577.13 1602.88 1605.34 1628.30 1637.67 1644.70 1659.68 1664.81 1668.66 1681.66 1684.95 1730.93 1762.84 1765.15 1769.20 1771.87 1782.60 1804.99 1848.16 1851.95 1865.93 1877.51 1900.10 1902.19 1919.39 1938.78 1949.34 1970.96 2009.13 2018.89 2026.13 2036.57 2050.37 2076.09 2097.68 2126.07 2134.52 2145.35 2154.69 2171.47 2199.55 2206.19 2209.06 2213.00 2220.75 2226.98 2247.96 2268.16 2275.60 2287.77 2295.90 2331.28 2342.29 2345.33 2350.45 2359.60 2361.47 2366.41 2368.26 2373.35 2379.48 2383.37 2398.78 2404.52 2407.34 2446.53 2475.65 2519.00 2560.11 2583.97 2599.74 2730.51 2827.78 4580.05 4613.80 4616.64 4618.90 4631.31 4634.63 4693.02 4697.60 4704.30 4707.77 4716.54 4718.18 4721.74 4723.64 4724.85 4727.22 4740.52 4745.46 4788.09 4797.42 4811.97 4816.35 4850.12 4853.96 4875.12 4879.02 4896.83 4907.28 4924.13 5313.81 5558.88 5602.17 0.583224 0.612900 0.613844 0.516440 -2196.651459 -2196.621783 -2196.620839 -2196.718243 3.266946D-04 MUNgauss RevisionA2.1 retrievium 06-Feb-2021 DUDE CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]2CCCCC2)NC(=O)c3ccc(cc3Cl)Cl C36624979 RHF 6-31G(d) (6D,10F) C1 476.187158 |X|Y|Z| 130.674039 66.997397 37.756535 69.142719 25 6 7 22 3 |36.858105| |12.441447|36.858105| |7.558609|12.436504|36.858105| |7.522961|12.276040|7.408430|36.858105| |7.165526|8.875817|5.477552|17.628302|0.500000| |4.906848|7.491451|6.109609|12.474092|0.247997|36.858105| |4.050300|5.737237|5.625969|7.932804|0.166307|15.725442|73.516695| |4.276611|5.986737|4.793140|7.819403|0.205855|14.113995|15.094296|53.358707| |3.233447|4.173704|3.702202|4.993824|0.133879|7.721246|12.053291|17.842060|36.858105| |2.916065|3.677149|3.405454|3.939217|0.105059|5.341336|8.780612|10.347438|12.512077|36.858105| |2.588506|3.099180|2.830848|3.264032|0.090718|4.050424|6.585204|7.488589|7.625109|13.710270|36.858105| |2.313250|2.702735|2.537596|2.737624|0.075565|3.245375|5.405979|5.541231|5.020499|7.858614|13.748951|36.858105| |2.276421|2.676706|2.607243|2.636093|0.070991|3.111301|5.317263|5.068295|4.404813|6.794092|7.954674|13.780553|36.858105| |2.490952|3.025741|3.038544|2.956130|0.077268|3.596352|6.291894|5.739206|4.964852|7.897431|6.939096|7.986617|13.767443|36.858105| |2.838239|3.605897|3.576918|3.646012|0.093475|4.790979|8.411761|7.957952|7.391205|13.597054|7.952501|6.845496|7.871758|13.697998|36.858105| |3.028041|3.979026|4.277688|3.980670|0.096604|5.344965|10.349933|7.658245|6.218354|7.447544|5.002064|4.438270|5.044793|7.672701|12.606002|36.858105| |2.519305|3.153099|3.450779|3.234412|0.079639|4.162972|8.614110|5.697897|4.806135|5.390867|4.058493|3.755532|4.286001|5.999519|7.555876|12.580115|53.358707| |2.295444|2.803546|3.032711|2.826751|0.071038|3.508969|6.937652|4.949812|4.209851|5.033618|4.024009|3.935231|4.735565|6.762867|7.261121|9.281064|25.704648|0.500000| |2.347779|2.891301|