Version2.0 2020-08-03T03:52:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 08-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[NH+](C)[C@H](CNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)c3csc(c3OC)Cl)c4ccc(cc4)OC C39663884 RHF 6-31G(d) (6D,7F) C[NH+](C)[C@H](CNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)c3csc(c3OC)Cl)c4ccc(cc4)OC C01[X(C26H37Cl1N4O4S1)] 213 C1 622 COc1ccc(cc1)[C@H]([NH+](C)C)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1csc(c1OC)Cl COc1ccc(cc1)[C@H]([NH+](C)C)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1csc(c1OC)Cl COc1ccc(cc1)[C@@H](CNC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4csc(Cl)c4OC)[NH+](C)C InChIKey=UEJRONMEYHSBBX-LEWJYISDSA-P InChI=1S/C26H35ClN4O4S/c1-30(2)21(17-5-7-18(34-3)8-6-17)13-29-24(32)20-14-31(16-26(20)9-11-28-12-10-26)25(33)19-15-36-23(27)22(19)35-4/h5-8,15,20-21,28H,9-14,16H2,1-4H3,(H,29,32)/p+2/t20-,21+/m0/s1 InChI=1/C26H35ClN4O4S/c1-30(2)21(17-5-7-18(34-3)8-6-17)13-29-24(32)20-14-31(16-26(20)9-11-28-12-10-26)25(33)19-15-36-23(27)22(19)35-4/h5-8,15,20-21,28H,9-14,16H2,1-4H3,(H,29,32)/p+2/t20-,21+/m0/s1/fC26H37ClN4O4S/h28-30H/q+2 C[NH+](C)[C@H](CNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)c3csc(c3OC)Cl)c4ccc(cc4)OC C01[X(C26H37Cl1N4O4S1)] 213 C01 622 COc1ccc(cc1)[C@H]([NH+](C)C)CNC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1csc(c1OC)Cl CO[C]1=C(Cl)S[CH]=[C]1C(=O)N1C[C@H](C2(C1)CC[NH2]CC2)C(=O)NC[C@H]([C]1[CH][CH][C]([CH][CH]1)OC)[NH](C)C CO[C]1[CH][CH][C]([CH][CH]1)[C@@H](CNC(=O)[C@@H]2CN(CC23CC[NH2]CC3)C(=O)c4csc(Cl)c4OC)[NH](C)C InChIKey=YAOTXLOHJHAFHR-LEWJYISDSA-N InChI=1S/C26H37ClN4O4S/c1-30(2)21(17-5-7-18(34-3)8-6-17)13-29-24(32)20-14-31(16-26(20)9-11-28-12-10-26)25(33)19-15-36-23(27)22(19)35-4/h5-8,15,20-21,30H,9-14,16,28H2,1-4H3,(H,29,32)/t20-,21+/m0/s1 InChI=1/C26H37ClN4O4S/c1-30(2)21(17-5-7-18(34-3)8-6-17)13-29-24(32)20-14-31(16-26(20)9-11-28-12-10-26)25(33)19-15-36-23(27)22(19)35-4/h5-8,15,20-21,30H,9-14,16,28H2,1-4H3,(H,29,32)/t20-,21+/m0/s1/f/h29H 4642.7580181987 -2379.8611922 1-A 21779.2624 142 480 622 |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|A|A|A|A|A|A| -104.98112 -92.13999 -20.74694 -20.74291 -20.73116 -20.71496 -15.93551 -15.89690 -15.78788 -15.77552 -11.55436 -11.54104 -11.52650 -11.52392 -11.49114 -11.47944 -11.47501 -11.47223 -11.47196 -11.47098 -11.46822 -11.46762 -11.46491 -11.46477 -11.45875 -11.45518 -11.45436 -11.44102 -11.43326 -11.42363 -11.41930 -11.41822 -11.41763 -11.41303 -11.39914 -11.39272 -10.71391 -9.14985 -8.18343 -8.17974 -8.17963 -6.83221 -6.83125 -6.82941 -1.60178 -1.58402 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|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|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| 14.7029 20.5448 27.2203 34.1662 37.9561 44.7354 51.1810 58.9719 64.0518 70.9245 74.2950 93.0966 101.4191 106.9376 116.2518 129.9772 136.4817 146.8608 161.0860 171.4167 189.1414 200.7705 201.0918 227.6143 233.6916 242.5479 248.9753 256.2443 257.2745 268.6910 273.3898 282.3020 293.7430 310.6396 339.8374 345.0175 370.2843 377.0920 390.5981 409.2702 420.7340 421.8689 429.6568 432.4561 464.4547 468.0485 471.4005 485.1498 495.7247 514.5984 549.0456 551.0308 558.7493 566.7334 572.9919 582.2819 602.6854 624.0562 627.6973 680.4525 694.7782 704.5872 750.9005 762.9683 795.3737 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14.00307 1.00783 12.00000 12.00000 1.00783 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 31.97207 12.00000 12.00000 15.99491 12.00000 34.96885 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 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 1.00783 1.00783 