Version2.0 2020-01-26T00:05:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 04-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)S(=O)(=O)Oc2ccccc2c3c(n4ccc(cc4[nH+]3)C)NC(C)(C)CC(C)(C)C C35703266 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)S(=O)(=O)Oc2ccccc2c3c(n4ccc(cc4[nH+]3)C)NC(C)(C)CC(C)(C)C C01[X(C29H36N3O3S1)] 210 C1 616 Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1c1[nH+]c2n(c1NC(CC(C)(C)C)(C)C)ccc(c2)C Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1c1[nH+]c2n(c1NC(CC(C)(C)C)(C)C)ccc(c2)C Cc1ccc(cc1)[S](=O)(=O)Oc2ccccc2c3[nH+]c4cc(C)ccn4c3NC(C)(C)CC(C)(C)C InChIKey=IJMAATYTFDVXTI-UHFFFAOYSA-O InChI=1S/C29H35N3O3S/c1-20-12-14-22(15-13-20)36(33,34)35-24-11-9-8-10-23(24)26-27(31-29(6,7)19-28(3,4)5)32-17-16-21(2)18-25(32)30-26/h8-18,31H,19H2,1-7H3/p+1 InChI=1/C29H35N3O3S/c1-20-12-14-22(15-13-20)36(33,34)35-24-11-9-8-10-23(24)26-27(31-29(6,7)19-28(3,4)5)32-17-16-21(2)18-25(32)30-26/h8-18,31H,19H2,1-7H3/p+1/fC29H36N3O3S/h30H/q+1 Cc1ccc(cc1)S(=O)(=O)Oc2ccccc2c3c(n4ccc(cc4[nH+]3)C)NC(C)(C)CC(C)(C)C C01[X(C29H36N3O3S1)] 210 C01 616 Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1c1[nH+]c2n(c1NC(CC(C)(C)C)(C)C)ccc(c2)C Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1C1=C(NC(CC(C)(C)C)(C)C)N2[C@@H](N1)C=C(C=C2)C Cc1ccc(cc1)[S](=O)(=O)Oc2ccccc2C3=C(NC(C)(C)CC(C)(C)C)N4C=CC(=C[C@@H]4N3)C InChIKey=MPUJPGZWTHSKCO-RUZDIDTESA-N InChI=1S/C29H37N3O3S/c1-20-12-14-22(15-13-20)36(33,34)35-24-11-9-8-10-23(24)26-27(31-29(6,7)19-28(3,4)5)32-17-16-21(2)18-25(32)30-26/h8-18,25,30-31H,19H2,1-7H3/t25-/m1/s1 InChI=1/C29H37N3O3S/c1-20-12-14-22(15-13-20)36(33,34)35-24-11-9-8-10-23(24)26-27(31-29(6,7)19-28(3,4)5)32-17-16-21(2)18-25(32)30-26/h8-18,25,30-31H,19H2,1-7H3/t25-/m1/s1 4378.8478765168 -1904.3405682 1-A 18644.7129 135 481 616 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1.7670 2.2306 1.6956 1.7212 1.9745 1.7411 1.8448 2.2600 3.3992 2.7921 7.9793 10.4020 10.3676 11.0239 9.8727 11.7430 16.8401 12.8374 6.3483 6.2959 6.3119 6.3225 6.3558 6.3345 6.3601 6.4729 6.7291 6.9088 6.9181 6.9267 6.9543 6.9565 6.9922 7.0008 7.0129 7.0372 7.0461 7.0808 7.0530 7.1403 7.1779 7.3062 7.3348 7.3531 7.3789 7.4663 7.4836 7.4866 7.5005 7.5257 7.5257 7.9538 9.3055 9.6222 1.7173 0.9734 0.5763 0.3407 2.5037 0.7506 1.5820 0.2342 0.0708 0.6672 1.7143 0.3182 0.5407 0.4692 1.6955 0.9851 4.3138 0.6224 8.7141 0.2285 8.6658 9.1715 0.1486 11.6370 10.8583 17.0511 1.1073 2.1281 9.2118 5.5530 1.3966 2.8398 2.4519 1.6472 0.9300 0.5267 0.1749 0.2439 7.6949 0.1641 0.6570 0.0903 1.1352 2.5569 0.2643 0.0582 0.4679 8.2355 3.1141 1.4090 3.4276 13.1691 48.2871 60.1690 3.8532 17.6879 92.4970 34.9891 87.2410 2.2433 0.5587 5.2882 1.1981 0.7622 143.7677 9.5344 32.8332 9.5184 7.2620 164.4973 30.8799 8.9912 4.8267 0.9615 10.0433 19.2144 115.3749 56.3174 25.2822 9.1878 55.5795 0.0607 11.5780 169.5759 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14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 14029.7807 22604.9719 28580.3573 0.99993 0.01020 0.00576 -0.01025 0.99989 0.01026 -0.00565 -0.01032 0.99993 1 0.00617 0.00383 0.00303 0.12864 0.07984 0.06315 21.39 26.19 34.12 38.05 44.10 60.43 62.74 73.28 98.50 114.09 118.53 133.05 137.23 150.45 163.82 197.89 216.03 256.19 266.21 288.22 297.01 322.85 355.21 365.80 380.78 392.97 398.81 418.13 427.98 450.54 457.36 468.11 471.47 479.38 488.99 502.38 508.91 528.52 540.82 550.20 573.31 582.43 610.62 