Version2.0 2020-04-15T09:19:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1ccc2c(c1)c(c[nH]2)CCNC(=O)[C@@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(cc5Cl)Cl C39598911 RHF 6-31G(d) (6D,7F) COc1ccc2c(c1)c(c[nH]2)CCNC(=O)[C@@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(cc5Cl)Cl C01[X(C27H31Cl2N4O3)] 195 C1 610 COc1ccc2c(c1)c(CCNC(=O)[C@@H]1CN(CC31CC[NH2+]CC3)C(=O)c1ccc(cc1Cl)Cl)c[nH]2 COc1ccc2c(c1)c(CCNC(=O)[C@@H]1CN(CC31CC[NH2+]CC3)C(=O)c1ccc(cc1Cl)Cl)c[nH]2 COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(Cl)cc5Cl)c2c1 InChIKey=HVKFOKJHTDXFBI-QFIPXVFZSA-O InChI=1S/C27H30Cl2N4O3/c1-36-19-3-5-24-21(13-19)17(14-32-24)6-9-31-25(34)22-15-33(16-27(22)7-10-30-11-8-27)26(35)20-4-2-18(28)12-23(20)29/h2-5,12-14,22,30,32H,6-11,15-16H2,1H3,(H,31,34)/p+1/t22-/m0/s1 InChI=1/C27H30Cl2N4O3/c1-36-19-3-5-24-21(13-19)17(14-32-24)6-9-31-25(34)22-15-33(16-27(22)7-10-30-11-8-27)26(35)20-4-2-18(28)12-23(20)29/h2-5,12-14,22,30,32H,6-11,15-16H2,1H3,(H,31,34)/p+1/t22-/m0/s1/fC27H31Cl2N4O3/h30-31H/q+1 COc1ccc2c(c1)c(c[nH]2)CCNC(=O)[C@@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(cc5Cl)Cl C01[X(C27H31Cl2N4O3)] 195 C01 610 COc1ccc2c(c1)c(CCNC(=O)[C@@H]1CN(CC31CC[NH2+]CC3)C(=O)c1ccc(cc1Cl)Cl)c[nH]2 COc1ccc2c(c1)c(CCNC(=O)[C@@H]1CN(CC31CC[NH2]CC3)C(=O)c1ccc(cc1Cl)Cl)c[nH]2 COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CN(CC34CC[NH2]CC4)C(=O)c5ccc(Cl)cc5Cl)c2c1 InChIKey=JJSTXEZPFCYKHS-QFIPXVFZSA-N InChI=1S/C27H31Cl2N4O3/c1-36-19-3-5-24-21(13-19)17(14-32-24)6-9-31-25(34)22-15-33(16-27(22)7-10-30-11-8-27)26(35)20-4-2-18(28)12-23(20)29/h2-5,12-14,22,32H,6-11,15-16,30H2,1H3,(H,31,34)/t22-/m0/s1 InChI=1/C27H31Cl2N4O3/c1-36-19-3-5-24-21(13-19)17(14-32-24)6-9-31-25(34)22-15-33(16-27(22)7-10-30-11-8-27)26(35)20-4-2-18(28)12-23(20)29/h2-5,12-14,22,32H,6-11,15-16,30H2,1H3,(H,31,34)/t22-/m0/s1/f/h31H 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33.8841 14.4682 18.0989 513.7152 9.5989 69.7504 15.5203 56.9206 22.3584 32.9828 0.2896 8.3778 5.2212 8.7997 3.8979 36.4262 121.2590 20.2445 11.1682 0.7844 3.6773 433.0365 13.0418 20.4833 70.7583 109.5143 111.6762 34.2636 225.4796 414.4202 6.6032 34.2009 74.5116 27.3865 10.3948 24.2138 12.0077 36.0932 2.3761 56.6572 8.6209 4.6566 13.1187 9.0583 22.3029 51.7722 2.0164 5.4291 9.7380 6.9000 12.1557 3.2280 1.5188 13.2953 0.2596 0.9222 3.9675 68.3127 91.6021 41.5941 129.4711 0.7938 0.8261 0.8587 1.9701 4.3092 2.0586 0.7543 0.8017 1.3091 1.9748 0.6505 1.5085 2.0389 0.9736 0.6797 0.4538 1.6685 1.4969 1.2076 0.2817 1.4948 1.2666 1.0142 1.3243 0.4055 0.4931 0.9203 0.3651 2.1037 2.2624 0.7775 0.5258 1.1201 0.7276 2.3578 1.6796 5.0717 2.3895 5.0256 3.0825 1.6835 3.4387 1.2920 1.5889 1.3058 1.2751 1.0829 1.1336 0.7589 0.7772 1.8023 1.5584 1.4229 2.2008 5.8165 2.2000 3.2242 3.4958 8.2059 8.0481 3.3985 1.6121 2.1402 9.6305 2.8386 7.6602 1.5697 4.0288 2.2250 5.3991 9.7462 4.5040 1.4106 0.8347 3.4634 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12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 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 7670.6360 55126.7799 59720.0887 0.99999 0.00195 -0.00286 -0.00195 1.00000 -0.00033 0.00286 0.00034 1.00000 1 0.01129 0.00157 0.00145 0.23528 0.03274 0.03022 13.63 16.54 21.63 39.05 52.99 60.79 68.21 78.94 