Version2.1 2021-01-13T17:36:02Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 23-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc(s1)S(=O)(=O)NC[C@H](c2ccc(cc2)N(C)C)[NH+]3CCc4ccccc4C3 C22666406 RHF 6-31G(d) (6D,7F) CCc1ccc(s1)S(=O)(=O)NC[C@H](c2ccc(cc2)N(C)C)[NH+]3CCc4ccccc4C3 C01[X(C25H32N3O2S2)] 186 C1 552 CCc1ccc(s1)S(=O)(=O)NC[C@@H]([NH+]1CCc2c(C1)cccc2)c1ccc(cc1)N(C)C CCc1ccc(s1)S(=O)(=O)NC[C@@H]([NH+]1CCc2c(C1)cccc2)c1ccc(cc1)N(C)C CCc1sc(cc1)[S](=O)(=O)NC[C@@H]([NH+]2CCc3ccccc3C2)c4ccc(cc4)N(C)C InChIKey=FJXMUYFBKARRFH-XMMPIXPASA-O InChI=1S/C25H31N3O2S2/c1-4-23-13-14-25(31-23)32(29,30)26-17-24(20-9-11-22(12-10-20)27(2)3)28-16-15-19-7-5-6-8-21(19)18-28/h5-14,24,26H,4,15-18H2,1-3H3/p+1/t24-/m1/s1 InChI=1/C25H31N3O2S2/c1-4-23-13-14-25(31-23)32(29,30)26-17-24(20-9-11-22(12-10-20)27(2)3)28-16-15-19-7-5-6-8-21(19)18-28/h5-14,24,26H,4,15-18H2,1-3H3/p+1/t24-/m1/s1/fC25H32N3O2S2/h28H/q+1 CCc1ccc(s1)S(=O)(=O)NC[C@H](c2ccc(cc2)N(C)C)[NH+]3CCc4ccccc4C3 C01[X(C25H32N3O2S2)] 186 C01 552 CCc1ccc(s1)S(=O)(=O)NC[C@@H]([NH+]1CCc2c(C1)cccc2)c1ccc(cc1)N(C)C CC[C]1=[CH][CH]=C(S1)[S@@]([O])(=O)NC[C@@H]([NH]1CC[C]2[C]([CH][CH][CH][CH]2)C1)[C]1[CH][CH][C]([CH][CH]1)N(C)C CCc1sc(cc1)[S]([O])(=O)NC[C@H]([C]2[CH][CH][C]([CH][CH]2)N(C)C)[NH]3CC[C]4[CH][CH][CH][CH][C]4C3 InChIKey=MYAQAPPLZUDNEP-XMMPIXPASA-N InChI=1S/C25H32N3O2S2/c1-4-23-13-14-25(31-23)32(29,30)26-17-24(20-9-11-22(12-10-20)27(2)3)28-16-15-19-7-5-6-8-21(19)18-28/h5-14,24,26,28H,4,15-18H2,1-3H3/t24-/m1/s1 InChI=1/C25H32N3O2S2/c1-4-23-13-14-25(31-23)32(29,30)26-17-24(20-9-11-22(12-10-20)27(2)3)28-16-15-19-7-5-6-8-21(19)18-28/h5-14,24,26,28H,4,15-18H2,1-3H3/t24-/m1/s1 3611.7218255539 -2073.134817 1-A 21430.5317 125 427 552 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.30415 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4.0775 10.0624 8.7085 0.8684 0.5851 7.1356 8.4316 13.1080 8.2886 2.4917 4.9302 1.0200 35.5526 38.8988 19.7505 34.3223 55.6753 7.3925 62.3147 9.0379 73.8829 4.2873 87.8180 30.6583 1.1904 1.1534 4.3474 0.2602 52.7503 26.6157 1.3209 127.5637 26.4340 12.5357 239.2465 29.1457 8.1712 107.0703 3.9525 7.9661 29.9024 17.4737 4.9532 10.6044 1.9148 2.5891 4.1119 21.7492 3.7995 25.7030 108.9695 13.7338 0.0595 0.6623 25.9078 11.7392 33.6867 22.9872 16.2660 5.7121 2.1088 116.4439 8.6865 0.5399 44.4990 226.6175 71.9616 11.7008 35.6934 91.7834 66.9064 0.2242 2.5117 18.5772 8.8343 6.8553 16.9081 0.4525 18.6473 1.5926 6.5512 24.3894 10.0019 119.3224 65.1475 12.3338 10.5408 21.7396 16.3724 372.3748 15.3821 3.1879 19.7673 16.8905 1.7288 52.3120 105.6812 21.1342 0.6823 7.0008 24.8128 5.1056 54.0349 55.8995 1.9109 1.7718 58.6025 45.2585 10.9013 33.9837 0.7222 10.6459 1.4182 16.8343 31.9220 254.3036 11.8157 15.8111 0.8032 285.3255 2.9709 65.9014 14.0605 37.6940 28.7803 21.9500 35.0683 7.5547 21.5103 2.5892 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1.00783 1.00783 1.00783 12530.4929 26995.0095 