635.05 644.50 650.99 670.27 692.16 702.84 723.57 752.86 776.41 785.40 799.20 802.88 832.47 872.60 882.52 900.71 936.91 968.51 971.87 993.90 998.96 1048.99 1076.41 1077.41 1115.95 1136.22 1159.00 1177.76 1207.01 1227.87 1231.92 1261.17 1268.99 1276.06 1310.26 1328.37 1333.67 1348.94 1373.56 1382.10 1390.67 1414.70 1446.67 1456.73 1461.24 1475.22 1502.10 1505.64 1518.38 1562.36 1574.09 1578.94 1579.96 1592.24 1601.41 1604.81 1609.81 1613.54 1634.71 1635.95 1655.75 1673.07 1685.21 1686.83 1688.91 1718.45 1739.84 1742.63 1749.99 1786.16 1830.31 1839.36 1846.12 1852.10 1876.04 1889.09 1899.73 1909.18 1911.65 1922.33 1931.91 1954.05 1962.30 1968.84 1992.34 2014.59 2030.29 2034.20 2102.22 2120.99 2140.96 2145.64 2178.96 2221.85 2241.98 2246.76 2247.73 2249.36 2252.16 2256.40 2257.13 2277.43 2290.97 2322.93 2327.59 2330.34 2332.84 2344.34 2346.34 2347.56 2350.51 2351.94 2352.42 2353.74 2361.92 2375.03 2379.22 2386.33 2390.63 2398.47 2406.40 2407.95 2414.60 2457.33 2525.30 2539.60 2557.60 2589.86 2600.22 2662.50 2692.27 4596.00 4605.70 4616.61 4625.02 4629.44 4631.39 4633.63 4654.92 4660.22 4691.79 4694.76 4702.02 4711.80 4711.95 4720.42 4725.07 4731.65 4737.12 4741.75 4747.54 4756.23 4767.93 4780.92 4851.87 4859.10 4864.79 4873.86 4893.52 4901.69 4903.38 4905.42 4907.14 4914.71 5051.37 5511.42 5587.97 0.649190 0.682830 0.683774 0.581340 -1903.691378 -1903.657738 -1903.656794 -1903.759228 3.435653D-04 MUNgauss RevisionA2.0 retrievium 26-Jan-2020 DUDE Cc1ccc(cc1)S(=O)(=O)Oc2ccccc2c3c(n4ccc(cc4[nH+]3)C)NC(C)(C)CC(C)(C)C C35703266 RHF 6-31G(d) (6D,10F) C1 506.247739 |X|Y|Z| 76.192953 102.074918 49.194528 72.596700 23 6 7 8 16 19 2 1 1 |36.858105| |12.625122|36.858105| |7.564387|13.647469|36.858105| |5.023043|7.888466|13.823176|36.858105| |4.450250|6.872449|7.985627|13.697289|36.858105| |5.012305|7.889591|6.863110|7.877014|13.748923|36.858105| |7.547620|13.705664|7.944774|6.861489|7.982915|13.763365|36.858105| |3.158887|4.212811|4.770290|7.018140|10.885744|7.010780|4.762160|388.023441| |2.862139|3.673677|3.824589|4.934414|7.310883|6.479430|4.411598|94.964458|73.516695| |2.862744|3.670474|4.375586|6.353860|7.294090|4.985250|3.843743|95.342240|13.677051|73.516695| |2.880956|3.696306|4.171997|5.690170|7.184221|5.376279|4.040077|83.936905|13.812931|14.259637|73.516695| |2.675347|3.325769|3.522127|4.366138|5.483822|4.851504|3.756324|51.612363|11.956970|9.295909|24.512525|36.858105| |2.872969|3.532673|3.613652|4.219780|5.099348|4.901861|4.006974|38.583524|9.004685|7.277839|14.263766|13.811986|36.858105| |2.528192|2.969370|2.940867|3.268202|3.823287|3.899466|3.368331|28.592655|7.206054|5.715810|9.302132|7.983686|13.749542|36.858105| |2.182692|2.526660|2.513130|2.805238|3.280127|3.322434|2.859046|26.033546|6.930230|5.348084|8.184434|6.910134|7.933607|13.756134|36.858105| |2.093221|2.449154|2.484202|2.850527|3.379258|3.307627|2.764480|29.157231|8.037539|6.022548|9.271602|7.985378|6.876665|7.949869|13.764090|36.858105| |2.271483|2.730611|2.845242|3.410764|4.154021|3.841961|3.076429|39.935359|10.788002|7.946768|14.130301|13.706334|7.881654|6.838183|7.897085|13.705112|36.858105| |2.084750|2.486861|2.629803|3.179811|3.799843|3.422365|2.758636|39.303686|11.013156|8.629473|11.931301|7.634152|5.053971|4.470225|5.059872|7.648589|12.904941|36.858105| |1.984976|2.351967|2.550948|3.107448|3.544458|3.076508|2.532005|36.716964|9.237197|9.248301|10.848281|5.828980|4.135