15531.0537 27909.0115 35955.5054 0.99892 0.04635 0.00385 -0.04627 0.99878 -0.01738 -0.00465 0.01718 0.99984 1 0.00558 0.00310 0.00241 0.11620 0.06467 0.05019 21.15 29.56 39.16 49.16 54.61 64.36 73.64 84.85 92.16 102.04 106.89 133.95 145.92 153.86 167.26 187.01 196.37 211.30 231.77 246.63 272.13 288.86 289.33 327.49 336.23 348.97 358.22 368.68 370.16 386.59 393.35 406.17 422.63 446.94 488.95 496.40 532.76 542.55 561.98 588.85 605.34 606.98 618.18 622.21 668.25 673.42 678.24 698.02 713.24 740.39 789.95 792.81 803.92 815.40 824.41 837.77 867.13 897.88 903.12 979.02 999.63 1013.74 1080.38 1097.74 1144.37 1164.83 1167.47 1213.55 1238.50 1242.05 1252.12 1274.84 1287.80 1310.44 1331.40 1340.15 1350.83 1355.04 1361.98 1378.28 1389.06 1393.78 1420.95 1450.29 1455.51 1500.98 1506.52 1537.21 1544.62 1549.92 1557.11 1574.50 1582.41 1598.84 1620.04 1634.86 1636.28 1642.40 1653.98 1668.09 1672.37 1675.29 1705.43 1733.67 1765.59 1766.44 1796.85 1809.48 1841.34 1845.59 1857.29 1857.41 1873.39 1875.79 1880.23 1901.44 1902.84 1904.10 1919.44 1934.99 1939.55 1955.19 1963.69 1964.39 1991.60 2017.04 2032.19 2085.48 2092.90 2093.93 2099.08 2101.79 2133.72 2151.46 2156.85 2170.27 2182.16 2203.55 2214.80 2226.42 2234.44 2243.15 2245.58 2248.31 2263.41 2279.41 2282.78 2291.40 2303.66 2332.32 2340.26 2344.43 2345.53 2345.97 2358.89 2359.29 2364.36 2366.46 2367.70 2375.13 2376.32 2377.45 2377.89 2385.18 2391.38 2398.96 2404.46 2412.86 2447.61 2460.49 2536.57 2554.49 2599.57 2631.64 2755.92 2770.97 4605.87 4626.83 4640.80 4659.70 4666.49 4675.92 4696.37 4701.25 4709.21 4712.23 4715.50 4724.56 4742.92 4744.54 4781.18 4783.39 4793.30 4801.10 4806.38 4809.17 4809.80 4817.93 4837.05 4837.61 4846.86 4851.67 4854.84 4871.54 4878.27 4894.01 4901.08 4917.19 4947.01 5264.65 5328.84 5352.52 5561.01 0.672813 0.706563 0.707507 0.604479 -2379.188379 -2379.154629 -2379.153685 -2379.256713 3.455576D-04 MUNgauss RevisionA2.0 retrievium 03-Aug-2020 DUDE C[NH+](C)[C@H](CNC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)c3csc(c3OC)Cl)c4ccc(cc4)OC C39663884 RHF 6-31G(d) (6D,10F) C1 536.222405 |X|Y|Z| 80.746177 114.094529 47.345130 75.838087 26 6 7 16 22 3 1 |36.858105| |12.697466|53.358707| |9.361454|25.720350|0.500000| |7.809500|17.335153|0.258618|36.858105| |7.601762|16.887576|0.254414|7.512778|36.858105| |7.179526|12.491911|0.182111|6.999819|17.657960|0.500000| |4.908080|10.156931|0.189793|6.387483|12.332476|0.247310|36.858105| |3.864531|6.825845|0.127868|4.494998|7.810377|0.202774|13.159279|53.358707| |3.420452|5.720870|0.104453|4.095814|5.830353|0.176027|7.821081|19.161658|36.858105| |3.425684|5.752649|0.103194|4.494059|5.362223|0.167204|6.913586|11.577631|15.817756|73.516695| |2.863876|4.473908|0.083270|3.146532|4.332923|0.132040|5.037561|10.631928|12.473181|14.136932|36.858105| |2.661914|4.151442|0.079319|2.863618|3.987458|0.115303|4.711405|9.983770|8.831849|10.566765|17.562071|0.500000| |3.053818|4.538116|0.082719|3.105590|4.407894|0.143387|4.475828|8.317688|7.779710|10.695434|12.363895|0.240891|36.858105| |3.003278|4.382536|0.078507|3.150707|4.008507|0.135940|3.986105|6.680206|6.584796|11.096462|8.158000|0.160392|13.118135|53.358707| |2.554318|3.786988|0.069328|2.821275|3.332722|0.107006|3.528765|5.889193|6.063130|11.055105|7.815904|0.156449|8.017614|17.697767|36.858105| |2.440261|3.721006|0.069623|2.731229|3.347289|0.102404|3.787515|6.820699|7.339735|11.792032|12.245747|0.239895|7.965221|10.728544|12.167585|36.858105| |2.104560|3.135370|0.059709|2.263559|2.763999|0.082626|3.043390|5.291846|4.889892|7.735551|7.575803|0.203117|6.221400|7.729019|7.399566|12.277864|36.858105| |1.845817|2.717834|0.052027|1.998394|2.313589|0.068856