83.22 91.94 110.85 131.10 151.72 186.79 204.59 228.72 242.45 278.40 279.05 296.84 304.83 309.88 334.40 356.91 384.81 389.98 408.54 411.01 421.15 427.39 460.62 471.38 547.64 552.19 559.81 577.23 603.32 611.89 626.33 647.75 667.93 671.16 698.39 707.14 708.52 721.97 743.02 762.34 796.24 819.04 847.89 848.66 936.81 944.54 958.70 973.52 1034.60 1044.78 1060.35 1103.85 1145.35 1162.84 1178.70 1190.39 1207.51 1214.74 1232.86 1247.43 1260.71 1270.47 1280.33 1295.30 1308.60 1356.37 1368.96 1370.96 1384.52 1408.12 1442.76 1444.51 1457.17 1479.10 1491.84 1518.83 1525.99 1560.25 1580.35 1586.65 1599.15 1608.00 1623.47 1630.51 1635.22 1665.17 1672.27 1679.13 1691.84 1720.90 1732.43 1740.23 1764.94 1784.39 1797.32 1799.58 1837.22 1855.33 1859.54 1869.00 1885.94 1899.33 1910.41 1915.90 1927.52 1942.69 1946.57 1965.34 1981.41 1997.37 2015.23 2016.44 2036.53 2064.48 2084.07 2089.52 2092.77 2096.67 2099.34 2115.92 2146.48 2153.84 2168.38 2196.42 2203.46 2223.47 2230.21 2241.42 2243.94 2248.07 2259.69 2276.65 2279.56 2335.58 2344.43 2351.69 2360.50 2362.04 2370.47 2372.71 2375.91 2383.86 2387.90 2391.74 2397.08 2413.25 2426.94 2478.12 2514.76 2514.85 2577.17 2587.20 2626.49 2641.72 2724.79 2806.99 4592.99 4602.33 4613.01 4614.15 4666.09 4667.21 4669.96 4700.48 4702.25 4702.59 4709.87 4722.14 4737.68 4754.63 4757.29 4771.62 4779.60 4796.22 4798.67 4810.16 4847.45 4867.54 4876.28 4907.65 4912.74 4921.42 4936.49 5258.47 5363.15 5587.93 5643.75 0.597932 0.629247 0.630191 0.529951 -2401.066677 -2401.035363 -2401.034419 -2401.134658 3.362033D-04 MUNgauss RevisionA2.0 retrievium 15-Apr-2020 DUDE COc1ccc2c(c1)c(c[nH]2)CCNC(=O)[C@@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(cc5Cl)Cl C39598911 RHF 6-31G(d) (6D,10F) C1 529.177322 |X|Y|Z| 167.255564 59.594677 31.898247 68.252457 30 6 7 26 4 |36.858105| |13.629463|73.516695| |7.988514|24.919656|36.858105| |6.740252|13.922715|13.575102|36.858105| |4.529678|9.199712|7.871094|13.806547|36.858105| |3.814205|8.227309|6.905941|8.017507|13.741628|36.858105| |3.990843|9.398305|7.969785|6.874472|7.841737|13.606040|36.858105| |5.269150|14.592162|13.815999|7.880355|6.770869|7.879805|13.655156|36.858105| |3.088481|6.874783|5.011252|4.546575|5.271480|8.328352|13.159177|7.296363|36.858105| |2.745839|5.808906|4.174677|4.184776|5.304562|8.548664|8.513699|5.267579|14.091574|36.858105| |2.990676|6.198092|4.632100|5.138315|7.578946|13.850587|8.505156|5.355514|8.514805|13.937221|53.358707| |2.724022|5.449151|3.922691|4.519785|6.618381|9.002224|5.953201|4.266673|5.978188|9.059508|26.127295|0.500000| |2.766610|6.124279|4.088178|3.551162|3.805228|5.088522|7.244419|5.774991|12.695028|7.437378|7.015014|0.115017|36.858105| |2.702564|5.951395|3.815296|3.273476|3.392675|4.263188|5.743735|5.167600|7.573921|5.400833|5.702449|0.097194|12.424594|36.858105| |2.412426|5.193947|3.151485|2.707861|2.735949|3.257991|4.136801|4.017184|4.993767|3.928819|4.360641|0.077312|7.627126|13.036097|53.358707| |2.507122|5.421559|3.155574|2.643180|2.584026|2.978138|3.778424|3.950443|4.204894|3.323594|3.856176|0.068928|5.856423|7.775850|19.408987|36.858105| |2.921050|6.516021|3.697152|2.966930|2.812373|3.195256|4.166828|4.698368|4.329050|3.334130|3.976138|0.070490|5.640697|6.848689|11.586568|15.732947|73.516695| |2.139864|4.465