Version2.1 2020-12-17T05:47:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 12-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)CCN(c1nc2ccc(cc2s1)S(=O)(=O)C)C(=O)c3ccc(cc3)S(=O)(=O)C C10818750 RHF 6-31G(d) (6D,7F) CC[NH+](CC)CCN(c1nc2ccc(cc2s1)S(=O)(=O)C)C(=O)c3ccc(cc3)S(=O)(=O)C C01[X(C22H28N3O5S3)] 177 C1 563 CC[NH+](CCN(C(=O)c1ccc(cc1)S(=O)(=O)C)c1nc2c(s1)cc(cc2)S(=O)(=O)C)CC CC[NH+](CCN(C(=O)c1ccc(cc1)S(=O)(=O)C)c1nc2c(s1)cc(cc2)S(=O)(=O)C)CC CC[NH+](CC)CCN(C(=O)c1ccc(cc1)[S](C)(=O)=O)c2sc3cc(ccc3n2)[S](C)(=O)=O InChIKey=NGMBJTBKLGTPLD-UHFFFAOYSA-O InChI=1S/C22H27N3O5S3/c1-5-24(6-2)13-14-25(21(26)16-7-9-17(10-8-16)32(3,27)28)22-23-19-12-11-18(33(4,29)30)15-20(19)31-22/h7-12,15H,5-6,13-14H2,1-4H3/p+1 InChI=1/C22H27N3O5S3/c1-5-24(6-2)13-14-25(21(26)16-7-9-17(10-8-16)32(3,27)28)22-23-19-12-11-18(33(4,29)30)15-20(19)31-22/h7-12,15H,5-6,13-14H2,1-4H3/p+1/fC22H28N3O5S3/h24H/q+1 CC[NH+](CC)CCN(c1nc2ccc(cc2s1)S(=O)(=O)C)C(=O)c3ccc(cc3)S(=O)(=O)C C01[X(C22H28N3O5S3)] 177 C01 563 CC[NH+](CCN(C(=O)c1ccc(cc1)S(=O)(=O)C)c1nc2c(s1)cc(cc2)S(=O)(=O)C)CC CC[NH](CCN(C(=O)[C]1[CH][CH][C]([CH][CH]1)S(=O)(=O)C)[C]1[N][C]2[C]([CH][C]([CH][CH]2)S(=O)(=O)C)S1)CC CC[NH](CC)CCN([C]1[N][C]2[CH][CH][C]([CH][C]2S1)[S](C)(=O)=O)C(=O)[C]3[CH][CH][C]([CH][CH]3)[S](C)(=O)=O InChIKey=XEZRPFQTONVNKT-UHFFFAOYSA-N InChI=1S/C22H28N3O5S3/c1-5-24(6-2)13-14-25(21(26)16-7-9-17(10-8-16)32(3,27)28)22-23-19-12-11-18(33(4,29)30)15-20(19)31-22/h7-12,15,24H,5-6,13-14H2,1-4H3 InChI=1/C22H28N3O5S3/c1-5-24(6-2)13-14-25(21(26)16-7-9-17(10-8-16)32(3,27)28)22-23-19-12-11-18(33(4,29)30)15-20(19)31-22/h7-12,15,24H,5-6,13-14H2,1-4H3 3935.9762271935 -2579.2576175 1-A 28324.4897 134 429 563 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0.7599 0.6502 0.4731 0.5097 0.8263 0.8471 0.6461 0.6493 0.3039 0.0137 0.0377 0.0894 0.1033 0.6748 0.5898 0.4481 0.8415 0.2177 0.7363 0.6494 0.1437 0.6931 0.7721 0.7649 0.8551 0.7099 0.8548 0.6659 0.5153 0.7088 0.6225 0.8031 0.4325 0.3050 0.3106 0.2933 0.2969 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 6 6 7 1 6 6 6 6 7 6 7 6 6 6 6 6 6 16 16 8 8 6 6 8 6 6 6 6 6 6 16 8 8 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 31.97207 15.99491 15.99491 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 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 8710.4949 44811.9598 51505.7701 0.99998 0.00665 0.00211 -0.00665 0.99997 0.00342 -0.00208 -0.00343 0.99999 1 0.00994 0.00193 0.00168 0.20719 0.04027 0.03504 18.28 27.97 33.16 37.25 41.63 47.51 63.77 87.76 92.12 111.83 121.03 140.41 146.71 179.54 186.24 205.43 214.93 231.76 280.87 291.41 308.02 321.20 325.85 330.09 356.13 359.44 371.24 402.76 438.04 459.62 466.21 476.85 489.76 507.13 525.97 555.22 586.56 614.08 625.29 647.32 653.61 660.41 697.98 702.08 708.07 721.79 766.53 770.15 796.49 823.31 834.51 853.59 913.65 943.25 964.63 988.87 1014.94 1056.59 1072.14 1135.07 1157.58 1175.88 1180.69 1198.06 1214.79 1237.27 1242.21 1253.77 1259.11 1304.58 1333.15 1354.10 1386.69 1392.94 1393.12 1435.20 1507.04 1517.26 1565.84 1570.44 