|2.518807|4.140594|3.703921|6.295512|4.870983|0.129698|4.323717|5.980961|5.943087|7.378112|12.490463|36.858105| |1.781254|2.656479|0.051181|1.988931|2.228626|0.065474|2.485993|4.016168|3.589993|6.334787|4.348795|0.116335|3.632606|5.080430|5.028535|6.390288|7.675589|12.671163|53.358707| |1.645380|2.431770|0.046984|1.829538|2.008212|0.058897|2.211895|3.486624|3.044193|5.454378|3.556538|0.095314|3.103830|4.413603|4.232735|4.876747|5.668768|9.174090|25.659742|0.500000| |1.739939|2.610673|0.050750|1.942094|2.194220|0.063518|2.480419|4.026160|3.512732|6.059656|4.221386|0.118743|3.430532|4.592143|4.288314|5.710232|6.991416|9.190105|25.660003|0.328607|0.500000| |1.955654|2.958881|0.056533|2.264553|2.477359|0.073346|2.813460|4.518277|4.230316|7.949750|4.810784|0.120778|3.862511|5.660793|5.946695|7.430161|6.530447|7.624797|17.226451|0.254393|0.255360|36.858105| |2.267674|3.515945|0.066713|2.668163|3.050277|0.090491|3.603136|6.143667|6.314290|11.606763|7.320285|0.173007|5.022428|7.033787|7.335144|12.345372|7.651008|6.503772|10.439011|0.157346|0.194697|12.502245|36.858105| |3.543557|5.050851|0.087396|3.686917|4.505382|0.164654|4.167170|6.364578|5.827443|10.810224|5.763698|0.122965|7.851344|18.878298|7.653981|5.322553|4.058220|3.394784|4.147797|0.075779|0.077512|3.457814|4.147008|36.858105| |4.467705|6.232305|0.104008|4.315264|5.766164|0.235348|4.783595|6.938824|5.723900|10.127522|5.220705|0.117111|7.024140|11.504928|5.391537|4.385708|3.485890|2.905964|3.604106|0.066218|0.068986|2.957210|3.562102|15.843049|73.516695| |3.137922|4.364848|0.076525|3.363176|3.579103|0.123584|3.362470|4.868360|4.330353|8.654082|4.231956|0.095207|5.037982|10.611135|6.435505|4.365947|3.477757|3.139576|3.931566|0.073824|0.072305|3.321963|3.712669|12.785491|14.437747|36.858105| |2.629061|3.586790|0.064450|2.726612|2.895365|0.095800|2.743920|4.002614|3.474917|6.679931|3.601015|0.083897|4.294047|8.523818|5.698600|3.893317|3.325609|3.136919|3.849458|0.073797|0.069956|3.145241|3.321961|7.640995|9.929595|14.121659|36.858105| |2.371101|3.191851|0.058009|2.489568|2.462068|0.079121|2.340250|3.298450|2.775341|5.423363|2.782760|0.067026|3.119851|5.528564|3.969139|3.003023|2.637746|2.586522|3.299379|0.064924|0.060467|2.695752|2.744317|4.777905|7.131146|7.450736|11.112405|388.023441| |2.766264|3.753267|0.067093|3.055931|2.820627|0.091679|2.666812|3.638302|3.054050|6.227843|2.885824|0.068884|3.143500|5.498714|3.883781|3.022767|2.548945|2.441856|3.206175|0.062360|0.059522|2.706157|2.843130|5.121135|7.961409|8.248455|7.767350|78.345128|36.858105| |3.271577|4.538945|0.079095|3.720138|3.495057|0.118317|3.279364|4.477009|3.845450|8.081731|3.511976|0.081468|3.861198|7.024714|4.713295|3.581224|2.886992|2.670288|3.489263|0.066445|0.064975|2.997378|3.299174|7.344212|11.082809|13.175599|8.203579|52.724084|14.142015|36.858105| |3.843371|5.519181|0.093914|4.881655|4.090520|0.138683|3.836572|4.958230|4.163712|9.162169|3.522692|0.082299|3.699033|6.242765|4.191850|3.442225|2.734063|2.492244|3.330838|0.063029|0.063129|2.896462|3.282647|6.291617|10.835002|7.753502|5.301063|34.885714|7.949652|14.120984|73.516695| |3.316107|5.006561|0.088279|4.634513|3.682058|0.117144|3.743518|4.825046|4.114028|9.610296|3.408819|0.080439|3.338781|5.455973|4.004336|3.441525|2.708511|2.513990|3.484446|0.066145|0.066157|3.132018|3.517548|4.862417|8.106118|5.632228|4.291668|29.416312|6.140358|8.132781|23.870673|36.858105| |2.538582|3.418271|0.062168|2.853911|2.462271|0.077250|2.343093|3.110835|2.532170|5.139023|2.358353|0.057794|2.488364|4.082752|2.945929|2.448085|2.111558|2.052370|2.757398|0.054346|0.051878|2.311939|2.389777|3.590247|5.960780|4.791857|4.612862|45.333363|11.125195