736|3.606826|3.883579|5.186229|7.364487|14.136255|36.858105| |1.840868|2.155078|2.312307|2.766946|3.139242|2.789195|2.323561|31.361572|8.437163|8.243549|8.029771|4.287677|3.281702|2.957417|3.204020|4.120947|5.200512|8.657494|13.314107|53.358707| |1.714991|1.982545|2.142629|2.532697|2.777682|2.462745|2.098891|26.392638|6.813475|7.413947|6.522730|3.380609|2.717388|2.463463|2.615154|3.192096|3.828895|5.386176|7.531282|19.012774|36.858105| |1.602439|1.831211|1.952654|2.264064|2.478380|2.251534|1.943631|22.585326|6.020721|6.221764|5.386961|2.845221|2.361497|2.180289|2.321020|2.776415|3.193665|4.234978|5.123603|11.062665|14.157358|36.858105| |1.589759|1.812234|1.897008|2.177746|2.430713|2.268465|1.954499|21.867136|6.159349|5.729688|5.132677|2.795162|2.341791|2.197583|2.373624|2.849435|3.196213|4.189447|4.568586|9.408382|7.893735|13.331412|36.858105| |1.692184|1.945987|2.017125|2.328296|2.670497|2.522920|2.137334|24.544387|7.308459|6.112759|5.792760|3.252216|2.678720|2.528804|2.787622|3.450637|3.876166|5.282944|5.280326|10.813977|6.867906|7.930727|13.978866|36.858105| |1.833589|2.141077|2.242854|2.645089|3.082213|2.847190|2.359421|30.084347|8.982843|7.345287|7.395348|4.185293|3.262695|3.020728|3.361454|4.397453|5.291797|8.561324|8.409029|19.363351|8.117124|7.022309|8.023676|13.568416|36.858105| |1.966052|2.317636|2.399837|2.838186|3.409747|3.203639|2.604826|33.647722|10.620744|7.493338|8.714708|5.385154|4.035492|3.765527|4.349137|6.193785|7.729739|13.737899|8.591999|12.062987|5.531671|4.739205|5.206118|7.657918|14.315554|53.358707| |1.996168|2.346535|2.379258|2.771728|3.382501|3.309753|2.688829|31.849105|10.703938|6.813329|7.976960|5.115435|4.029228|3.876439|4.550765|6.310201|7.061635|9.025721|6.029117|8.372045|4.395337|4.013116|4.599904|6.733315|9.234419|26.031567|0.500000| |1.458788|1.639021|1.699904|1.913892|2.108838|2.002626|1.759808|18.136898|5.065491|4.729821|4.226648|2.314332|1.999812|1.900570|2.039722|2.376322|2.584946|3.178432|3.357672|6.087925|5.048753|7.525007|12.665706|7.595716|5.040456|5.201549|0.099865|36.858105| |1.989485|2.348695|2.613279|3.198582|3.468940|2.923705|2.456346|34.354229|7.729731|9.347393|10.816531|5.346706|3.974632|3.393936|3.491687|4.324063|5.813673|7.654210|13.903463|10.571369|6.278496|4.358570|3.700397|3.951036|5.351039|7.262001|0.118091|2.872359|53.358707| |1.770456|2.040609|2.259971|2.670161|2.792128|2.414317|2.098457|25.248980|5.772452|6.856008|7.675220|4.021166|3.275691|2.927942|3.031776|3.600093|4.337145|5.151007|7.341270|7.586320|5.218304|3.848909|3.225906|3.306391|4.134820|5.479041|0.093257|2.600009|17.410647|36.858105| |1.588277|1.807316|1.957975|2.264424|2.400847|2.144342|1.878381|21.301378|5.154208|5.602633|6.207025|3.455188|2.881746|2.697116|2.910926|3.510030|3.970341|4.855496|6.498701|7.692922|5.387452|4.102671|3.465147|3.528423|4.319617|5.555075|0.094328|2.788632|10.472982|12.462035|36.858105| |1.710606|1.955813|2.193234|2.575436|2.612418|2.241794|1.976588|22.996331|5.172830|6.634461|6.498221|3.258163|2.740523|2.441635|2.474355|2.840279|3.357259|3.918819|5.302350|6.401715|5.041245|3.832521|3.082551|3.003159|3.545501|4.497088|0.078545|2.544127|10.643830|12.357930|7.633986|36.858105| |1.795947|2.054824|2.282399|2.656000|2.714771|2.359317|2.086116|23.259283|5.200883|6.101518|7.417214|3.990008|3.431616|3.083060|3.109183|3.513326|4.073908|4.270052|5.186745|5.424908|3.680407|2.934574|2.578358|2.678574|