37200.9446 0.99987 -0.01599 -0.00109 0.01599 0.99987 -0.00076 0.00110 0.00074 1.00000 1 0.00691 0.00321 0.00233 0.14403 0.06685 0.04851 9.99 20.12 25.75 37.09 39.58 53.54 58.08 72.22 80.56 107.80 129.66 136.22 146.14 171.39 187.98 210.24 231.02 244.69 291.75 306.69 325.92 330.21 340.85 358.96 388.91 405.27 422.06 440.77 460.99 471.67 509.21 541.79 564.12 586.82 625.56 653.39 666.16 677.33 695.59 705.23 741.35 746.80 774.43 786.78 794.20 855.75 864.35 870.79 882.30 914.57 928.21 958.99 992.75 1006.57 1016.30 1053.54 1091.81 1122.18 1155.96 1160.35 1164.64 1224.20 1233.00 1234.88 1300.91 1304.97 1321.71 1330.51 1355.28 1357.56 1391.31 1427.45 1470.91 1488.79 1496.31 1522.24 1523.42 1524.92 1553.57 1565.64 1577.77 1585.16 1592.36 1599.77 1613.00 1640.39 1650.97 1666.51 1689.13 1691.64 1694.80 1716.15 1729.23 1753.01 1777.45 1783.71 1794.24 1798.30 1811.27 1813.63 1824.04 1844.16 1870.80 1875.08 1882.17 1892.96 1899.75 1940.82 1955.22 1960.18 1968.79 1998.36 2016.48 2026.34 2040.59 2064.69 2113.65 2122.37 2130.23 2145.45 2152.23 2174.56 2178.43 2193.17 2203.91 2225.18 2245.09 2252.92 2259.50 2288.80 2295.07 2320.89 2341.13 2344.89 2347.77 2353.19 2358.79 2359.05 2360.08 2360.16 2364.15 2371.40 2379.29 2382.16 2392.47 2394.11 2407.12 2419.22 2454.96 2516.88 2536.39 2575.12 2595.06 2606.84 4598.11 4609.81 4610.11 4625.74 4634.56 4676.53 4685.64 4688.65 4689.63 4694.37 4695.11 4707.25 4727.09 4727.34 4735.35 4781.62 4783.17 4808.65 4810.00 4832.38 4837.11 4839.28 4842.96 4860.58 4873.83 4895.48 4899.42 4929.95 4937.52 4938.93 5301.98 5523.91 0.580483 0.610274 0.611219 0.513359 -2072.554334 -2072.524543 -2072.523598 -2072.621459 3.282274D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE CCc1ccc(s1)S(=O)(=O)NC[C@H](c2ccc(cc2)N(C)C)[NH+]3CCc4ccccc4C3 C22666406 RHF 6-31G(d) (6D,10F) C1 470.193596 |X|Y|Z| 80.446066 118.796607 29.091238 65.266504 25 6 7 16 21 2 2 |36.858105| |12.421064|36.858105| |7.494600|12.645981|36.858105| |5.363986|7.427962|14.105497|36.858105| |4.088782|5.032075|8.195621|13.322252|36.858105| |4.050627|4.822532|7.701414|8.266463|14.137992|36.858105| |5.502852|6.743236|10.972936|7.448040|7.419391|10.984870|388.023441| |3.032850|3.380876|4.543937|4.780557|6.946986|10.933208|44.312806|388.023441| |2.990182|3.163600|4.033134|3.961433|5.066914|7.376691|41.196477|94.621209|73.516695| |2.670472|2.953788|3.850438|4.373420|6.489185|7.467053|32.348732|95.052144|13.546551|73.516695| |2.701485|3.080648|3.933203|3.987708|5.178731|7.058920|37.482974|82.365389|13.823576|13.678906|53.358707| |2.496165|2.775220|3.353304|3.237208|3.864413|5.042233|32.243549|49.702959|11.943645|9.117234|17.997568|36.858105| |2.077561|2.269480|2.656938|2.627481|3.089053|3.727174|23.657703|36.005256|8.860494|7.771359|10.376383|12.268636|36.858105| |1.974855|2.181454|2.527275|2.516378|2.917854|3.406854|21.779630|30.834615|7.199654|6.946818|8.915489|8.826903|17.598975|0.500000| |1.954464|2.109128|