3.041258|3.134518|0.078557|4.123306|8.802686|5.675296|5.150819|5.280296|4.049617|3.597385|3.824536|4.820990|6.136609|7.573873|17.235167|0.259149|36.858105| |2.004747|2.386017|2.532864|2.554201|0.064904|3.159007|6.597301|4.276101|3.696882|3.790302|3.181622|2.963688|3.168483|3.774095|4.272265|4.936655|10.397190|0.199080|12.500920|36.858105| |1.979558|2.338194|2.565101|2.464305|0.061809|2.952612|6.259433|3.833545|3.115750|3.132000|2.650957|2.497252|2.693367|3.206227|3.562703|4.359609|8.810930|0.164219|7.546688|12.462649|36.858105| |2.090578|2.486221|2.818316|2.527182|0.062655|2.986662|6.237643|3.862185|3.048834|3.168712|2.661553|2.554556|2.848160|3.505890|3.808220|4.957752|10.380138|0.198134|6.515256|7.596248|12.461332|36.858105| |2.486532|3.071777|3.567927|3.083925|0.074673|3.762119|7.999127|4.807482|3.734662|3.909595|3.119855|2.935985|3.305232|4.308400|4.972184|7.664052|17.241045|0.258287|7.684091|6.522734|7.545153|12.500965|36.858105| |6.189125|7.601351|6.300051|13.221421|0.260569|7.899383|12.469131|7.207827|3.961780|3.190388|2.700772|2.316953|2.252386|2.513209|3.023323|3.379519|3.988941|0.071148|2.906821|2.448570|2.424279|2.452215|2.910662|53.358707| |5.349644|5.450194|4.535853|7.777207|0.213766|5.414088|8.709597|5.721840|3.328544|2.721851|2.390620|2.070875|1.991507|2.170234|2.544784|2.750807|3.335460|0.060709|2.473725|2.142237|2.117685|2.113202|2.428162|19.080129|36.858105| |5.407246|5.073095|3.978572|6.837079|0.227564|4.801613|7.352766|5.516059|3.209349|2.644881|2.379540|2.061263|1.956342|2.095132|2.429015|2.544671|3.063177|0.056518|2.270744|1.972070|1.924722|1.920663|2.192900|11.540432|15.929540|73.516695| |3.970249|4.008348|3.719981|5.051205|0.133964|4.128676|7.291090|4.512382|2.803257|2.345593|2.077870|1.828463|1.774260|1.931312|2.231700|2.437626|3.068005|0.056065|2.303427|2.051333|2.066375|2.039438|2.285038|10.767605|12.645727|14.252620|36.858105| |3.255717|3.463999|3.331483|4.395524|0.114609|4.012086|7.558528|4.403064|2.845659|2.359194|2.078243|1.823807|1.770854|1.933936|2.245734|2.470847|3.192805|0.058003|2.461682|2.215754|2.240706|2.161098|2.386074|8.628709|7.632455|9.927587|13.713661|36.858105| |2.690538|2.807510|2.777821|3.348588|0.088262|3.148552|5.997529|3.599249|2.405418|2.049138|1.829742|1.629860|1.591458|1.728377|1.972969|2.164367|2.863836|0.052607|2.215752|2.052755|2.105734|2.016189|2.168577|5.993406|5.036706|7.314931|7.876688|13.780005|36.858105| |2.577412|2.590792|2.575047|2.963146|0.079035|2.709355|5.036195|3.154927|2.101625|1.827987|1.651497|1.488237|1.458312|1.574559|1.772095|1.932145|2.547646|0.047305|1.937850|1.809279|1.865759|1.812560|1.940297|5.177886|4.451787|6.753561|6.866743|8.007750|13.787540|36.858105| |2.882599|2.787930|2.736362|3.129702|0.084263|2.735406|4.940766|3.184334|2.078534|1.817192|1.647365|1.487562|1.457360|1.570119|1.761