263|2.544767|2.190788|2.144100|2.413234|2.913888|3.024255|3.204342|2.686122|3.176973|0.058158|4.175072|4.990004|10.655466|12.469504|14.187356|36.858105| |2.038781|4.231670|2.431852|2.114150|2.087813|2.361097|2.831843|2.889033|3.169324|2.682676|3.146109|0.057786|4.180740|4.606079|9.277709|9.070945|11.592783|17.493030|0.500000| |1.898354|3.881429|2.224294|1.962577|1.943026|2.174428|2.548866|2.586186|2.818829|2.450632|2.914183|0.054075|3.542146|4.351183|8.780040|7.312452|9.324720|12.397598|0.247496|36.858105| |1.746129|3.509130|1.975587|1.754457|1.722421|1.891882|2.178542|2.239738|2.350766|2.078352|2.523545|0.047327|2.837890|3.302702|5.977827|5.108267|7.442000|8.130417|0.190696|13.078186|53.358707| |1.812567|3.641919|2.017662|1.774143|1.720381|1.873946|2.167971|2.274291|2.298254|2.014465|2.467804|0.046201|2.753776|3.096017|5.445631|5.008843|7.833325|8.041387|0.199282|7.867820|17.857017|36.858105| |2.122927|4.363932|2.402443|2.060710|1.975976|2.164587|2.570856|2.759711|2.701229|2.297521|2.802821|0.051776|3.299853|3.775165|6.834634|7.310752|11.810873|12.299460|0.247905|7.835602|11.061333|12.353785|36.858105| |2.223791|4.572655|2.479534|2.108764|2.000417|2.173734|2.585635|2.827210|2.668671|2.262025|2.785048|0.051430|3.207794|3.424274|5.765521|5.925424|11.097489|7.477678|0.201213|5.013826|6.983534|7.407333|12.371481|36.858105| |2.166546|4.345063|2.292485|1.963583|1.838361|1.952636|2.273468|2.520820|2.283498|1.971425|2.483071|0.046296|2.624849|2.779759|4.419204|4.193669|8.143778|4.856645|0.128563|3.818624|5.634116|5.828255|7.416201|12.510742|36.858105| |2.353509|4.706450|2.425618|2.058369|1.898931|1.993877|2.319827|2.627492|2.279707|1.963600|2.502755|0.046617|2.569436|2.794931|4.343154|4.092078|8.293134|4.423011|0.109643|3.629744|5.233658|4.965209|6.484404|7.734070|12.671412|53.358707| |2.268364|4.436743|2.262440|1.940729|1.783311|1.849879|2.119992|2.398676|2.065173|1.801472|2.321140|0.043525|2.283118|2.452683|3.723112|3.369325|6.733432|3.592165|0.091260|3.076867|4.482115|4.121299|4.894097|5.692684|9.157986|25.694530|0.500000| |2.688575|5.470181|2.768497|2.300172|2.093512|2.193472|2.585013|3.004503|2.497251|2.121557|2.713611|0.050198|2.798520|3.036966|4.622750|4.403954|9.579402|4.411773|0.108806|3.522272|4.818421|4.339108|5.955946|7.197315|9.209281|25.633681|0.327220|0.500000| |2.199966|4.393205|2.305565|1.977605|1.844696|1.948447|2.258075|2.512979|2.248547|1.947610|2.469284|0.046079|2.551864|2.890780|4.601429|4.306868|8.225333|4.853614|0.113064|4.264055|6.363756|5.884895|7.408283|6.480326|7.648344|17.224224|0.254225|0.255598|36.858105| |2.259848|4.627800|2.495287|2.125718|2.008053|2.167017|2.561385|2.814393|2.611028|2.224714|2.764303|0.051111|3.073015|3.641312|6.194246|6.257770|11.293328|7.456686|0.152739|6.208831|8.588983|7.523968|12.299339|7.486137|6.469762|10.507811|0.157986|0.199518|12.516175|36.858105| |1.565649|3.103084|1.751770|1.580167|1.561022|1.704172|1.925859|1.958604|2.076367|1.876040|2.294715|0.043477|2.448367|2.811121|4.830892|3.843707|5.793628|5.246237|0.133596|7.856138|19.095297|7.552686|5.189711|3.811414|3.308322|4.261034|0.077465|0.080204|3.756289|4.569066|36.858105| |1.513414|2.994357|1.708083|1.554841|1.550414|1.699623|1.906534|1.911169|2.076413|1.897750|2.312862|0.043982|2.439148|2.824197