2.480055|2.522541|3.027188|3.553844|21.449326|36.271087|8.904461|8.710828|8.850829|7.363663|12.649337|0.249206|36.858105| |1.780085|1.928958|2.246800|2.330630|2.776692|3.105424|18.607905|29.719673|6.894138|7.813985|6.962860|5.190201|7.585841|0.206117|13.715253|36.858105| |1.665620|1.785215|2.066710|2.171549|2.579285|2.805306|16.717765|26.227980|6.162974|7.342819|5.526223|3.935094|5.022909|0.134136|7.871541|13.820410|36.858105| |1.681562|1.775525|2.056143|2.158559|2.569325|2.804879|16.695296|26.556261|6.541728|7.534820|5.151837|3.656110|4.386236|0.110337|6.714069|7.862674|13.550781|36.858105| |1.831067|1.918175|2.237724|2.315643|2.775185|3.139140|18.740328|31.215737|8.276848|8.407767|5.842406|4.259817|5.002792|0.116550|7.882120|6.921263|7.943350|13.518123|36.858105| |1.985321|2.099310|2.471053|2.511864|3.026393|3.576392|21.508687|37.614751|10.313753|9.139401|7.626121|5.998092|7.494084|0.155105|13.666822|8.015597|6.904253|7.851040|13.858886|36.858105| |1.554237|1.626890|1.862640|1.967093|2.306459|2.452896|14.768728|22.085785|5.458023|6.348795|4.142744|2.913662|3.337207|0.086245|4.532952|5.181982|7.871236|13.953330|7.870996|5.182319|53.358707| |1.442613|1.517764|1.723905|1.833521|2.125629|2.210436|13.385591|19.175336|4.607775|5.539316|3.665592|2.556639|2.908935|0.078134|3.746640|4.527925|6.731840|7.819666|5.092947|3.919787|17.881320|36.858105| |1.552346|1.602114|1.825893|1.924245|2.239711|2.373541|14.418383|21.000390|5.360142|5.989029|3.761556|2.644698|2.905291|0.074020|3.748457|3.921646|5.093790|7.813862|6.732590|4.533222|17.867238|7.637444|36.858105| |1.931259|2.065394|2.345752|2.271003|2.576176|3.063976|20.728414|27.537019|7.376490|5.975012|6.805718|7.549643|12.364497|0.253498|7.655117|5.421047|4.069597|3.750851|4.337781|6.079499|4.052844|2.596522|2.664012|53.358707| |1.965689|2.071945|2.355156|2.271505|2.581782|3.099301|21.047035|28.302635|8.090759|6.081174|6.508288|6.909789|9.238822|0.182522|7.287637|4.982572|3.961408|3.871688|4.753886|6.871919|4.191633|2.618529|2.820482|25.682226|0.500000| |1.973643|2.114098|2.352315|2.223124|2.448926|2.903373|20.808519|24.269779|6.468137|5.164755|5.929811|6.464388|7.386895|0.188293|4.925838|3.923328|3.120882|2.904105|3.266625|4.213528|3.286688|2.161791|2.209871|17.260254|0.258435|36.858105| |1.823161|1.910060|2.079838|1.955560|2.117204|2.468120|18.051698|20.107849|5.519883|4.366983|4.536972|4.454581|4.897302|0.125224|3.849448|3.191024|2.684088|2.576645|2.902376|3.566747|2.997092|1.972576|2.057003|10.447702|0.205557|12.514882|36.858105| |1.611401|1.680106|1.825417|1.745612|1.896010|2.166676|15.442636|17.806220|4.833600|4.008298|3.937936|3.667516|4.342355|0.113794|3.709071|3.197962|2.744893|2.633467|2.910874|3.459052|3.088995|2.040438|2.106913|9.055947|0.180114|7.527058|12.600234|36.858105| |1.482141|1.529759|1.639032|1.565602|1.679686|1.893325|13.628408|15.213319|4.127030|3.467079|3.265443|2.912934|3.299619|0.087752|2.950340|2.629496