1571.98 1572.86 1573.90 1579.36 1591.17 1592.79 1605.27 1617.57 1620.42 1633.59 1673.65 1684.44 1708.75 1712.45 1731.36 1746.59 1769.26 1781.28 1816.29 1820.44 1860.33 1872.91 1876.35 1882.70 1884.36 1907.88 1980.30 1988.60 2027.28 2038.12 2058.60 2074.93 2086.86 2093.88 2103.44 2106.40 2162.36 2189.47 2190.79 2192.06 2199.80 2219.84 2229.99 2239.22 2264.88 2271.11 2276.78 2283.17 2293.09 2293.27 2294.41 2294.89 2306.01 2347.60 2349.67 2353.05 2355.68 2359.07 2363.47 2384.60 2388.83 2403.93 2409.87 2453.68 2532.64 2533.02 2590.60 2604.66 2872.73 4632.48 4634.56 4664.38 4665.35 4721.50 4724.63 4725.25 4732.75 4739.14 4759.86 4762.00 4780.40 4797.99 4805.37 4806.67 4820.25 4821.74 4822.60 4834.00 4852.71 4872.71 4874.72 4885.64 4906.17 4908.50 4912.61 4914.31 5305.44 0.527144 0.558428 0.559372 0.459856 -2578.730473 -2578.699190 -2578.698245 -2578.797762 3.337817D-04 MUNgauss RevisionA2.0 retrievium 17-Dec-2020 DUDE CC[NH+](CC)CCN(c1nc2ccc(cc2s1)S(=O)(=O)C)C(=O)c3ccc(cc3)S(=O)(=O)C C10818750 RHF 6-31G(d) (6D,10F) C1 510.119112 |X|Y|Z| 66.720925 152.053332 27.429307 65.286634 17 6 7 16 14 2 1 |36.858105| |12.529638|36.858105| |7.564385|12.566861|53.358707| |7.539401|9.287995|25.704522|0.500000| |5.930265|7.600439|17.171129|0.259106|36.858105| |4.416850|4.984876|10.293573|0.208217|12.525017|36.858105| |5.014059|7.632972|17.217498|0.257759|7.623288|5.967855|36.858105| |4.457951|5.923727|10.345902|0.210836|5.021439|4.489603|12.428792|36.858105| |3.453627|4.405797|6.863984|0.134269|3.839685|3.515409|7.692194|13.075071|53.358707| |3.372392|4.317726|6.005626|0.113726|3.426915|3.018170|6.068887|7.894929|18.532218|36.858105| |3.988679|5.327933|6.665217|0.122201|3.684048|3.084139|6.239211|7.166035|11.222147|14.905526|53.358707| |3.390540|4.231987|5.102915|0.094626|3.033862|2.572643|4.397347|4.713389|7.372121|8.667845|18.712444|36.858105| |3.456817|4.154397|4.699313|0.087029|2.874420|2.405216|3.742306|3.798075|5.447929|5.399970|10.516124|13.674788|36.858105| |2.812185|3.225803|3.775639|0.071004|2.405469|2.062505|2.976459|3.016844|4.396075|4.170662|7.030861|7.997146|13.850714|36.858105| |2.408216|2.750390|3.367239|0.063963|2.170048|1.904553|2.722801|2.813446|4.276696|4.082225|6.280601|6.931996|7.922700|13.621185|36.858105| |2.377604|2.760924|3.492492|0.066549|2.229003|1.978754|2.931307|3.112506|5.001495|5.002739|7.136419|7.865118|6.760509|7.845467|13.805094|36.858105| |2.741945|3.296383|4.203788|0.079516|2.595836|2.281758|3.674276|4.018915|6.805074|7.855454|11.107508|13.717961|7.894399|6.913318|8.059537|13.737664|36.858105| |2.607973|3.141882|4.298829|0.082712|2.646467|2.402113|3.983855|4.668085|9.305107|10.886389|10.017869|7.395549|4.867159|4.246172|4.704284|6.734362|10.897373|388.023441| |2.002309|2.218079|2.751309|0.052807|1.823406|1.627261|2.179731|2.229816|3.330134|2.981450|4.391352|4.210137|4.725172|6.936828|10.720009|6.987560|4.756440|24.387518|388.023441| |1.820818|2.025369|2.574673|0.049517|1.722359|1.557013|2.068741|2.119750|3.224103|2.850097|4.021953|3.708175|3.834389|4.956007|7.344