|4.791739|3.600804|5.374112|4.588656|0.118220|7.060219|11.632980|5.302063|4.198097|3.214338|2.796392|3.663171|0.067291|0.070551|3.170099|3.840463|15.923382|73.516695| |1.445869|2.829902|1.581949|1.434743|1.410443|1.521542|1.700790|1.741404|1.807632|1.647656|2.042062|0.038945|2.086153|2.329338|3.840377|3.080127|4.873474|3.998977|0.105800|5.008062|10.548013|6.432137|4.329395|3.452168|3.196415|4.081459|0.076302|0.075085|3.546410|3.918484|12.620245|14.376762|36.858105| |1.338543|2.606708|1.463483|1.337693|1.322084|1.425729|1.581315|1.606030|1.688038|1.554300|1.927116|0.036942|1.938400|2.114499|3.430314|2.700492|4.299317|3.418222|0.095143|4.072993|7.570610|5.008898|3.583846|3.052278|2.838180|3.536834|0.067043|0.065707|2.922902|3.161357|7.677220|11.126172|13.706809|36.858105| |1.246272|2.404882|1.343141|1.233800|1.216294|1.300987|1.431291|1.458389|1.513499|1.402397|1.755120|0.033804|1.711947|1.844116|2.921542|2.297746|3.747866|2.806182|0.078304|3.180387|5.562067|3.970975|3.005439|2.677360|2.589546|3.243556|0.062850|0.060050|2.633248|2.727349|5.050984|7.800509|7.883126|13.789334|36.858105| |1.239916|2.379819|1.318482|1.210105|1.185578|1.259144|1.382634|1.420583|1.446029|1.338065|1.687516|0.032519|1.620525|1.752274|2.748059|2.180122|3.617178|2.620081|0.071570|2.921239|5.080410|3.743196|2.895841|2.593883|2.598483|3.328039|0.065498|0.060974|2.734830|2.733228|4.445795|6.820339|6.857470|7.992115|13.767667|36.858105| |1.320543|2.539179|1.399347|1.277370|1.245015|1.320257|1.456196|1.507253|1.514582|1.392458|1.758641|0.033780|1.698255|1.862446|2.934243|2.355282|3.922984|2.840718|0.075393|3.197903|5.709157|4.206651|3.229586|2.810849|2.850491|3.752868|0.073760|0.067960|3.209872|3.163153|4.978121|7.374410|7.877730|6.886883|7.915900|13.784487|36.858105| |1.431659|2.780187|1.537192|1.393862|1.359455|1.451656|1.615694|1.672393|1.690518|1.541685|1.932594|0.036925|1.920134|2.143365|3.453579|2.797484|4.572050|3.486208|0.090251|4.115138|7.970226|5.522461|3.987677|3.259316|3.195544|4.228337|0.080762|0.076492|3.776933|3.902042|7.443606|9.993986|13.746024|8.005512|6.899508|8.002104|13.772266|36.858105| |1.552619|3.016727|1.653199|1.489458|1.440404|1.530309|1.709304|1.791014|1.765927|1.598998|2.016695|0.038404|1.991472|2.270556|3.631024|2.976237|4.954253|3.587058|0.088279|4.183594|7.537705|5.237732|4.222668|3.346890|3.349030|4.777247|0.091163|0.086288|4.653571|4.695804|6.071493|8.758050|6.978523|4.756012|4.225571|4.793874|7.095803|10.897618|448.794386| |1.133227|2.154383|1.190251|1.099703|1.076578|1.135221|1.235616|1.269929|1.283548|1.196485|1.521236|0.029464|1.419385|1.515734|2.329462|1.834212|3.092448|2.137274|0.058821|2.313180|3.809860|2.860742|2.346214|2.181005|2.232865|2.880188|0.057868|0.053193|2.302178|2.247376|3.165654|5.081214|4.223090|4.783528|7.048344|10.992776|7.075364|4.792459|28.515142|448.794386| |17.632515|16.999247|5.862839|4.906816|3.623698|3.195701|3.411128|4.418949|2.753660|2.442778|3.536015|0.066125|2.551179|2.529155|3.154130|2.455437|5.118198|2.128215|0.056127|1.884779|2.387924|1.839791|2.156242|2.278559|2.267141|3.403990|0.067788|0.079894|2.308759|2.320800|1.571600|2.682665|1.461725|1.350112|1.261820|1.262351|1.348887|1.458092|12.757419|9.282846|0.500000| |17.556797|16.428122|7.027106|6.755272|4.609345|3.773