|2.338785|2.276566|2.484053|2.834028|2.744347|1.832234|1.900722|6.110710|0.125717|4.990928|7.561810|13.686336|36.858105| |1.350737|1.391138|1.488397|1.435722|1.541200|1.715538|12.189257|13.785226|3.704207|3.206361|2.921325|2.530579|2.902391|0.078133|2.711299|2.493808|2.271987|2.217982|2.373776|2.624476|2.716536|1.829407|1.881349|5.101698|0.104908|3.864776|5.023463|7.909228|13.807979|36.858105| |1.322100|1.368107|1.475368|1.438334|1.557981|1.727021|12.036518|14.079165|3.746429|3.324393|2.994878|2.570649|3.058009|0.082937|2.948979|2.773402|2.545999|2.465501|2.594110|2.829999|3.015184|2.035160|2.057698|5.303779|0.107750|3.738039|4.435168|6.843395|7.946169|13.711206|36.858105| |1.410390|1.471238|1.605474|1.572748|1.724338|1.925076|13.219466|16.042950|4.247984|3.789059|3.483502|3.041033|3.825204|0.103632|3.702563|3.464157|3.096670|2.939004|3.092601|3.450454|3.492302|2.332951|2.327944|6.896510|0.136401|4.506350|5.018660|7.916736|6.897683|7.956792|13.813753|36.858105| |1.563318|1.639807|1.801279|1.749989|1.927099|2.189514|15.133688|18.449387|4.928023|4.245215|4.122561|3.791772|4.921018|0.130333|4.398375|3.861301|3.272882|3.078830|3.348449|3.975208|3.550473|2.338019|2.363727|10.359199|0.195877|6.704706|7.571555|13.745821|7.950546|6.870556|7.920567|13.680581|36.858105| |1.678598|1.784902|1.997439|1.959930|2.201112|2.524764|16.956811|22.068606|5.764734|5.080023|5.181320|4.926927|7.576251|0.199857|6.471636|5.449633|4.219398|3.779011|4.103920|5.191526|4.143647|2.701831|2.667301|17.258531|0.259665|7.804088|6.454717|7.520572|5.013487|4.447955|5.053002|7.647808|12.605750|36.858105| |17.568947|8.817680|5.491073|4.273721|3.367653|3.319211|30.564215|18.482467|4.570851|4.131721|3.232741|2.229565|1.887499|0.050230|1.773743|1.627921|1.527260|1.537383|1.662277|1.793537|1.944699|1.334221|1.426614|2.414869|0.049995|1.827705|1.705182|1.513774|1.403671|1.282565|1.251446|1.326672|1.463246|1.557870|0.500000| |17.573434|8.774251|6.811092|5.501461|4.198072|4.002948|35.355471|21.432920|5.274040|4.832231|3.551370|2.378868|2.003343|0.052739|1.918279|1.756527|1.661714|1.691417|1.839157|1.969094|2.143802|1.461963|1.585495|2.523570|0.052664|1.866632|1.728178|1.543704|1.422096|1.304405|1.283203|1.369514|1.508792|1.622410|0.301144|0.500000| |17.565718|8.741666|6.724376|4.780146|3.930911|4.148094|42.778421|22.588826|5.776122|4.845690|3.837176|2.655607|2.189057|0.057175|2.045814|1.838194|1.712236|1.737483|1.915269|2.094739|2.174728|1.470491|1.600267|2.799460|0.058654|2.113654|1.964239|1.720261|1.581010|1.431787|1.394084|1.485739|1.655929|1.770476|0.301682|0.301559|0.500000| |8.837128|17.570145|9.052374|7.128391|4.687361|4.199180|36.580488|21.602442|4.966372|4.896304|3.805419|2.501389|2.090495|0.056432|1.962515|1.823475|1.700575|1.685023|1.797074|1.943881|2.118100|1.465843|1.530564|2.582864|0.052594|1.932165|1.749094|1.556227|1.422985|1.303317|1.286829|1.381682|1.528185|1.662788|0.213716|0.210608|0.172663|