405|1.912373|2.478874|0.046165|1.854640|1.714153|1.759826|1.737407|1.882480|5.524890|5.001548|7.695771|7.895177|6.898836|7.914351|13.777620|36.858105| |3.606582|3.423512|3.255732|3.931569|0.106254|3.248383|5.714843|3.704088|2.345771|2.024637|1.823211|1.631679|1.592143|1.720162|1.948440|2.114852|2.684470|0.049708|1.993521|1.807211|1.837530|1.828208|2.020045|7.374718|7.498667|10.939145|13.708021|7.982446|6.870499|7.982032|13.771906|36.858105| |4.042726|3.489861|3.251166|3.718961|0.103264|2.960058|5.023160|3.471234|2.175225|1.917877|1.748684|1.580783|1.544746|1.657039|1.852309|1.987024|2.485851|0.046515|1.810722|1.638464|1.659820|1.678564|1.863554|6.375457|6.122303|10.489189|6.979106|4.758297|4.226358|4.801844|7.119682|10.975511|448.794386| |2.101296|2.109128|2.124697|2.342595|0.062826|2.200894|4.109897|2.632345|1.795363|1.591914|1.454073|1.326043|1.304620|1.400523|1.554398|1.685543|2.259842|0.042415|1.722795|1.644098|1.708767|1.652173|1.730691|3.866516|3.167671|5.039985|4.224795|4.786400|7.053501|10.980616|7.068743|4.785523|28.553970|448.794386| |17.580572|8.768637|6.835938|6.755533|0.174660|4.458722|6.879007|5.107571|2.926299|2.613993|2.323431|2.084794|2.057401|2.251495|2.556645|2.769255|3.229059|0.059895|2.237519|1.937706|1.937710|2.034200|2.387006|9.193008|6.189735|10.674803|4.651692|3.627833|2.985149|2.910239|3.355543|4.345378|41.099809|18.691427|0.500000| |17.558964|8.821714|6.938963|5.478684|0.144795|4.070823|6.198076|5.035727|2.913365|2.731453|2.457149|2.246066|2.240912|2.444972|2.717930|2.889532|3.282150|0.061810|2.209827|1.904907|1.890962|2.023579|2.398468|6.365820|4.135174|7.406023|3.303272|2.788060|2.375685|2.305683|2.566292|3.104634|28.317996|15.453032|0.301794|0.500000| |17.572343|8.746596|5.483170|6.911557|0.217429|4.624294|6.633481|5.797434|3.223104|2.882483|2.617303|2.324597|2.243115|2.404273|2.725700|2.811585|3.200087|0.059989|2.228122|1.907423|1.859719|1.938961|2.277663|7.589757|5.263605|10.505172|3.826989|3.135439|2.594340|2.487802|2.784369|3.483623|31.741877|16.339619|0.302249|0.301380|0.500000| |8.930578|17.493912|8.913676|8.925875|0.213999|7.129437|9.429689|9.145338|4.598932|4.217832|3.557086|3.091899|3.053041|3.446340|4.111944|4.343588|4.483472|0.082369|2.970286|2.420357|2.328725|2.490733|3.101405|7.635422|4.359115|7.570189|3.336864|2.980875|2.470418|2.280835|2.421963|2.895087|23.714939|15.229210|0.173696|0.215032|0.212902|0.500000| |6.878174|8.772196|17.563462|6.638922|0.139176|5.311311|9.253272|5.560115|3.262541|2.955382|2.495534|2.247314|2.298279|2.643770|3.072289|3.661827|4.257671|0.076488|2.831078|2.416791|2.496045|2.712382|3.333189|9.344251|4.970687|7.388110|4.239223|3.724132|3.101428|2.901282|3.120261|3.747874|29.788014|18.929032|0.203816|0.171472|0.140086|0.173577|0.500000| |5.470710|8.697778|17.547237|6.750818|0.138478|6.809934|12.150