|6.952073|10.694819|5.438484|448.794386| |6.479346|10.356549|0.197624|4.941705|12.586660|0.247798|7.488549|8.590763|4.692639|7.242436|3.939846|0.106488|4.176781|4.881541|2.963447|3.025279|2.626109|2.188819|2.822319|0.052083|0.057201|2.233065|2.699793|3.844617|8.587328|3.064891|2.591841|15.682292|2.428348|2.902200|5.699746|2.888240|17.119592|36.858105| |5.553943|7.421727|0.137226|3.971994|7.558091|0.204782|5.213267|6.939293|4.214708|6.499006|3.866012|0.103989|4.495405|5.178722|3.022596|3.003083|2.669908|2.219583|2.793972|0.051719|0.056189|2.174116|2.588360|4.082551|9.356524|3.194291|2.749281|16.352241|2.466157|2.922954|5.503639|2.709354|17.103794|13.623101|36.858105| |4.276546|5.561001|0.109180|3.146920|5.021989|0.133729|3.966301|5.430313|3.387983|5.259619|3.275749|0.091446|3.759397|4.326086|2.608713|2.625333|2.432235|2.046752|2.564553|0.047814|0.051937|1.954504|2.279630|3.287695|7.048728|2.677636|2.392967|14.474041|2.132638|2.452357|4.524681|2.269199|15.016401|7.888991|13.855752|36.858105| |3.807149|5.120425|0.106557|2.918247|4.411898|0.110684|3.717355|4.976736|3.037553|4.738842|2.908289|0.083408|3.147997|3.651163|2.290527|2.361585|2.213901|1.882915|2.393061|0.044769|0.049010|1.815744|2.105802|2.730560|5.649054|2.286963|2.060922|12.721971|1.880469|2.135751|3.981741|2.049234|13.501218|6.792546|7.917205|13.629884|36.858105| |4.068613|5.837145|0.128455|3.240824|4.985647|0.116093|4.322551|5.486522|3.198913|4.998446|2.936841|0.084631|3.030538|3.539296|2.262293|2.370149|2.187245|1.862716|2.408871|0.044970|0.049640|1.847891|2.162281|2.653280|5.460985|2.235823|1.990337|12.388103|1.861701|2.125320|4.049300|2.120751|13.495898|7.860971|6.870413|7.918698|13.690030|36.858105| |5.131710|8.147960|0.183427|4.176214|7.495258|0.155052|6.150728|7.099179|3.883882|6.047583|3.353162|0.094636|3.392908|3.977324|2.524472|2.645357|2.361730|1.994788|2.601544|0.048268|0.053422|2.034774|2.426851|3.032904|6.373877|2.518749|2.187387|13.534925|2.076009|2.416562|4.718693|2.472562|14.978070|13.717784|7.976456|6.903593|7.932521|13.742250|36.858105| |3.083365|4.081208|0.085065|2.433215|3.376320|0.087296|2.966272|4.041969|2.558996|4.043905|2.518374|0.072819|2.723213|3.201450|2.042426|2.103736|2.019729|1.742116|2.208661|0.041617|0.045339|1.654110|1.885465|2.367800|4.772593|2.026189|1.863681|11.627654|1.694509|1.892161|3.480377|1.802452|12.260615|4.612749|5.320944|8.243387|14.341652|7.899775|5.220971|73.516695| |2.696602|3.626452|0.077400|2.207924|2.908457|0.074300|2.652441|3.574712|2.270641|3.626680|2.223181|0.064816|2.333437|2.779909|1.815881|1.888477|1.825500|1.594384|2.044522|0.038709|0.042247|1.526861|1.725907|2.046287|4.051091|1.783127|1.649171|10.435066|1.523209|1.685555|3.113925|1.637801|11.166797|3.767037|3.980265|5.246812|7.993392|6.684215|4.499233|24.003900|36.858105| |17.655568|12.312710|0.224381|7.290675|5.552297|0.145691|4.094185|4.449376|2.949383|5.347066|2.499361|0.064971|2.623378|3.559644|2.282861|2.182840|1.900420|1.692246|2.242120|0.042575|0.044743|1.807755|2.064979|3.049723|6.539066|2.808648|2.396396|15.817500|2.610049|3.004415|6.293505|3.130357|19.897004|4.871900|4.273381|3.536276|3.274765|3.521163|4.250997|4.884262|2.470081|0.500000| |17.713532|12.240577|0.223869|5.643156|7.006785|0.176668|4.562362|5.080794|3.235105|5.565775|2.787780|0.073310|3.011065|3.915208|2.431143|2.350161|2.063800|1.801459|2.346868|0.044234|0.047004|1.866302|2.159607|3.303240|7.378112|2.877909|2.463158|15.670273|2.493038|2.904134|5.823967|2.857529|18.263199|7.471411|6.666962|5.226079|4.638693|4.891275|6.022026|6.498227|3.129747|0.299585|0.500000| |17.642759|12.328387|0.181609|7.112886|6.978619|0.218065|4.610304|5.208178|3.541260|6.