0.500000| |8.828701|17.547610|8.938609|5.775344|4.345771|4.386404|45.199513|22.851548|5.389486|4.924061|4.173950|2.834127|2.307445|0.062059|2.102904|1.918352|1.757565|1.733136|1.870561|2.067427|2.150973|1.476558|1.545921|2.883632|0.058605|2.211447|1.995487|1.738121|1.582388|1.430580|1.399208|1.502070|1.682543|1.824811|0.213084|0.172871|0.210122|0.304060|0.500000| |4.968594|6.629020|8.916412|17.749779|8.619636|5.747169|37.675317|27.514500|5.831528|6.648828|4.541469|2.770388|2.323240|0.062532|2.254305|2.122852|2.003847|1.989563|2.101951|2.241271|2.502906|1.735575|1.803453|2.761362|0.056208|1.987945|1.766647|1.594354|1.441622|1.331419|1.335993|1.453569|1.601926|1.781901|0.115210|0.146914|0.117681|0.206567|0.143291|0.500000| |3.401123|4.016304|5.708506|8.572988|17.766427|8.931402|37.605593|45.547114|8.182290|12.879775|6.587406|3.585205|2.995243|0.079266|3.038088|2.864786|2.716488|2.706762|2.862549|3.039677|3.338973|2.281708|2.374457|3.369056|0.068720|2.310872|2.002688|1.822771|1.617670|1.498076|1.527714|1.695371|1.876478|2.154104|0.080376|0.098689|0.090590|0.108443|0.098375|0.201226|0.500000| |2.513527|2.898919|3.655311|3.848797|4.995027|6.071764|31.971551|60.491479|10.234353|13.242158|25.972258|8.994027|6.922437|0.186732|6.265702|5.505983|4.322061|3.838920|4.100612|5.075199|4.216056|2.810814|2.748050|6.134605|0.116017|3.930945|3.034331|2.703488|2.259853|2.049124|2.122910|2.474292|2.878961|3.645976|0.062015|0.067790|0.071488|0.074814|0.080085|0.091743|0.136754|0.500000| |2.537881|2.866501|3.394415|3.197466|3.661748|4.652455|32.283866|39.283673|9.282181|7.509104|12.611302|17.604711|8.793542|0.224054|5.478607|4.305001|3.348310|3.074997|3.449629|4.521391|3.440760|2.273461|2.306818|9.079639|0.160898|6.953425|4.606267|3.648167|2.915263|2.501552|2.500717|2.914035|3.644654|4.560226|0.063484|0.066037|0.074855|0.071632|0.083443|0.076342|0.092844|0.207906|0.500000| |2.617831|2.838182|3.411686|3.213794|3.787410|5.086134|34.332059|50.001587|14.881566|8.716778|12.706762|17.642986|8.733510|0.174477|6.357374|4.454566|3.581794|3.510640|4.288245|6.073551|3.863748|2.448754|2.652733|9.767489|0.211194|6.332418|4.697139|3.765965|3.012805|2.587074|2.587442|3.015649|3.766781|4.631361|0.064570|0.069295|0.079035|0.069961|0.080136|0.075902|0.095924|0.179894|0.302482|0.500000| |1.728776|1.890844|2.185151|2.264877|2.660225|2.932039|17.842118|26.686083|6.054046|6.920838|6.516665|4.885002|7.025724|0.228910|8.896008|17.679052|9.022343|5.628791|4.974258|5.665707|5.724638|3.964227|3.281483|6.946077|0.123489|3.899617|3.125673|3.131945|2.581951|2.451536|2.725117|3.393514|3.771376|5.316675|0.044157|0.047130|0.049308|0.049944|0.052640|0.057684|0.076087|0.150163|0.119417|0.112712|0.500000| |1.558139|1.672840|1.919119|2.028467|2.378982|2.527519|15.194712|22.607828|5.244038|6.382154|4.741571|3.344133|4.122871|0.115711|5.648418|9.031078|17.792646|8.827238|5.631465|4.974918|9.675172|7.623829|4.627074|4.693252|0.