163|7.146890|4.164319|3.863044|3.090744|2.755716|2.876853|3.473247|4.220085|5.473438|5.814869|0.101061|3.634088|2.944422|2.990256|3.346997|4.472615|7.799118|4.105123|6.354562|3.471000|3.262827|2.739909|2.490417|2.574090|2.990241|23.089398|16.673683|0.139575|0.141076|0.122116|0.210621|0.301608|0.500000| |6.920752|8.826275|17.565107|5.436438|0.123435|4.692843|7.744835|5.484227|3.250193|3.130236|2.668184|2.455820|2.561485|2.966081|3.356581|3.927677|4.352673|0.080127|2.764561|2.344545|2.384878|2.666039|3.331026|6.423795|3.717681|6.033284|3.150023|2.832462|2.432754|2.300992|2.457278|2.866705|23.739229|15.579283|0.169447|0.209024|0.141287|0.215504|0.302632|0.301749|0.500000| |4.582159|6.093241|4.514413|7.535547|0.230637|9.439153|10.880613|26.033292|9.061122|6.505061|5.356934|4.022737|3.585920|3.880822|5.007747|4.600609|4.789501|0.087758|3.463995|2.719836|2.462036|2.493964|3.033748|6.761280|4.146062|7.497974|3.201912|3.037719|2.497067|2.226150|2.280877|2.672534|20.646428|14.941281|0.108218|0.109630|0.133407|0.201759|0.106729|0.129230|0.108655|0.500000| |3.028580|3.893876|3.628437|4.755875|0.122507|7.593340|14.312838|12.687499|17.678942|8.791315|5.814499|4.248137|3.926428|4.558871|6.686819|6.495285|7.461498|0.127332|6.518660|4.413810|3.636285|3.439591|4.212117|5.483502|3.355958|5.578526|2.907385|3.047070|2.580969|2.216192|2.154945|2.407691|17.505630|15.203567|0.078156|0.075708|0.082369|0.113421|0.091160|0.116159|0.087366|0.181711|0.500000| |2.965791|3.638552|3.170974|4.396157|0.125313|6.053479|9.440491|12.543270|17.599967|8.958053|7.508375|4.861496|4.016980|4.203601|5.568054|4.645231|5.289707|0.098013|4.295823|3.292353|2.774285|2.663813|3.126600|4.906917|3.177027|5.597084|2.692777|2.741471|2.333761|2.042843|2.016605|2.265453|16.877026|14.080156|0.075199|0.074212|0.084345|0.109978|0.079380|0.095602|0.078449|0.223646|0.305389|0.500000| |2.531102|2.966506|2.646241|3.204330|0.091871|3.888779|6.215737|7.229560|7.154781|8.934876|17.716273|8.958422|5.664550|4.986210|5.650534|4.067107|4.664326|0.093175|3.544136|2.867226|2.413631|2.381902|2.737001|3.631611|2.410656|4.334296|2.088950|2.087910|1.836281|1.656776|1.653124|1.831309|14.097289|11.701026|0.063374|0.066129|0.072479|0.093393|0.065644|0.078634|0.068913|0.150773|0.150922|0.234782|0.500000| |2.121136|2.416365|2.256694|2.446844|0.068534|2.817719|4.687396|4.709573|4.111958|5.618423|8.924769|17.732399|8.916226|5.663123|4.938954|3.549812|4.241738|0.090746|3.039680|2.598788|2.217913|2.251309|2.526478|2.856629|1.908463|3.410509|1.695196|1.687748|1.518896|1.395250|1.396505|1.525352|11.926924|10.040798|0.053364|0.057459|0.059817|0.076051|0.056143|0.066946|0.061068|0.097345|0.098590|0.115987|0.216672|0.500000| |2.072235|2.384847|2.347283|2.321398|0.062708|2.665320|4.586519|4.210602|3.528578|4.912422|5.647611|8.903551|17.735882|8.917