536|3.808010|4.781619|2.971624|2.695046|4.054272|0.076295|2.633862|2.505877|3.050863|2.313585|4.725495|1.995619|0.053508|1.773038|2.227647|1.700915|1.972418|2.084658|2.030144|2.945509|0.058160|0.067900|2.010507|2.062207|1.474129|2.536828|1.367006|1.275183|1.191038|1.181845|1.250836|1.349373|11.627088|8.709473|0.300263|0.500000| |17.555738|16.425742|6.995819|6.745302|4.597055|3.758949|3.790143|4.756089|2.957882|2.683627|4.039594|0.075972|2.623188|2.607294|3.145439|2.365513|4.812226|2.026316|0.053363|1.827831|2.286068|1.724176|1.999479|2.056023|2.000891|2.971240|0.058544|0.068453|2.082857|2.146492|1.517738|2.625141|1.400578|1.295334|1.206797|1.202381|1.282201|1.389593|12.149100|8.832611|0.300314|0.299046|0.500000| |7.530199|12.518707|8.835343|17.769564|9.010995|5.696464|4.956838|5.622483|3.622525|3.426374|5.627840|0.106313|2.962166|2.783458|3.226810|2.338723|4.641674|1.980959|0.053117|1.790432|2.206564|1.644486|1.891455|1.940823|1.836970|2.634422|0.051260|0.059807|1.856207|1.963360|1.470298|2.569531|1.346594|1.258074|1.167439|1.149925|1.213525|1.316318|11.305258|8.438826|0.146868|0.226018|0.227264|0.500000| |3.926376|7.426835|5.612463|8.931821|17.713848|8.847819|5.586804|4.898563|4.292524|4.607250|9.085903|0.186074|3.231774|2.917113|3.274957|2.269156|4.323800|1.922342|0.052210|1.765646|2.148090|1.571688|1.780413|1.798422|1.665868|2.336376|0.045086|0.052083|1.673296|1.807419|1.444218|2.559907|1.312383|1.236074|1.142191|1.114008|1.166241|1.266930|10.739781|8.161963|0.089234|0.113789|0.113621|0.217545|0.500000| |4.873368|13.479495|8.980328|5.627810|4.899642|5.595804|8.802637|17.724296|6.436154|4.551503|5.887785|0.098736|6.078050|5.721099|6.302379|4.808996|11.020395|3.535961|0.092589|2.916540|3.415390|2.581530|3.237259|3.349643|2.936828|4.188794|0.076664|0.099952|2.910815|3.308160|2.153078|3.692455|1.903802|1.741825|1.573487|1.533525|1.635384|1.827410|15.787914|10.929336|0.121217|0.120218|0.119601|0.123994|0.106616|0.500000| |2.378505|4.913433|3.381328|3.405552|4.180301|5.885412|5.786996|4.094457|8.694779|17.776719|12.235285|0.213130|6.423318|4.874286|5.077944|3.108951|5.378472|2.584351|0.072547|2.404776|2.777787|1.957969|2.193488|2.143449|1.865453|2.506483|0.047017|0.054633|1.838267|2.100985|1.861647|3.379428|1.633355|1.552248|1.399107|1.327244|1.373247|1.518174|12.520697|9.531161|0.059687|0.065108|0.064835|0.080409|0.106415|0.102961|0.500000| |2.406351|5.152097|3.368317|3.046371|3.319921|4.331036|5.462334|4.413108|8.923471|7.009646|6.430237|0.109986|17.532760|8.845569|9.259505|5.122572|8.251628|3.972994|0.114946|3.485134|3.806812|2.677026|3.100244|2.998805|2.453789|3.211147|0.058585|0.070043|2.354720|2.818507|2.448206|4.387685|2.082539|1.960591|1.726880|1.618138|1.679162|1.893505|15.492942|11.378506|0.062133|0.064475|0.063781|0.072246|0.081001|0.126157|0.194800|0.500000| |2.889983|6.487885|4.211180|3.526853|3.629516|4.629331|6.650022|6.004203|8.952082|5.760551|6.034132|0.101183|17.545667|8.894765|9.745818|6.413478|11.760108|4.514025|0.128657|3.596958|3.986905|2.936913|3.615838|3.671286|2.944925|3.856937|0.069369|0.086683|2.738467|3.283911|2.482808|4.307574|2.134194|1.984726|1.756713|1.664750|1.743854|1.968088|16.327510|11.706293|0.074780|0.076694|0.074360|0.082225|0.085308|0.190491|0.139336|0.303214|0.500000