091975|2.760958|2.405498|2.479491|2.149749|2.114308|2.377278|2.847326|2.935904|3.664215|0.039916|0.043235|0.044188|0.044652|0.045775|0.052634|0.070190|0.105197|0.081858|0.084381|0.221022|0.500000| |1.825067|1.883670|2.184355|2.253761|2.675457|3.008553|18.199224|29.013049|8.075968|7.761380|5.113334|3.715015|4.101271|0.096658|5.653443|4.984275|5.634489|8.821873|17.798002|9.056549|9.688573|4.631209|7.638193|5.096954|0.116847|2.944454|2.700340|2.704748|2.359111|2.263906|2.445011|2.837273|3.030577|3.525945|0.046020|0.051287|0.053231|0.048960|0.050710|0.057009|0.076422|0.098080|0.085355|0.107965|0.108005|0.123317|0.500000| |2.121574|2.217797|2.611396|2.602609|3.111592|3.789897|23.433553|39.911035|12.668561|8.869412|7.626200|6.308894|6.864103|0.138960|8.843975|5.660502|4.968463|5.633190|9.067123|17.699141|5.737148|3.285686|3.980305|8.378555|0.214534|4.432899|3.832712|3.590113|2.944895|2.672626|2.806319|3.346341|3.935399|4.862545|0.052972|0.058302|0.063057|0.056343|0.060678|0.063837|0.084700|0.131978|0.130811|0.202087|0.123826|0.107900|0.222613|0.500000| |1.378888|1.453753|1.640408|1.731102|1.988157|2.076869|12.758379|17.868075|4.306200|5.026149|3.518947|2.506574|2.921471|0.079845|3.720296|4.651639|6.862061|6.901011|4.621835|3.737631|12.345274|17.571346|5.781057|3.600595|0.073182|2.199842|2.012109|2.112661|1.898636|1.914418|2.160220|2.493021|2.457395|2.839780|0.035568|0.038597|0.039075|0.039005|0.039553|0.045533|0.058711|0.075255|0.062512|0.066169|0.116515|0.239223|0.114141|0.086842|0.500000| |1.369033|1.430010|1.611696|1.713337|1.964652|2.025343|12.394069|17.187885|4.175411|4.926811|3.231413|2.259967|2.519319|0.067597|3.134256|3.617332|4.897857|5.739806|4.243428|3.331519|12.520019|17.659457|7.533634|3.123796|0.064751|1.946050|1.801831|1.866557|1.699157|1.706579|1.888849|2.127796|2.112561|2.382401|0.035291|0.038692|0.038711|0.038481|0.038551|0.045357|0.058539|0.068219|0.056390|0.060855|0.089961|0.148560|0.113740|0.080344|0.303470|0.500000| |1.488504|1.578392|1.803304|1.941721|2.268461|2.326419|13.868379|20.078046|4.682147|5.972506|3.833561|2.602764|2.913637|0.079249|3.707726|4.566767|6.620222|6.865407|4.674918|3.763469|12.253293|17.522304|6.084981|3.448417|0.070173|2.129118|1.918193|1.956318|1.750845|1.732876|1.909031|2.184471|2.220552|2.590101|0.038172|0.041972|0.041895|0.042543|0.042530|0.051245|0.068670|0.083318|0.064483|0.068355|0.113750|0.220092|0.116518|0.087908|0.300072|0.301657|0.500000| |1.666474|1.716722|1.974354|2.098674|2.471711|2.609507|15.573319|23.256148|5.925874|6.826305|3.994082|2.738592|2.913174|0.073585|3.717313|3.772534|4.686298|6.875970|6.633845|4.584509|12.253264|6.075910|17.530084|3.573951|0.077546|2.196540|2.030765|2.041365|1.837184|1.796771|1.937145|2.181550|2.254337|2.551947|0.042288|0.047601|0.047680|0.045508|0.045644|0.054512|0.073425|0.080523|0.065947|0.076884|0.087868|0.116594|0.220971|0.114719|0.130087|0.164293|0.152867|0.500000| |1.446492|1.488