349|5.619367|4.124179|5.019830|0.115352|3.290956|2.855106|2.476115|2.637680|2.976492|2.743217|1.801239|3.153462|1.620257|1.614806|1.464695|1.352214|1.352958|1.469212|11.509931|9.788264|0.052338|0.057297|0.056720|0.074777|0.058045|0.071115|0.064988|0.083806|0.089533|0.091342|0.124373|0.214050|0.500000| |2.380775|2.862245|2.978180|2.736307|0.070752|3.244142|5.797533|4.917812|4.042341|5.621508|4.982894|5.673974|8.962208|17.668696|8.900857|7.175410|8.349003|0.207342|4.568243|3.747967|3.299939|3.782876|4.640911|3.227945|2.049456|3.494057|1.845313|1.847550|1.665350|1.526244|1.522365|1.658273|12.861724|10.965108|0.060244|0.065774|0.063046|0.089188|0.072415|0.095044|0.082309|0.092658|0.107298|0.096225|0.108033|0.124524|0.216435|0.500000| |3.104633|4.048671|4.587236|3.780386|0.091340|4.687803|8.783733|6.495495|4.836006|5.722173|4.271953|4.018896|4.753513|7.151997|8.912080|17.620450|12.444726|0.220280|5.600255|4.163958|3.935964|4.784481|7.459076|4.389266|2.631490|4.336152|2.338671|2.333716|2.058889|1.865004|1.864184|2.061023|15.796097|13.113407|0.078432|0.084423|0.078714|0.123867|0.106853|0.165060|0.122372|0.114421|0.134716|0.106076|0.098173|0.091365|0.112668|0.212838|0.500000| |3.429968|4.734082|5.086674|4.959160|0.115205|7.353331|15.341585|9.627708|7.172295|7.000621|4.652115|3.922301|4.157938|5.610503|8.744063|17.720455|12.467614|0.182543|7.137932|4.656640|4.235867|4.610102|6.977568|5.636563|3.237104|5.215844|2.824183|2.868925|2.458472|2.164512|2.140455|2.396234|17.827084|14.898876|0.087419|0.088446|0.087522|0.139325|0.120117|0.190128|0.121974|0.149026|0.220114|0.141869|0.110320|0.089468|0.096116|0.143352|0.302158|0.500000| |2.542971|3.177861|3.339206|3.575627|0.088038|4.885279|11.347534|6.358241|5.594838|5.082436|3.834584|3.294357|3.389180|4.165803|5.478135|7.034429|12.461551|0.182399|17.613506|8.769709|6.792105|5.776828|7.068222|4.587810|2.820358|4.519899|2.628685|2.855784|2.533887|2.175041|2.065817|2.231609|15.987014|15.308515|0.067876|0.065422|0.066749|0.088684|0.087355|0.111826|0.081979|0.104584|0.214932|0.127625|0.095997|0.078206|0.081185|0.108571|0.146353|0.219353|0.500000| |2.304446|2.819669|2.864166|3.077861|0.078966|4.072939|8.210900|5.995651|5.970801|6.473583|4.942706|4.280488|4.423617|5.439774|7.065093|7.107680|12.390333|0.224754|17.653686|8.787489|5.490088|4.890372|5.617524|3.800921|2.407272|3.998284|2.213591|2.346637|2.104331|1.846873|1.776551|1.917091|14.084956|13.182083|0.060411|0.060202|0.061668|0.082038|0.073293|0.093034|0.072749|0.102277|0.207086|0.140187|0.118145|0.098658|0.102735|0.134099|0.143965|0.180206|0.300496|0.500000| |1.910825|2.248750|2.344201|2.453494|0.063112|3.016735|6.266697|4.092613|3.569003|3.527409|3.033099|2.790078|2.887193|3.305831|3.744477|4.114151|7.594579|0.145403|8.976103|17.576371|8.789236|5.510562|4.893213|3.240550|2.115293|3