| |3.087868|6.997925|4.479111|3.688106|3.695485|4.540386|6.347024|6.237610|7.069719|4.991021|5.676935|0.096240|8.821170|17.658434|12.561575|7.310654|13.382516|4.660190|0.115235|4.026229|4.296424|3.017217|3.760982|3.436496|2.855117|4.039010|0.072324|0.091522|3.070320|3.839716|2.683591|4.735851|2.254425|2.027074|1.783250|1.716365|1.841783|2.114726|18.384501|11.969869|0.079949|0.077694|0.082965|0.086244|0.086527|0.199563|0.119703|0.173723|0.207892|0.500000| |2.475415|5.300625|3.410190|3.056014|3.251461|4.074685|5.064188|4.375258|6.715774|5.457960|5.730516|0.099596|8.808027|17.601370|12.564320|5.823877|9.008819|4.256627|0.109841|4.044921|4.214748|2.822515|3.292750|2.944268|2.450517|3.369096|0.061174|0.073573|2.602071|3.223873|2.720820|4.990998|2.250062|2.051152|1.790231|1.698253|1.800452|2.067387|17.554749|11.820098|0.064186|0.064058|0.067600|0.073005|0.079342|0.126586|0.143832|0.215838|0.174158|0.303325|0.500000| |2.146979|4.517794|2.733891|2.412950|2.468889|2.917970|3.550309|3.373286|4.333145|3.624958|4.019140|0.072605|6.268896|8.979600|26.071038|9.436868|10.875080|7.475661|0.191663|7.250840|6.379222|4.032460|4.698950|3.880394|3.007998|3.959818|0.070058|0.083896|3.123708|4.142654|3.870041|7.046310|2.993866|2.693452|2.261030|2.096231|2.220190|2.627814|21.705699|14.159713|0.057443|0.055916|0.057528|0.059372|0.061350|0.104273|0.099493|0.176454|0.159347|0.182218|0.228290|0.500000| |1.947676|3.981396|2.283038|2.016257|1.993815|2.225505|2.601938|2.644921|2.851078|2.482977|2.971844|0.055126|3.511965|4.546592|8.855307|6.906923|9.149188|8.688168|0.174651|17.577054|12.355764|6.079057|6.437992|4.316521|3.471802|4.751422|0.082985|0.095504|4.243654|6.240170|6.779820|11.870800|4.514983|3.622874|2.907430|2.739088|3.055598|3.922312|34.419866|17.631510|0.053627|0.050117|0.052577|0.051106|0.050310|0.082442|0.067330|0.094195|0.096396|0.120168|0.120792|0.197426|0.500000| |1.789270|3.641901|2.117062|1.893830|1.902361|2.146779|2.491259|2.465061|2.822227|2.495624|2.931789|0.054658|3.574497|4.290193|8.494985|6.153644|7.957601|8.670567|0.223707|17.613943|12.371356|6.003157|5.695120|4.182844|3.259041|4.154294|0.073552|0.082939|3.444206|4.606588|7.192512|13.215572|4.667432|4.047324|3.135594|2.800929|2.969874|3.715180|28.870032|17.955426|0.048980|0.046806|0.047996|0.047938|0.048288|0.075838|0.069302|0.101671|0.098762|0.105625|0.114521|0.220641|0.303144|0.500000| |1.743795|3.460711|1.895389|1.674083|1.613603|1.736558|1.987075|2.100249|2.073829|1.834347|2.277180|0.042867|2.423379|2.708160|4.563355|4.080346|6.716163|5.709645|0.142547|5.797412|12.350913|17.637698|8.637553|6.241358|5.872109|7.115809|0.124375|0.120680|6.565537|7.115870|6.825450|8.556687|6.929238|5.154967|4.270729|4.258627|5.066416|6.786521|52.401513|25.657939|0.049577|0.045404|0.046205|0.043468|0.041141|0.065760|0.049439|0.065142|0.071382|0.074659|0.069382|0.092982|0.139331|0.129378|0.500000| |1.730636|3.464051|1.928165|1.706055|1.662611|1.813367|2.087201|2.171099|2.227621|1.966232|2.403441|0.045138|2.671017|2.901491|5.022308|4.484712|7.067176|6.864321|0.202397|6.380142|12.301333|17.513070|8.759669|7.141453|5.576163|5.964178|0.103983|0.107716|4.699879|5.503745|6.431940|8.466791|5.946984|5.215911|4.163385|3.769722|3.990905|4.907513|34.384937|23.367551|0.048688|0.045538|0.