3.254217|4.549871|0.080854|2.155989|10.323948|12.189738|7.318130|7.733402|36.858105| |1.725400|1.953070|2.123133|2.415262|2.496530|2.236900|1.998829|20.710507|4.774447|5.158340|6.666228|3.904983|3.537390|3.349641|3.446935|3.790489|4.083961|3.983451|4.368510|4.658975|3.078834|2.552118|2.328794|2.467669|2.966158|4.303719|0.078366|1.977653|7.336426|6.858034|5.904814|4.840903|12.254632|36.858105| |1.515927|1.690730|1.815098|2.030175|2.098860|1.916789|1.732537|17.190595|4.078509|4.309815|5.230072|3.078955|2.834379|2.783933|2.950793|3.233347|3.324321|3.355149|3.662247|4.190223|2.853656|2.427958|2.223651|2.323921|2.712826|3.841564|0.070592|1.917301|5.758116|5.538438|5.855377|4.261383|7.399528|12.374126|36.858105| |1.755708|1.965600|2.145403|2.394943|2.409392|2.166123|1.976617|19.057737|4.313661|4.732904|6.068169|3.503592|3.381196|3.201598|3.134596|3.236557|3.429416|3.209071|3.404818|3.766599|2.539446|2.160953|1.991018|2.096220|2.458698|3.572383|0.066796|1.725508|5.575022|4.783681|4.071677|3.924089|7.727575|12.358140|7.678523|36.858105| |1.826263|2.086214|2.231101|2.548247|2.721870|2.477104|2.181984|22.848200|5.401983|5.407105|7.669142|4.953891|4.470177|4.383683|4.716402|5.301932|5.481168|4.904881|4.896586|5.007428|3.127072|2.602672|2.446434|2.684721|3.307729|5.085685|0.093162|2.059690|7.412633|5.743433|5.280175|4.010291|7.388187|12.452292|7.597546|7.663902|36.858105| |17.546438|8.887484|6.520657|4.547149|4.004719|4.382976|6.078185|20.921533|4.778582|4.874367|4.675482|2.420822|2.537352|2.249565|1.981398|1.925400|2.092563|1.957392|1.882140|2.407860|1.666107|1.569128|1.556176|1.642743|1.761533|2.538368|0.052502|1.438601|2.566663|1.684877|1.517104|1.646509|1.694450|1.616245|1.431001|1.637180|1.695972|0.500000| |17.596762|8.840047|5.588497|4.176283|3.976262|4.736052|7.203108|20.794435|4.866677|4.637229|4.796169|2.578820|2.811921|2.535032|2.191177|2.075952|2.214616|2.017034|1.898199|2.403883|1.638039|1.538613|1.540278|1.648658|1.778508|2.612541|0.054684|1.419475|2.562125|1.679842|1.523266|1.610571|1.703469|1.655593|1.463798|1.680720|1.767756|0.301805|0.500000| |17.573729|8.855837|6.954385|4.672000|3.983458|4.236714|5.736179|20.832031|4.653389|4.798032|4.919306|2.573576|2.792358|2.465965|2.117852|2.018734|2.181771|1.996231|1.915670|2.401750|1.649766|1.535032|1.512243|1.602515|1.741723|2.537007|0.052197|1.386947|2.648566|1.751870|1.565532|1.697229|1.800981|1.736046|1.522984|1.791427|1.823285|0.302207|0.301321|0.500000| |7.026209|8.893388|17.720696|8.974866|5.670261|4.947146|5.647731|28.006720|5.708435|6.806219|6.375821|3.059147|3.136611|2.612654|2.258029|2.230968|2.526945|2.363877|2.333318|2.895087|2.001424|1.829656|1.763617|1.852427|2.043978|2.938581|0.059073|1.591656|3.308468|2.148591|1.859889|2.118866|2.191451|2.033151|1.748098|2.083076|2.098238|0.179846|0.141390|0.203878|0.500000| |4.094599|5.620623|8.922147|17.748330|8.885777|5.621398|4.948585|47.523759|8.089532|12.761476|10.168075|4.194885|3.910549|3.051279|2.667609|2.756908|3.337280|3.200004|3.251491|3.918467|2.677657|2.362944|2.224699|2.343254|2.674133|3.828985|0.074719|1.944625|4.729536|2.909656|2.409513|2.869316|2.895023|2.559533|2.135110|2.542951|2.635001|0.106529|0.096104|0.110366|0.215863|0.500000| |4.085757|5.623462|4.950086|5.620862|8.907228|17.757108|8.901970|47.411460|13.304533|8.219888|9.223398|5.048748|5.018721|4.145681|3.625522|3.635661|4.165058|3.680548|3.188677|3.978004|2.536408