.472346|2.043774|2.237514|2.087963|1.827627|1.715155|1.797036|12.967656|13.398965|0.051587|0.050127|0.050947|0.062988|0.062736|0.074372|0.059984|0.072764|0.119689|0.091167|0.077906|0.069041|0.072505|0.089141|0.096961|0.112088|0.213502|0.212843|0.500000| |1.873500|2.205345|2.329088|2.319346|0.059598|2.815896|5.672538|3.904537|3.385725|3.648795|3.169376|3.060494|3.347383|3.937681|4.191275|4.574267|9.326077|0.209383|8.867658|17.514244|8.814314|6.774970|5.683911|2.995297|1.943542|3.218874|1.854103|1.977768|1.840789|1.642880|1.567917|1.651262|12.171175|12.069911|0.050040|0.049925|0.049736|0.062898|0.061324|0.074385|0.060882|0.070289|0.107501|0.084951|0.078602|0.074916|0.085213|0.110704|0.110341|0.114137|0.172989|0.215092|0.304025|0.500000| |2.061807|2.439027|2.686384|2.616180|0.065092|3.132495|6.844252|3.945631|3.143858|3.029040|2.546827|2.354638|2.489513|2.935492|3.344432|4.132513|7.683625|0.135346|6.766033|8.846984|17.531315|8.845416|6.756252|3.585480|2.295076|3.658211|2.270017|2.506418|2.362851|2.066323|1.926145|2.002970|14.291479|15.135894|0.056639|0.054208|0.053628|0.066329|0.073854|0.086933|0.068302|0.069952|0.103702|0.077888|0.065312|0.058320|0.063248|0.082521|0.103333|0.118130|0.198602|0.138850|0.215045|0.173410|0.500000| |1.782405|2.066296|2.251008|2.166008|0.054986|2.533841|5.241072|3.316527|2.679846|2.708423|2.362132|2.259744|2.430372|2.815200|3.028814|3.538206|6.629017|0.131761|5.504204|8.834083|17.589493|8.839043|5.505252|2.921826|1.908356|3.105603|1.881202|2.040234|1.948004|1.741884|1.638547|1.693368|12.320156|13.004758|0.048670|0.047543|0.046751|0.057151|0.061300|0.071415|0.058789|0.060191|0.085060|0.067753|0.060364|0.056604|0.063153|0.080946|0.091007|0.095015|0.139001|0.123216|0.209290|0.215197|0.303479|0.500000| |2.044018|2.398851|2.768909|2.414195|0.059707|2.772284|5.764581|3.518326|2.698257|2.756023|2.349106|2.259519|2.496487|3.007584|3.235674|4.137820|7.587966|0.144814|4.892294|5.510083|8.785095|17.577209|8.973399|3.250220|2.069042|3.325559|2.024675|2.144613|2.024162|1.834124|1.756346|1.833625|13.515168|13.520100|0.055844|0.055217|0.052325|0.065841|0.075489|0.090283|0.073298|0.063824|0.083511|0.066192|0.059140|0.055988|0.064968|0.090211|0.115321|0.110737|0.129599|0.107755|0.123135|0.138686|0.215041|0.209216|0.500000| |1.947445|2.288589|2.561439|2.296867|0.057707|2.682674|5.421718|3.560773|2.838128|3.052829|2.626037|2.590372|2.952815|3.614588|3.722030|4.587872|9.300706|0.207877|5.670001|6.773108|8.818009|17.515138|8.873401|2.998325|1.919875|3.142239|1.844403|1.935739|1.812362|1.645401|1.586754|1.668127|12.441061|12.122640|0.052315|0.052855|0.050494|0.064577|0.067859|0.083122|0.068546|0.064810|0.086825|0.069643|0.064855|0.063677|0.077362|0.111853|0.126116|0.113102|0.132481|0.127324|0.138721|0.197316|0.173448|0.215523|0.303972|0.500000| |2.538054|3.117