045554|0.043967|0.042327|0.067972|0.053428|0.073317|0.079887|0.077328|0.073537|0.104646|0.135809|0.152872|0.302494|0.500000| |2.047474|4.171315|2.293288|1.980449|1.900999|2.073644|2.440727|2.610568|2.560238|2.198601|2.692715|0.049986|3.089118|3.193040|5.352018|5.157234|9.091463|6.690996|0.211416|4.718764|6.698277|7.029398|8.781739|17.563299|8.987907|7.647052|0.127068|0.145284|4.888928|5.473758|3.758943|5.647454|3.460705|3.176531|2.787412|2.642459|2.784080|3.178526|24.875364|17.873684|0.057884|0.054033|0.052655|0.050704|0.047777|0.084184|0.058540|0.082423|0.098419|0.086529|0.077177|0.103431|0.109175|0.115237|0.160490|0.224618|0.500000| |2.510255|5.285575|2.860655|2.379712|2.238948|2.446820|2.977214|3.325587|3.042053|2.517266|3.091346|0.056481|3.688173|3.864431|6.357472|6.785005|14.489372|7.085339|0.190559|4.594026|5.892775|5.489889|8.864362|17.612199|8.932893|9.460434|0.145709|0.211182|5.615784|6.611876|3.317988|5.167421|2.962951|2.652339|2.345075|2.271630|2.445907|2.804107|23.491545|15.600013|0.071168|0.065151|0.063634|0.060229|0.055253|0.113030|0.065299|0.093170|0.121869|0.109308|0.089416|0.113515|0.113717|0.109051|0.131180|0.146611|0.303681|0.500000| |1.936579|3.826388|2.033927|1.770734|1.670947|1.770450|2.032316|2.217556|2.056563|1.802701|2.274286|0.042718|2.350312|2.495801|3.972871|3.639269|6.738750|4.380539|0.117463|3.685318|5.788092|6.228624|6.583342|8.700046|17.615043|12.448275|0.221838|0.181059|7.094301|5.750616|3.486765|5.132261|3.527522|3.136056|2.901190|2.951696|3.253535|3.599288|29.479155|20.233938|0.056180|0.050664|0.050180|0.046286|0.042418|0.070386|0.047832|0.061982|0.071954|0.070460|0.062280|0.077020|0.092526|0.088093|0.191910|0.169800|0.212678|0.173085|0.500000| |2.210800|4.402735|2.302590|1.973479|1.837529|1.937582|2.244284|2.503850|2.230648|1.932611|2.452812|0.045821|2.525680|2.598562|4.009882|3.694554|7.323347|4.051781|0.111406|3.227771|4.635421|4.485913|5.434633|8.784620|17.627078|12.350722|0.224306|0.221316|5.594993|4.859347|2.817081|4.335559|2.745441|2.508087|2.328875|2.331998|2.507798|2.738414|22.706904|16.493058|0.064667|0.058072|0.056114|0.051512|0.046306|0.080621|0.050662|0.065610|0.079543|0.074184|0.063634|0.075664|0.082226|0.079002|0.124176|0.125115|0.211878|0.217384|0.301095|0.500000| |1.959987|3.858568|2.042775|1.780709|1.675465|1.767163|2.021210|2.212088|2.030995|1.784443|2.263534|0.042544|2.297860|2.572002|4.097608|3.707671|6.779574|4.372892|0.105433|4.064174|6.552951|6.281305|6.564545|5.746743|7.083375|12.438346|0.221907|0.181001|17.633396|8.695994|4.001923|5.844812|3.996222|3.245102|2.958937|3.148240|3.800789|4.464048|44.647545|21.012323|0.056987|0.050283|0.051800|0.046675|0.042570|0.069922|0.047237|0.059915|0.068023|0.074414|0.065343|0.079394|0.110218|0.092587|0.223906|0.139438|0.129671|0.131640|0.217731|0.145299|0.500000| |2.273005|4.491192|2.326519|1.998693|1.849121|1.931684|2.220823|2.492665|2.177746|1.896142|2.431659|0.045486|2.420096|2.756879|4.246324|3.828620|7.430180|4.050293|0.095222|3.697273|5.336797|4.528428|5.431194|4.868440|5.597629|12.351142|0.224265|0.221484|17.628296|8.799648|3.303463|5.120868|3.132513|2.606726|2.381772|2.501110|2.943132|3.395950|34.913323|17.227693|0.066862|0.057117|0.060272|0.052474|0.046676|0.079520|0.049510|0.061644|0.071226|0.082933