952|1.681267|1.775843|2.040628|2.129142|13.068819|18.257399|4.614011|5.188508|3.287795|2.310751|2.517367|0.065295|3.135219|3.332228|4.244272|5.738352|4.898032|3.620155|12.518291|7.541160|17.659231|3.175461|0.067925|1.974757|1.854160|1.907590|1.743222|1.740255|1.902203|2.122708|2.126943|2.361094|0.037127|0.041138|0.041227|0.039761|0.039893|0.046699|0.060285|0.067274|0.056952|0.064139|0.080227|0.113661|0.148731|0.090244|0.158201|0.252652|0.165040|0.301649|0.500000| |1.534027|1.571650|1.780137|1.851118|2.134752|2.293033|14.201578|20.251863|5.349023|5.556743|3.647160|2.634888|2.911370|0.073240|3.716374|3.735033|4.614061|6.881053|6.850043|4.648724|12.338471|5.788477|17.572754|3.750625|0.082606|2.277772|2.155298|2.229671|2.020710|2.009150|2.202110|2.482577|2.502620|2.775663|0.039227|0.043388|0.044237|0.041493|0.042283|0.048007|0.061876|0.072750|0.063838|0.074682|0.086755|0.113939|0.239066|0.116656|0.136501|0.158607|0.130227|0.300067|0.303457|0.500000| |1.877476|2.032334|2.246465|2.139238|2.340974|2.718970|19.357503|22.235803|5.677647|4.847887|5.528083|5.655179|6.658475|0.198611|4.525537|3.847659|3.041151|2.749832|2.981784|3.724097|3.138181|2.106835|2.085501|12.441608|0.182155|17.610115|8.762541|6.574024|4.622844|3.707495|3.642097|4.386843|6.229355|7.370362|0.048602|0.049265|0.055224|0.052112|0.059361|0.053593|0.061791|0.106450|0.179170|0.142256|0.111571|0.076324|0.074125|0.104329|0.060142|0.052615|0.058034|0.057307|0.052241|0.059094|0.500000| |2.209918|2.382594|2.665797|2.471713|2.712282|3.293052|24.376252|27.021615|7.260082|5.516370|6.690688|7.692884|6.996045|0.173000|4.640979|3.658743|2.944740|2.776147|3.157598|4.082249|3.159432|2.076142|2.149769|12.260242|0.215955|17.712448|8.890597|5.531479|4.106977|3.260818|3.121326|3.620791|4.923096|5.645626|0.056476|0.057472|0.066322|0.059700|0.069850|0.060617|0.069740|0.118474|0.254583|0.219340|0.100244|0.072398|0.080034|0.123169|0.057936|0.052124|0.057334|0.060258|0.053367|0.061189|0.301516|0.500000| |1.795047|1.881267|2.017339|1.881941|2.005342|2.313551|17.279696|18.241742|4.925862|3.975767|4.088947|3.879634|4.067560|0.108555|3.242282|2.778365|2.368409|2.264522|2.505359|3.000125|2.676169|1.786759|1.845031|7.633099|0.146844|8.989501|17.571557|8.866031|6.958317|4.673230|3.972502|4.243423|5.751838|4.971183|0.047021|0.046939|0.053662|0.047932|0.055158|0.047457|0.052477|0.076865|0.116331|0.111794|0.076984|0.059937|0.065261|0.088684|0.050641|0.045632|0.048556|0.050753|0.046659|0.053354|0.218376|0.210990|0.500000| |1.909793|1.974764|2.149332|2.004426|2.167305|2.551351|18.917500|20.787058|5.926226|4.455187|4.524287|4.394142|4.560057|0.111647|3.723509|3.029870|2.598036|2.562573|2.958922|3.637019|2.995565|1.948261|2.092557|9.123975|0.207738|8.896427|17.514895|8.890657|6.570331|4.567618|4.001362|4.386947|6.075020|5.364728|0.049458|0.050323|0.057797|0.049845|0.057082|0.050078|0.056588|0.082299|0.122525|0.137570|0.080496|0.064220|0.078061|0.113