|2.337247|2.404496|2.733063|3.080989|4.835190|0.105308|2.118684|3.981274|2.400864|2.171888|2.199401|2.316746|2.219993|1.918732|2.116780|2.500698|0.101787|0.112502|0.097733|0.107480|0.123841|0.500000| |6.989934|8.910606|5.645171|4.946817|5.672391|8.958485|17.727081|27.968173|6.884869|5.749466|6.118013|3.343774|3.623808|3.201845|2.752396|2.623398|2.831893|2.537273|2.308762|2.917746|1.939888|1.817256|1.848673|2.026949|2.208223|3.324101|0.071073|1.682499|3.017789|1.917053|1.743381|1.801747|1.905743|1.849441|1.622788|1.828342|2.027522|0.159721|0.219535|0.146543|0.124064|0.107464|0.215552|0.500000| |3.315165|4.158472|4.281086|4.923254|5.723676|5.457766|4.611064|37.963506|8.271241|7.266795|13.113570|8.974573|17.748506|8.864925|5.633222|4.956569|5.635665|4.125669|3.589701|3.982481|2.496173|2.186932|2.151928|2.413630|2.872435|4.637174|0.094236|1.860479|4.876068|3.013045|2.613803|2.605900|3.206511|3.246033|2.611719|3.237401|3.869196|0.079451|0.089180|0.090508|0.101962|0.123416|0.144271|0.112666|0.500000| |2.552105|2.924667|2.840021|3.043317|3.452431|3.614934|3.280551|24.402841|6.084239|5.005649|7.520615|5.671710|8.936066|17.735821|8.912900|5.650660|4.935385|3.570343|3.004682|3.450848|2.164713|1.942161|1.958573|2.221903|2.585697|4.245891|0.089638|1.721415|3.926482|2.562152|2.375329|2.185464|2.735047|2.994594|2.540077|2.968672|3.766396|0.062544|0.072077|0.069820|0.070793|0.078398|0.105017|0.088433|0.213846|0.500000| |2.005061|2.270957|2.235823|2.443071|2.799590|2.877793|2.549592|21.675374|5.793066|4.580627|6.498073|4.972925|5.643652|8.911126|17.738590|8.931349|5.632775|4.121350|3.298180|3.843439|2.354945|2.127031|2.192668|2.554624|2.988154|5.097071|0.110228|1.915764|4.074308|2.688875|2.648538|2.227837|2.768058|3.121238|2.776702|2.875468|4.157439|0.050802|0.056426|0.054218|0.056426|0.064667|0.087043|0.069433|0.123814|0.214543|0.500000| |1.884647|2.171726|2.198862|2.495223|2.907867|2.857680|2.430890|24.991320|7.002271|5.376265|7.483558|5.666215|4.954005|5.653855|8.931931|17.716637|8.924950|7.076261|4.981802|5.692887|3.242277|2.862610|2.990001|3.672059|4.617982|8.803576|0.184851|2.495795|5.513779|3.491046|3.602842|2.757666|3.324067|3.614790|3.239312|3.023287|4.938595|0.048652|0.052049|0.050505|0.055443|0.067619|0.087242|0.064761|0.107587|0.124264|0.215762|0.500000| |1.707614|1.969419|2.158918|2.556928|2.733902|2.385116|2.052162|25.589173|6.257803|7.479925|6.471720|3.271089|2.654239|2.384471|2.489983|2.980840|3.580896|4.780413|6.932793|12.547575|17.868774|8.920225|5.589721|4.964330|5.807635|6.158752|0.102709|4.083742|9.490174|6.201578|6.016176|6.664959|4.138147|3.290433|3.033102|2.710937|3.203646|0.046114|0.045017|0.045967|0.056597|0.076631|0.067011|0.052365|0.068617|0.058567|0.062280|0.082815|0.500000| |1.515632|1.715972|1.834632|2.105186|2.260447|2.055633|1.800968|19.981411|5.202355|5.590668|4.757617|2.496332|2.114476|1.957551|2.062714|2.413634|2.735777|3.462370|4.133360|7.825897|9.114462|17.755416|8.762828|5.647976|5.032586|5.095753|0.090999|6.981051|5.127125|3.492686|3.703825|3.667903|2.716603|2.355529|2.269571|2.023803|2.351416|0.041468|0.040347|0.040464|0.048227|0.061419|0.058675|0.046858|0.055091|0.048991|0.052944|0.068799|0.214364|0.500000| |1.663173|1.900527|1.939562|2.208255|2.548247|2.472401|2.108386|22.670406|6.923538|5.476188|5.318477|3.057570|2.580494|2.482586|2.759951|3.365408|3.630567|4.625361|4.322260|7.730921|4.953674|5.606140|8.906