405896|2.998051|0.075797|3.297035|4.554327|2.783066|2.579611|2.206643|1.937011|2.524300|0.047602|0.049849|2.043838|2.363477|4.139632|9.668824|3.682144|3.027433|19.268139|3.208362|3.867855|8.083517|3.689238|23.136589|5.768115|5.477835|4.146814|3.524136|3.596337|4.377482|5.162123|2.508458|0.298819|0.298996|0.500000| |6.915585|12.342607|0.181298|17.640826|7.078364|0.216922|6.006101|6.236602|4.458612|9.125735|3.406931|0.083615|3.422914|4.921787|3.199838|2.994620|2.432496|2.147483|2.895123|0.054263|0.057013|2.451404|2.895200|4.440683|9.300184|4.102815|3.198230|20.595721|3.692591|4.712352|11.971775|6.013378|26.980279|4.641724|3.954372|3.096176|2.788567|2.996892|3.764561|4.164902|2.102267|0.171578|0.141942|0.207439|0.500000| |5.650674|12.216199|0.226623|17.691161|6.677265|0.164525|7.001897|6.444613|4.269590|8.457124|3.197420|0.081631|3.020870|4.122141|2.795937|2.784783|2.296996|2.030802|2.794813|0.052335|0.056110|2.358722|2.801464|3.411552|6.813528|3.114635|2.553555|16.602632|2.831406|3.406528|7.810606|4.523753|21.370400|4.528342|3.581850|2.905083|2.760111|3.125821|4.031276|4.121585|2.135679|0.149599|0.126167|0.142914|0.298168|0.500000| |7.475018|12.318005|0.218065|17.656602|5.524108|0.145577|4.749726|4.888368|3.328449|6.436804|2.676789|0.068482|2.670715|3.717566|2.474516|2.379938|2.014094|1.806219|2.451274|0.046467|0.048851|2.032584|2.338595|3.179922|6.501086|3.006751|2.501561|16.719858|2.888181|3.387953|7.740884|4.152125|22.500941|4.137015|3.466165|2.850620|2.678429|2.951151|3.657037|4.045495|2.088777|0.234363|0.149365|0.184535|0.299151|0.301390|0.500000| |4.441537|8.911622|0.192198|5.513114|8.710348|0.173550|17.607509|12.509639|5.861058|9.267773|4.230492|0.116467|3.737155|4.497513|3.005757|3.287836|2.751874|2.309547|3.131177|0.057246|0.064679|2.560459|3.204469|3.382193|6.754749|2.823460|2.375224|14.693541|2.324738|2.773997|5.674586|3.172534|16.767122|6.885461|4.701937|3.803321|3.787130|4.680488|6.811620|5.389041|2.782112|0.106788|0.118710|0.111054|0.135201|0.175211|0.121298|0.500000| |4.593031|9.425318|0.172211|7.342814|8.702195|0.210137|17.720350|12.763530|7.610820|14.494410|4.746140|0.119224|4.122041|5.330499|3.604380|3.808317|2.988617|2.526741|3.468509|0.063192|0.070149|2.968511|3.800943|4.172794|8.193573|3.505259|2.822936|17.377709|2.858212|3.546698|7.693691|4.445193|20.340418|5.471622|4.192007|3.300362|3.093260|3.508637|4.664776|4.535333|2.314409|0.110774|0.113142|0.122744|0.196845|0.252124|0.145850|0.302581|0.500000| |3.619189|6.085691|0.117469|3.843653|6.805112|0.173260|9.057727|26.032129|9.360696|10.865340|7.468034|0.224039|6.177840|6.238252|3.984908|4.689507|3.892746|2.999582|3.877804|0.068810|0.080235|3.085046|4.079985|4.232639|8.247903|3.242749|2.745228|16.080964|2.435056|2.933164|5.610854|3.027334|16.780777|6.684799|5.584636|4.507547|4.173663|4.576436|5.754133|5.956317|2.931190|0.085114|0.101074|0.098662|0.107090|0.110015|0.088312|0.218576|0.181241|0.500000| |3.549360|5.233541|0.094141|3.417463|5.367172|0.179560|5.045430|9.133446|7.311368|9.986812|8.612956|0.196239|17.725303|12.408902|5.782232|5.650610|4.657433|3.481801|4.129350|0.073605|0.080907|3.231372|4.092972|7.613274|14.860120|4.782032|3.992604|21.168164|3.067173|3.794983|6.650968|3.284541|19.734991|5.282616|6.004114|4.726713|3.761274|3.561424|4.042486|5.602661|2.627909|0.082423|0.098806|0.106799|0.103837|0.090407|0.080908|0.115118|0.122750|0.195950|0.500000| |2.683246|3.893031|0.072368|2.656214|3.639361|0.114011|3.663099|6.508401|5.601128|8.104762|8.744655|0.214430|17.593268|12.391732|6.776522|6.953500|6.746163|4.599167|4.965209|0.087119|0.096037|3.651840|4.477553|5.944160|9.555209|4.282950|3.937322|20.686237|2.821622|3.323588