359|0.054618|0.049711|0.052483|0.057815|0.052218|0.061423|0.173666|0.222661|0.304700|0.500000| |1.493832|1.533474|1.627485|1.541480|1.637557|1.844521|13.511185|14.562696|3.965639|3.295751|3.095296|2.741488|2.982514|0.079304|2.648073|2.357620|2.109167|2.065696|2.260000|2.568021|2.510472|1.681500|1.756765|5.331874|0.110621|4.563300|7.029959|8.911815|17.707411|8.944121|5.649592|4.964029|5.653306|4.081660|0.039468|0.039651|0.044433|0.039536|0.044268|0.039455|0.043548|0.059236|0.077320|0.079645|0.064401|0.054061|0.060247|0.075109|0.048054|0.043565|0.044884|0.047561|0.044939|0.051729|0.117144|0.109724|0.204314|0.181892|0.500000| |1.277156|1.308553|1.389304|1.338923|1.427030|1.577427|11.273328|12.513059|3.356851|2.922931|2.618104|2.230332|2.499511|0.067544|2.356341|2.189847|2.024151|1.989605|2.117142|2.304422|2.473254|1.677868|1.729961|4.232347|0.087476|3.234385|4.098252|5.635904|8.943598|17.732446|8.899283|5.655291|4.951918|3.556031|0.033845|0.034286|0.037570|0.034139|0.037380|0.034643|0.038540|0.051141|0.061524|0.063509|0.059902|0.052788|0.056707|0.065365|0.048655|0.043859|0.044199|0.045978|0.044826|0.051288|0.086858|0.078319|0.110569|0.107067|0.215933|0.500000| |1.235055|1.275095|1.370770|1.342858|1.451111|1.593616|11.062174|12.912063|3.413856|3.086772|2.714208|2.279929|2.681415|0.073247|2.647806|2.550274|2.398198|2.333621|2.413336|2.564032|2.910174|1.987481|1.993495|4.441175|0.090459|3.104326|3.547945|4.937994|5.649763|8.893391|17.735117|8.943040|5.639218|4.122906|0.032559|0.033415|0.036040|0.033467|0.036118|0.034833|0.039726|0.053856|0.061504|0.063534|0.069752|0.063109|0.063665|0.070024|0.058985|0.051679|0.051521|0.051764|0.051743|0.059299|0.084940|0.073967|0.090434|0.091042|0.124204|0.214263|0.500000| |1.370362|1.433201|1.570527|1.553864|1.713521|1.897976|12.826787|15.932635|4.163097|3.836167|3.448099|2.939707|3.764549|0.103367|3.836248|3.757911|3.429618|3.211076|3.271847|3.546587|3.826947|2.577402|2.501782|6.334359|0.124291|3.946928|4.091139|5.636389|4.963552|5.653722|8.947934|17.701244|8.892672|7.134417|0.035769|0.037136|0.039890|0.037563|0.040446|0.040029|0.047231|0.068999|0.077279|0.079784|0.102370|0.088530|0.082330|0.092365|0.078007|0.064895|0.066326|0.064109|0.063498|0.073914|0.108603|0.090460|0.097880|0.101748|0.107690|0.124281|0.215963|0.500000| |1.637852|1.735420|1.953642|1.941368|2.203582|2.509158|16.455697|22.419318|5.850463|5.315532|5.111268|4.598505|7.105489|0.180390|7.594369|6.612012|5.184602|4.628878|4.976949|6.172855|4.922402|3.142870|3.089399|12.388349|0.227046|5.666625|4.926325|5.697416|4.236937|3.994696|4.736803|7.132052|8.869970|17.699044|0.042125|0.044349|0.047828|0.045082|0.048797|0.049176|0.060671|0.100987|0.113157|0.120954|0.167021|0.121149|0.114907|0.149823|0.092668|0.075836|0.082143|0.080569|0.074958|0.089873|0.147483|0.126633|0.109756|0.123324|0.097523|0.090874|0.112253|0.213170|0.500000| 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