570|17.756361|8.881287|9.250993|0.191168|6.904884|4.548826|2.848685|3.030455|2.587455|2.391093|2.254023|2.135139|1.942084|2.479818|0.044861|0.045384|0.043573|0.049358|0.060861|0.075566|0.056258|0.064569|0.061028|0.071247|0.100743|0.107817|0.123265|0.500000| |1.471339|1.650291|1.716900|1.929310|2.108876|1.995465|1.761854|17.952481|4.953212|4.767564|4.100612|2.206873|1.916963|1.805926|1.909389|2.195299|2.408545|2.912702|3.101925|5.475502|4.656514|6.767376|8.916033|5.927999|4.340746|4.626403|0.089341|17.561547|3.704510|2.461933|2.574093|2.466662|2.057106|1.870630|1.802283|1.651336|1.930178|0.040568|0.039629|0.038788|0.044795|0.054620|0.058197|0.046696|0.050079|0.045668|0.049701|0.063028|0.108693|0.192629|0.150963|0.500000| |1.359154|1.516334|1.575127|1.762258|1.919278|1.821301|1.615792|16.306083|4.462537|4.263861|3.882204|2.137239|1.863446|1.784131|1.919606|2.222832|2.387513|2.901312|3.102131|5.484828|4.654705|6.750558|8.913501|5.923223|4.335482|4.608909|0.088016|17.560787|3.696340|2.536635|2.785311|2.501675|2.107544|1.940996|1.913221|1.690944|1.999902|0.037218|0.036755|0.036098|0.041243|0.049961|0.053166|0.042981|0.048233|0.045109|0.050464|0.065313|0.108392|0.190938|0.150641|0.302150|0.500000| |1.446215|1.619535|1.660735|1.855791|2.060856|1.990413|1.753461|17.487041|4.983675|4.448688|4.065678|2.261589|1.973741|1.895941|2.047134|2.372774|2.535461|3.055920|3.102741|5.413877|4.175695|5.536240|8.852611|7.247401|4.732233|5.123209|0.102239|17.614347|3.585677|2.376386|2.542328|2.289212|2.010163|1.874598|1.818002|1.645702|1.977628|0.039592|0.039336|0.038066|0.043044|0.051798|0.059133|0.046968|0.050883|0.047841|0.053795|0.069712|0.095663|0.139953|0.217561|0.300969|0.300950|0.500000| |2.186436|2.621201|2.987222|3.769448|4.032486|3.258585|2.713071|40.954422|8.394870|11.659083|13.603027|5.887236|4.327830|3.520479|3.462909|4.131562|5.679293|6.675906|9.548073|8.403921|5.238835|3.854088|3.332149|3.546645|4.637217|6.472146|0.109720|2.650817|25.990479|8.988068|5.632542|6.980912|7.027130|5.000975|3.809879|4.102547|5.021049|0.057351|0.056854|0.059516|0.076921|0.116910|0.088486|0.066865|0.111379|0.083330|0.081589|0.103607|0.161389|0.094607|0.085119|0.071070|0.069073|0.068054|0.500000| |1.550111|1.762633|1.904030|2.202195|2.346919|2.102769|1.838198|20.997441|5.179999|5.612451|5.844784|3.206512|2.664243|2.490966|2.692338|3.259032|3.697831|4.737995|6.499501|9.004939|6.957174|5.143346|4.121685|4.039543|4.843621|5.780963|0.097088|3.237606|9.397449|8.774973|17.568724|7.064682|5.387245|4.435959|4.424650|3.321958|4.171142|0.041392|0.041309|0.042202|0.050176|0.064972|0.059473|0.047499|0.067440|0.061148|0.068384|0.094071|0.217844|0.127945|0.093578|0.082159|0.090745|0.080114|0.143041|0.500000| |1.482755|1.668467|1.804679|2.057000|2.147694|1.933148|1.719117|18.449937|4.442642|4.858028|5.313701|2.964197|2.560256|2.428624|2.599758|3.029378|3.311582|3.830951|4.757665|5.881995|4.316025|3.507156|2.999266|2.997653|3.499724|4.532414|0.079591|2.505813|7.602616|8.864890|17.613497|6.933559|6.814602|5.806539|6.615212|4.110885|4.771053|0.039429|0.039539|0.040823|0.048080|0.060858|0.054100|0.044522|0.065447|0.060484|0.066893|0.086532|0.134709|0.091382|0.073090|0.064761|0.070645|0.063735|0.125253|0.304195|0.500000| |1.593110|1.813044|1.941047|2.234897|2.406511|2.181378|1.904883|21.308623|5.280056|5.391307|6.324478|3.704017|3.088974|2.961348|3.304710|4.097521|4.484813|5.442129|6.694