|5.552944|2.847196|18.191283|3.629198|4.024286|3.580671|3.024429|2.844533|3.063599|4.783758|2.308274|0.064955|0.074730|0.079797|0.079987|0.071899|0.064840|0.088790|0.093797|0.141263|0.303519|0.500000| |2.585473|3.859606|0.070276|2.980533|3.302195|0.106230|3.523071|5.609132|5.757488|12.003744|6.215507|0.129897|5.973651|12.363750|17.661398|8.663885|5.579677|4.991954|6.400586|0.113340|0.111207|6.133665|7.251960|7.365171|9.256407|7.236840|6.066996|31.265945|4.516845|5.598770|8.785599|4.922466|27.021133|2.843376|2.836122|2.430796|2.153903|2.154756|2.429274|3.409238|1.718389|0.064824|0.067118|0.078583|0.095680|0.082481|0.072661|0.082974|0.104050|0.101945|0.133729|0.139168|0.500000| |2.281516|3.309134|0.061207|2.456405|2.842305|0.089876|2.951433|4.785416|4.549893|8.176550|5.802919|0.129428|6.310169|12.329468|17.578673|8.622807|7.328599|6.747907|7.112407|0.126213|0.119366|5.656124|5.947911|6.099933|7.985561|5.726448|5.837990|29.022685|3.705988|4.223224|6.453497|3.458159|22.712800|2.599358|2.697323|2.389586|2.107236|2.057776|2.250955|3.396441|1.705512|0.057259|0.060848|0.068983|0.076530|0.067321|0.061012|0.071615|0.083119|0.092697|0.132990|0.170242|0.302862|0.500000| |2.116267|3.097551|0.058823|2.201833|2.739359|0.082611|2.914923|5.014603|4.456174|6.958475|6.851999|0.185340|6.850793|8.167375|6.903461|8.674866|17.597386|9.040035|7.638408|0.127328|0.143533|4.889740|5.515204|4.190252|6.424861|3.528132|3.449530|19.076505|2.535817|2.858496|4.736744|2.567437|16.726937|2.663822|2.790171|2.571392|2.307619|2.233409|2.378956|3.766768|1.894910|0.052849|0.058203|0.062009|0.065763|0.061171|0.054667|0.073183|0.078122|0.105105|0.140460|0.241018|0.140296|0.204131|0.500000| |2.042870|3.069515|0.059234|2.195864|2.713001|0.079102|3.049343|5.365462|4.725048|7.231503|7.077935|0.225866|5.414204|6.271359|5.441460|8.782428|17.521666|8.925122|9.414242|0.144258|0.204994|5.718787|6.866700|3.498073|5.579821|2.992974|2.832731|16.436909|2.269998|2.561498|4.416241|2.482876|15.426890|2.618652|2.628950|2.426643|2.250454|2.242675|2.405751|3.662921|1.878964|0.051346|0.056049|0.058656|0.064465|0.062519|0.054313|0.078276|0.082151|0.112679|0.119562|0.162447|0.123496|0.144341|0.304643|0.500000| |1.840427|2.679920|0.050950|1.984995|2.257801|0.068090|2.410668|3.882177|3.481308|6.095134|4.419774|0.112690|4.199009|6.256696|6.453563|6.586706|8.718694|17.634581|12.457632|0.225736|0.181200|6.954950|5.702526|3.576505|5.308323|3.429549|3.550548|20.673148|2.664312|2.872807|4.640155|2.612556|17.728320|2.122493|2.171216|1.995007|1.818918|1.788675|1.916798|2.994552|1.535963|0.046974|0.049674|0.054185|0.059861|0.055535|0.050072|0.060921|0.067667|0.077308|0.094388|0.123183|0.152185|0.233604|0.213518|0.173170|0.500000| |1.703625|2.488877|0.048022|1.815634|2.103316|0.061954|2.270608|3.687261|3.170526|5.327786|4.071520|0.113614|3.730601|4.998176|4.551515|5.414206|8.784941|17.629823|12.356797|0.221910|0.224412|5.587485|4.897250|2.927352|4.567801|2.717992|2.750305|16.462572|2.170489|2.341567|3.901326|2.201948|14.875027|2.025954|2.067033|1.939593|1.799108|1.770794|1.870154|2.994627|1.550557|0.043564|0.046545|0.049397|0.053678|0.051179|0.045934|0.058677|0.062680|0.075563|0.086134|0.113718|0.108753|0.142564|0.214816|0.217044|0.301816|0.500000| |1.954612|2.919515|0.055321|2.253733|2.417136|0.072680|2.675349|4.204497|3.928592|7.614404|4.392587|0.106962|3.783019|5.916896|6.505934|6.667620|5.756666|6.976572|12.439370|0.224571|0.181068|17.615949|8.732818|3.666124|5.426646|3.688710|3.574572|21.862063|3.032027|3.309626|5.516479|3.351426|20.486933|2.167975|2.132772|1.911977|1.760434|1.778347|1.956270|2.855157|1.476610|0.050310|0.051556|0.057383|0.068698|0.064421|0.056