890|3.721761|2.997837|0.072635|3.530185|7.174659|4.544979|3.423469|3.684612|2.997865|2.888788|3.330388|4.380882|4.796443|7.225789|12.374859|0.223520|5.612779|4.893438|5.487461|8.783487|17.624713|3.808176|2.337510|3.778876|2.186164|2.238891|2.037368|1.850406|1.818193|1.957139|14.750591|13.274774|0.067234|0.069255|0.064002|0.088321|0.095175|0.129671|0.099897|0.081412|0.102611|0.080098|0.072695|0.069260|0.084627|0.138099|0.235910|0.174507|0.144732|0.126833|0.107756|0.127593|0.138638|0.123224|0.212652|0.215267|0.500000| |2.722815|3.423616|4.076306|3.503820|0.082748|4.319470|9.775444|5.210277|3.901541|3.834008|3.022942|2.767682|3.015095|3.825285|4.608764|7.111358|12.450103|0.181990|7.050099|5.761881|6.769760|8.767529|17.605939|4.598034|2.754726|4.330830|2.602094|2.740253|2.464175|2.178402|2.104430|2.269187|16.557634|15.392431|0.073401|0.071888|0.068518|0.093309|0.107746|0.146314|0.101978|0.089846|0.125076|0.090060|0.074996|0.066557|0.074941|0.109871|0.186657|0.213587|0.214628|0.144604|0.129171|0.132381|0.197581|0.138720|0.213891|0.173040|0.301274|0.500000| |5.116988|6.420121|6.366221|9.082008|0.182087|7.338698|13.873798|6.611246|3.832975|3.127723|2.613932|2.261146|2.229750|2.523289|3.043111|3.531448|4.269995|0.075104|3.114952|2.634949|2.661474|2.692279|3.206709|26.076552|9.344162|10.860210|7.570313|6.867506|4.793950|4.023244|4.138234|5.259295|34.621729|24.080988|0.155711|0.114865|0.124702|0.136887|0.206307|0.171663|0.130893|0.121141|0.112704|0.095236|0.070808|0.056641|0.055530|0.066874|0.093546|0.121925|0.102285|0.081099|0.070882|0.064919|0.081786|0.064973|0.073457|0.066084|0.084696|0.106583|0.500000| |3.231443|3.598089|3.434359|4.786802|0.123304|4.674904|9.127515|5.034142|3.280705|2.642334|2.295956|1.987012|1.919799|2.107460|2.487892|2.745099|3.553608|0.063845|2.799366|2.484376|2.480110|2.356112|2.618976|9.094271|7.125225|9.480555|8.932949|17.716561|8.964393|5.683302|4.965366|5.666642|31.462366|31.690909|0.096698|0.076686|0.086715|0.087170|0.103682|0.096217|0.080074|0.094074|0.099942|0.087607|0.064119|0.050746|0.048228|0.055479|0.070622|0.089943|0.092271|0.074121|0.070183|0.060852|0.077714|0.062061|0.064146|0.058198|0.067160|0.084247|0.205906|0.500000| |2.401459|2.543771|2.540861|3.012472|0.079391|2.951306|5.737414|3.427759|2.350588|2.009733|1.797418|1.604368|1.567935|1.701719|1.938461|2.125658|2.865609|0.052712|2.253779|2.120285|2.182216|2.052926|2.172286|5.149986|4.109384|6.167476|5.617217|8.898288|17.757963|8.922710|5.639843|4.953910|27.406434|53.780255|0.072530|0.059604|0.064462|0.063277|0.077557|0.070977|0.062275|0.065507|0.071001|0.063591|0.050088|0.041566|0.040132|0.045590|0.055791|0.066632|0.071721|0.059271|0.060610|0.052569|0.068650|0.056422|0.057265|0.051134|0.056123|0.068377|0.115451|0.215399|0.500000| 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