388|7.614072|4.875845|3.843426|3.428117|3.644757|4.555698|6.154635|0.104298|2.759103|9.427342|8.710823|17.614104|5.501133|6.474683|6.184117|6.242765|4.124237|6.230766|0.042058|0.042728|0.043531|0.050861|0.065023|0.062091|0.049402|0.076109|0.071701|0.083735|0.120517|0.139051|0.094341|0.088371|0.069739|0.076186|0.071209|0.143794|0.301887|0.302160|0.500000| |1.829432|2.101563|2.401941|2.846897|2.816943|2.368903|2.094679|24.499083|5.300248|7.306822|6.905132|3.324583|2.818040|2.459522|2.431668|2.740246|3.274969|3.693948|4.811291|5.705895|4.396542|3.441047|2.827197|2.774991|3.257514|4.214850|0.074741|2.364744|9.653697|8.748373|5.520387|17.553262|7.157073|4.518554|3.805885|3.927343|3.778652|0.048926|0.047407|0.050645|0.064962|0.090427|0.063514|0.052518|0.075980|0.061464|0.060474|0.072424|0.155204|0.091996|0.067225|0.064621|0.063878|0.059570|0.206318|0.142722|0.141445|0.122517|0.500000| |1.579633|1.781737|1.983220|2.281299|2.293221|2.001001|1.791293|19.503733|4.449459|5.494625|5.475474|2.823008|2.447148|2.224521|2.260859|2.551138|2.913709|3.303145|4.209328|5.241568|4.151655|3.349867|2.747113|2.655930|3.045497|3.889284|0.069207|2.329949|7.639959|8.750519|6.940629|17.576346|7.034548|4.716698|4.463975|3.913485|3.729213|0.042317|0.041452|0.043766|0.053717|0.070025|0.054560|0.045710|0.064997|0.056041|0.057404|0.069559|0.145039|0.091308|0.064575|0.062739|0.064677|0.058518|0.141882|0.175049|0.207285|0.140524|0.301816|0.500000| |1.672260|1.911360|2.132365|2.504392|2.564322|2.210301|1.942342|22.841190|5.245705|6.728114|6.143725|3.070466|2.567621|2.297262|2.346593|2.715882|3.209504|3.886083|5.351993|7.155608|6.287577|4.651199|3.529677|3.315531|3.842997|4.645196|0.080609|2.877449|9.618800|8.693233|6.921756|17.591478|5.533982|3.922780|3.587619|3.238616|3.460138|0.045022|0.043783|0.045755|0.057037|0.077084|0.060631|0.049316|0.067690|0.057141|0.058924|0.074105|0.263725|0.126051|0.077800|0.077918|0.078737|0.070432|0.172127|0.211239|0.169715|0.141362|0.302465|0.302749|0.500000| |1.684478|1.902973|2.116826|2.424963|2.430695|2.125773|1.909588|20.245426|4.541576|5.408237|6.153576|3.276802|2.906780|2.646709|2.654010|2.931928|3.308609|3.476068|4.160283|4.676813|3.327315|2.721178|2.374294|2.414236|2.841924|3.886323|0.070077|2.022049|7.748290|8.918733|6.307571|7.902987|17.552676|8.999090|7.082163|7.197284|5.499696|0.044425|0.044313|0.047170|0.057254|0.073872|0.057674|0.048647|0.077081|0.066658|0.066936|0.078112|0.105724|0.071660|0.060154|0.053977|0.055447|0.052202|0.150831|0.135757|0.185397|0.148247|0.205724|0.236895|0.152383|0.500000| |1.979939|2.290362|2.591038|3.061761|3.079538|2.613678|2.303007|26.263762|5.622596|6.934179|8.717668|4.458573|3.831650|3.300826|3.200363|3.547352|4.246740|4.283679|5.080417|5.224546|3.512146|2.814818|2.491453|2.603354|3.168837|4.498044|0.080717|2.089342|10.290113|8.954019|5.499253|6.836341|17.517137|8.873184|5.488532|7.492797|6.628568|0.051616|0.051723|0.055382|0.069134|0.094380|0.070145|0.057705|0.101725|0.081229|0.077844|0.090161|0.109025|0.072360|0.064888|0.055933|0.056103|0.054322|0.230238|0.123631|0.138960|0.140095|0.206497|0.163529|0.141351|0.306897|0.500000| |1.453131|1.611350|1.739153|1.936173|1.974539|1.796465|1.635873|16.026540|3.773249|4.096222|4.768229|2.728914|2.520814|2.446309|2.548488|2.767346|2.885192|2.958950|3.294137|3.879921|2.730230|2.341817|2.118439|2.172303|2.492907|3.453188|0.063626|1.844620|5.270589|5.235219|