514|0.067014|0.078819|0.079422|0.088107|0.099224|0.200084|0.182173|0.128706|0.132785|0.209482|0.143245|0.500000| |1.852033|2.813198|0.054236|2.176314|2.314536|0.067534|2.651964|4.145087|3.742707|7.147471|4.002249|0.103556|3.247588|4.685159|4.551553|5.435320|4.901427|5.589986|12.359747|0.222366|0.224133|17.630551|8.782218|2.993357|4.669674|2.920604|2.760953|17.429694|2.500377|2.732539|4.789632|2.986821|17.653011|2.082192|2.003648|1.810086|1.701353|1.746962|1.922973|2.763929|1.448424|0.047998|0.048978|0.053328|0.064796|0.063707|0.054654|0.068111|0.078666|0.078387|0.078061|0.085181|0.134639|0.120105|0.107796|0.128419|0.143278|0.126498|0.301501|0.500000| |2.196482|3.439573|0.066359|2.578152|2.992662|0.086163|3.642105|6.301590|6.043124|10.297181|6.846590|0.184775|4.531401|5.859688|5.412065|8.808962|6.885600|5.729469|9.448804|0.144619|0.206706|8.913279|17.500558|3.553235|5.675866|3.143733|2.828886|16.958104|2.479843|2.849456|5.145861|3.096938|17.135305|2.691817|2.544443|2.266197|2.130172|2.212276|2.475198|3.396981|1.764866|0.055691|0.058591|0.062569|0.075902|0.076262|0.062858|0.092652|0.105148|0.118700|0.106210|0.114778|0.144612|0.127947|0.140057|0.202951|0.132384|0.129091|0.173052|0.215561|0.500000| |2.436933|3.840281|0.072275|3.001730|3.294670|0.098201|3.966083|6.515498|6.896073|14.944610|6.570494|0.149785|4.717764|6.916975|6.827202|8.761181|5.528333|4.872358|7.622880|0.126986|0.143798|9.000045|17.671648|4.373932|6.710006|3.994809|3.443179|20.523417|3.113344|3.686545|6.734442|4.247205|21.070838|2.809069|2.641242|2.288108|2.112188|2.192580|2.504138|3.333354|1.717093|0.061778|0.063434|0.070682|0.091640|0.088689|0.072363|0.096176|0.121894|0.114274|0.111316|0.112156|0.216576|0.148025|0.122729|0.140198|0.127452|0.107670|0.212199|0.213999|0.304482|0.500000| |2.432789|3.311389|0.060191|2.460485|2.710675|0.088421|2.579856|3.841864|3.312873|6.126347|3.610820|0.085237|4.450065|8.653242|5.769308|3.953559|3.541079|3.358603|3.968900|0.076225|0.071815|3.128669|3.262990|6.726350|8.973099|8.776786|17.781211|55.618690|5.446545|5.673189|7.400834|3.521382|29.740145|2.497799|2.697579|2.392054|2.055219|1.961179|2.124781|3.335330|1.656032|0.061463|0.064522|0.076767|0.078360|0.064464|0.062796|0.062688|0.072419|0.074742|0.112549|0.119122|0.155386|0.179577|0.105576|0.082643|0.107575|0.082511|0.098302|0.075373|0.077664|0.090720|0.500000| |3.591625|5.584860|0.098697|5.626001|3.900531|0.119922|3.995892|4.873460|3.963059|9.098251|3.184716|0.076790|3.071574|4.769755|3.440628|3.110179|2.485623|2.292361|3.198572|0.060734|0.061760|2.836750|3.217016|4.161742|7.362943|4.470576|3.524384|24.222546|4.753538|5.910691|16.827977|17.646841|36.664909|2.990467|2.727880|2.279283|2.083925|2.191352|2.586597|3.242561|1.667582|0.095924|0.084161|0.108361|0.203820|0.156002|0.140650|0.094982|0.136517|0.084347|0.085769|0.073066|0.112330|0.082939|0.065442|0.064567|0.065133|0.056412|0.082096|0.076430|0.081219|0.107343|0.083115|0.500000| |2.866660|4.202575|0.075833|3.787991|3.053747|0.095171|3.092777|4.040933|3.402113|7.581336|2.952344|0.070893|2.908414|4.744416|3.581476|3.070301|2.491318|2.377706|3.321364|0.064141|0.062744|2.964428|3.179737|4.097086|6.730529|4.993656|4.117800|30.710910|6.601315|7.288086|16.354923|17.640719|53.290722|2.489131|2.368201|2.026470|1.842949|1.895983|2.171450|2.919584|1.502183|0.076693|0.069668|0.087928|0.128872|0.103182|0.098556|0.074967|0.099315|0.072152|0.078748|0.070728|0.121912|0.089259|0.065729|0.063376|0.069416|0.058238|0.089741|0.079578|0.077915|0.104414|0.093812|0.301030|0.500000| |3.107985|4.820937|0.085973|4.289499|3.736231|0.118324|4.007088|5.393927|4.884656|12.377723|3.981087|0.091877|3.734354|6.175259|4.790