|0.069713|0.079793|0.106513|0.084895|0.138314|0.103999|0.107599|0.126164|0.145426|0.126495|0.301453|0.500000| |2.566781|5.376007|2.884667|2.404881|2.248954|2.433769|2.932653|3.298027|2.944618|2.458028|3.057072|0.055967|3.461358|4.213575|6.996779|7.319518|14.887843|7.034512|0.144493|5.568590|6.870921|5.532923|8.794172|6.582372|5.594328|9.438369|0.145599|0.210355|8.961257|17.634189|3.840493|6.046387|3.275403|2.729803|2.381652|2.373843|2.694898|3.232100|30.740823|16.015813|0.073002|0.064142|0.067545|0.061162|0.055589|0.110573|0.063524|0.085531|0.102987|0.129259|0.101008|0.122840|0.163475|0.119537|0.141842|0.123184|0.135802|0.187806|0.131488|0.125614|0.173406|0.218993|0.500000| |2.092759|4.235945|2.310529|2.001212|1.909135|2.060362|2.402011|2.588625|2.471098|2.137959|2.656983|0.049421|2.886900|3.494704|5.945272|5.519054|9.246867|6.656306|0.137241|6.804567|9.756199|7.231283|8.756503|5.482016|4.895063|7.651334|0.127208|0.145112|9.019899|17.592694|5.323929|7.943921|4.406993|3.401292|2.891128|2.914759|3.459267|4.446576|46.559984|18.904669|0.059348|0.053122|0.056003|0.051519|0.048078|0.082584|0.056592|0.074545|0.083240|0.101384|0.088848|0.114677|0.209412|0.136769|0.197847|0.143046|0.123319|0.136285|0.130203|0.107636|0.213858|0.212223|0.303388|0.500000| |1.330572|2.598916|1.470693|1.348017|1.340970|1.454864|1.613128|1.622997|1.740715|1.608661|1.981003|0.037995|2.012674|2.180243|3.552577|2.749600|4.315657|3.480730|0.099749|4.177914|7.341268|4.703799|3.475226|2.986974|2.702850|3.332828|0.062809|0.062816|2.703660|2.988481|7.206784|11.458713|8.942065|17.732476|8.955903|5.674757|4.960839|5.681032|31.480541|31.665556|0.037089|0.035324|0.035749|0.035108|0.034844|0.048748|0.044931|0.057251|0.057069|0.057271|0.058976|0.078808|0.100994|0.121547|0.125606|0.141490|0.087951|0.073016|0.081296|0.067081|0.081245|0.067088|0.073012|0.088180|0.500000| |1.181552|2.272934|1.272997|1.175231|1.162312|1.242449|1.359897|1.379190|1.440444|1.343163|1.682888|0.032522|1.622001|1.726846|2.708075|2.108385|3.451294|2.532412|0.071833|2.819284|4.716708|3.393539|2.664396|2.433996|2.352497|2.929351|0.057069|0.054735|2.327677|2.406384|4.124161|6.664235|5.621461|8.910080|17.758102|8.920435|5.641662|4.968993|27.403030|53.742184|0.033172|0.031505|0.031779|0.030932|0.030414|0.041124|0.037371|0.045731|0.046208|0.046207|0.046692|0.058316|0.071615|0.078710|0.098712|0.101078|0.071263|0.059938|0.072544|0.059776|0.071574|0.058874|0.059335|0.069895|0.215298|0.500000| |1.300279|2.484750|1.361380|1.244463|1.208021|1.272959|1.398745|1.455003|1.442573|1.328246|1.688926|0.032494|1.602077|1.754551|2.727433|2.189518|3.703641|2.578794|0.067975|2.843062|4.881048|3.661886|2.954691|2.617820|2.725105|3.676661|0.073648|0.066497|3.146110|2.994535|4.058979|6.212694|5.624540|4.963705|5.637857|8.910962|17.771423|8.914346|54.484353|53.917540|0.037050|0.034174|0.035137|0.032982|0.031486|0.043761|0.036272|0.043762|0.045687|0.048632|0.047136|0.056762|0.076928|0.072948|0.122900|0.095522|0.071119|0.063931|0.086280|0.067140|0.104281|0.081971|0.071561|0.090638|0.107738|0.124123|0.500000| 2399.557317 -13832.427847 5185.406784 -257.831262 -6505.295008 4103.630312 -2401.664696 2.000878 40D92C0000000000 456381D062E82D59 44E1E62338CDB253 42D50C45760D6FFC BD3E300000000001 44C0A0B59681DA56