5.430180|4.411326|6.915005|8.723260|17.536854|6.844456|5.499002|0.038301|0.038842|0.040677|0.046938|0.057040|0.049622|0.042528|0.065730|0.062703|0.066818|0.076764|0.082146|0.061815|0.055316|0.048517|0.051447|0.048308|0.098371|0.117616|0.184883|0.146722|0.109310|0.136845|0.101915|0.218304|0.143879|0.500000| |1.469444|1.625958|1.729534|1.910363|1.974159|1.827458|1.667049|15.844188|3.788281|3.912858|4.791292|2.876964|2.733590|2.758523|2.931984|3.113424|3.086195|3.016935|3.165907|3.677822|2.495384|2.167971|2.022365|2.126440|2.450490|3.516228|0.065866|1.766821|4.789826|4.264375|4.483275|3.438479|5.444330|8.803226|17.551518|7.224804|6.848133|0.038437|0.039627|0.041127|0.046334|0.055262|0.050917|0.043668|0.070156|0.071087|0.078322|0.086961|0.072473|0.056437|0.055071|0.046161|0.048981|0.046984|0.090197|0.100138|0.136233|0.136244|0.087827|0.099276|0.082810|0.145943|0.124230|0.302412|0.500000| |1.474157|1.646828|1.757455|1.971486|2.064465|1.895538|1.702627|17.163424|4.154419|4.298269|5.143768|3.054145|2.759239|2.732786|2.979897|3.364562|3.427763|3.582973|3.935984|4.584615|3.110665|2.645315|2.425919|2.539420|2.968504|4.162508|0.075771|2.077871|5.951902|5.721712|7.105544|4.284183|6.432901|8.657792|17.605493|5.519534|6.950529|0.038776|0.039658|0.040862|0.046758|0.057296|0.053236|0.044458|0.069672|0.068621|0.078281|0.096689|0.090740|0.068209|0.064514|0.053655|0.057965|0.054630|0.105081|0.145206|0.229236|0.229406|0.102398|0.123331|0.103486|0.165092|0.133747|0.301536|0.303788|0.500000| |1.938298|2.187261|2.413465|2.707486|2.693241|2.392736|2.183184|21.009354|4.638821|5.176117|6.879159|3.910546|3.845886|3.519022|3.301452|3.348144|3.631080|3.300457|3.457520|3.774638|2.524566|2.144556|1.981937|2.097333|2.471948|3.629735|0.068208|1.715188|5.694004|4.558457|3.710431|3.810630|7.024485|8.714433|5.524294|17.541349|6.954039|0.049832|0.051244|0.055240|0.065093|0.080227|0.064155|0.055575|0.104759|0.090724|0.082526|0.084333|0.074676|0.055636|0.054068|0.045853|0.046298|0.045527|0.122350|0.086305|0.100463|0.103761|0.110498|0.102038|0.088042|0.173806|0.227099|0.139791|0.144866|0.122336|0.500000| |1.683460|1.865628|2.005561|2.203613|2.229775|2.044930|1.883844|17.331125|3.996263|4.230451|5.431401|3.236340|3.231762|3.187833|3.146703|3.154800|3.202518|2.938201|3.020016|3.407458|2.290995|1.983296|1.855078|1.963013|2.277569|3.338021|0.063344|1.623352|4.708476|3.903670|3.542060|3.252628|5.546435|8.753930|7.046637|17.553065|7.002640|0.043512|0.045136|0.047791|0.054070|0.063972|0.055867|0.048892|0.085697|0.083822|0.082126|0.082599|0.066856|0.051641|0.051101|0.043045|0.044291|0.043336|0.095344|0.081967|0.100083|0.102764|0.089457|0.090692|0.077105|0.145566|0.148020|0.169156|0.220378|0.144004|0.301773|0.500000| |1.665398|1.848415|2.028186|2.247366|2.225903|1.997196|1.839254|17.451051|3.940472|4.433416|5.367206|3.008455|2.891343|2.724965|2.666060|2.761328|2.940474|2.833911|3.068598|3.495989|2.421341|2.076101|1.895396|1.964473|2.269193|3.227075|0.060390|1.656642|5.064506|4.501750|3.846989|3.972081|7.071390|8.715738|6.964156|17.542503|5.523177|0.043449|0.044129|0.047374|0.055363|0.066955|0.053933|0.047291|0.078228|0.071010|0.068656|0.072602|0.072811|0.054725|0.050467|0.044280|0.045349|0.043696|0.103826|0.088451|0.112144|0.104025|0.111574|0.114924|0.090197|0.218805|0.187146|0.203903|0.178508|0.140214|0.301503|0.301992|0.500000| 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