396|4.135957|3.118335|2.876646|4.045147|0.075737|0.076253|3.786121|4.367686|5.218146|8.278330|5.750611|4.362083|28.223673|5.338387|7.093890|16.419139|17.601933|35.905225|2.935055|2.742164|2.297308|2.078989|2.156581|2.518196|3.247182|1.659986|0.080182|0.075919|0.094394|0.148402|0.121105|0.103668|0.093313|0.134028|0.092361|0.098988|0.087172|0.173162|0.110781|0.080327|0.078774|0.082642|0.068724|0.112617|0.099505|0.103768|0.154976|0.101324|0.300084|0.298246|0.500000| |5.508651|7.066653|0.123927|3.996241|7.028885|0.227783|4.880727|6.702845|4.385962|6.890160|4.094312|0.105726|5.123283|6.076782|3.372927|3.215947|2.822915|2.344839|2.917888|0.054013|0.057943|2.281782|2.710098|5.014328|12.407197|3.778640|3.205831|18.594840|2.796257|3.367350|6.220405|2.954424|18.915772|8.880963|17.706703|8.986155|5.642144|4.949918|5.657932|7.644779|3.329852|0.117296|0.171112|0.167049|0.116190|0.098125|0.096698|0.116598|0.114173|0.143132|0.198904|0.124972|0.087489|0.083398|0.082887|0.075436|0.064566|0.060173|0.062989|0.057829|0.072423|0.076980|0.087205|0.081046|0.071407|0.082645|0.500000| |3.706590|4.696518|0.091317|2.776290|4.089836|0.114189|3.339221|4.677708|3.056018|4.802315|3.061173|0.085148|3.619204|4.221581|2.538404|2.515968|2.376408|2.016260|2.497457|0.046798|0.050353|1.883375|2.164979|3.190514|6.719328|2.629771|2.400465|14.505279|2.096465|2.379658|4.294298|2.139992|14.712642|5.613900|8.909434|17.745304|8.948137|5.653636|4.970257|13.541233|4.870596|0.087338|0.122250|0.103391|0.077241|0.071147|0.070870|0.088189|0.079717|0.106346|0.124066|0.099002|0.065225|0.065715|0.070943|0.065364|0.054967|0.053444|0.051522|0.048277|0.059357|0.059850|0.067601|0.059035|0.053647|0.060036|0.215369|0.500000| |3.487076|5.027539|0.113517|2.908120|4.081447|0.096237|3.755799|4.768790|2.831783|4.482282|2.617067|0.076181|2.643523|3.126461|2.042639|2.156608|2.012987|1.734774|2.262570|0.042438|0.046909|1.727517|2.001114|2.325704|4.682647|1.997941|1.796123|11.317873|1.696786|1.915334|3.646424|1.938069|12.444944|5.630359|4.955183|5.624444|8.857053|17.772177|8.958096|12.495338|7.386020|0.087150|0.113035|0.085577|0.074130|0.079392|0.074857|0.116664|0.087228|0.109017|0.083798|0.069691|0.054319|0.051992|0.056744|0.057803|0.046135|0.046109|0.046025|0.045745|0.057368|0.056261|0.049212|0.055855|0.048553|0.054757|0.107548|0.124044|0.500000| |4.795206|8.220532|0.204369|4.361730|6.872566|0.139166|6.479333|6.943216|3.773577|5.998431|3.173606|0.089852|3.083193|3.683783|2.402375|2.545923|2.262258|1.929747|2.558461|0.047550|0.052828|2.015551|2.402235|2.800722|5.748437|2.373803|2.061504|12.923153|2.000176|2.318066|4.591384|2.465339|14.625419|8.855771|5.638950|4.965185|5.666746|9.021876|17.675870|7.499845|3.917050|0.115514|0.146619|0.111515|0.105143|0.122370|0.106323|0.229156|0.138675|0.149666|0.098485|0.077147|0.065082|0.059414|0.062317|0.064431|0.051332|0.050217|0.053534|0.053514|0.068784|0.069532|0.055275|0.072818|0.060195|0.069858|0.123716|0.107776|0.219933|0.500000| |2.398772|3.191433|0.067408|1.982073|2.536853|0.066056|2.328600|3.170823|2.057228|3.308754|2.043088|0.059481|2.157556|2.592592|1.702726|1.762173|1.723273|1.518214|1.940754|0.036917|0.040068|1.439177|1.610120|1.901996|3.727282|1.673556|1.565008|9.950545|1.439574|1.579202|2.891505|1.520882|10.579587|3.174352|3.420553|4.428824|5.897619|4.890612|3.614428|16.973294|17.681029|0.061649|0.076333|0.062891|0.052890|0.053218|0.052444|0.067099|0.057295|0.071624|0.066715|0.060037|0.044704|0.044842|0.049944|0.049188|0.040734|0.041271|0.038771|0.037934|0.045620|0.044304|0.043893|0.042809|0.039011|0.042770|0.082413|0.121964|0.144859|0.089163|0.500000| 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