790|6.543162|4.449906|24.456593|94.410065|73.516695| |1.998843|2.194143|2.686036|0.051294|1.804629|1.599505|2.086335|2.085958|3.036419|2.659719|3.998725|3.719556|4.431392|6.463784|7.342148|5.001246|3.874824|20.611058|94.405650|13.556147|73.516695| |1.893194|2.044212|2.535492|0.049495|1.672500|1.508562|1.981068|2.071723|3.060735|2.685868|3.917410|3.603056|3.983015|5.320754|6.768704|5.275123|3.971677|21.666348|76.345706|13.031599|13.031930|36.858105| |2.818359|3.388443|5.319400|0.107758|3.218012|3.131237|5.384131|7.606383|18.538107|7.834598|7.232660|4.118945|3.198668|2.729563|2.749282|3.249910|4.164045|43.558091|15.813214|3.922752|3.581165|2.069546|36.858105| |2.464716|2.897971|4.350042|0.087683|2.708920|2.627642|4.144270|5.346461|11.517515|6.979885|6.487832|4.007917|3.102940|2.727871|2.842618|3.465958|4.372136|50.631644|16.480743|4.163722|3.664418|2.165912|16.037875|73.516695| |2.687195|3.142235|5.187088|0.108684|3.274962|3.402916|5.011100|6.471168|10.379948|5.023683|5.392588|3.186084|2.626411|2.279895|2.271835|2.593713|3.152161|29.461149|13.491710|3.351779|3.110418|1.780771|12.676342|14.472476|36.858105| |2.413747|2.704777|4.328295|0.093370|2.784648|2.947329|3.837046|4.865400|7.252991|3.966547|4.448333|2.732098|2.308532|2.040605|2.043846|2.311389|2.730751|24.784209|12.372591|3.079004|2.850921|1.665060|7.686543|11.491037|13.714920|36.858105| |2.214470|2.428278|3.906611|0.084942|2.619708|2.882157|3.310883|3.885975|5.418357|3.130614|3.672010|2.306527|2.002597|1.791227|1.787333|1.987047|2.292129|19.920253|11.016375|2.745959|2.565490|1.486101|5.070597|7.966399|7.938336|13.767328|36.858105| |2.219806|2.447774|4.036125|0.086922|2.810107|3.212964|3.405350|3.735787|5.047971|2.933314|3.503950|2.202975|1.932006|1.728122|1.713989|1.889089|2.168824|18.482938|10.603931|2.644174|2.492911|1.415933|4.476154|6.893399|6.909675|7.963052|13.738101|36.858105| |2.415018|2.743540|4.673059|0.098114|3.296071|3.803243|4.117412|4.298688|5.789780|3.280480|3.899262|2.414895|2.101932|1.862846|1.839296|2.031544|2.358516|20.165339|11.271913|2.809198|2.657954|1.483463|5.028197|7.391046|7.928288|6.846327|7.891803|13.751038|36.858105| |2.683242|3.166242|5.458762|0.111994|3.647566|3.960772|5.301381|5.772965|8.237826|4.288675|4.874836|2.918903|2.465647|2.149067|2.122977|2.382558|2.845797|25.265419|12.739052|3.168880|2.979725|1.661639|7.551018|9.942643|13.715681|7.908112|6.856276|7.971313|13.755411|36.858105| |1.929879|2.072641|3.340603|0.071879|2.414535|2.806673|2.681080|2.823821|3.759184|2.305077|2.838285|1.831268|1.643528|1.491311|1.478380|1.606638|1.804102|14.888337|9.313122|2.325997|2.207671|1.250258|3.155715|5.094381|4.196492|4.721164|6.933266|10.684562|6.954721|4.728362|388.023441| |1.875988|2.026888|3.277352|0.069254|2.444497|2.879722|2.622538|2.648404|3.523656|2.190611|2.722478|1.767928|1.596886|1.453700|1.439486|1.557425|1.739576|14.199984|9.105771|2.279712|2.171429|1.212307|2.890884|4.677166|3.710535|3.834892|4.944848|7.349759|6.589479|4.464180|94.451980|73.516695| |1.735416|1.850135|2.906088|0.062297|2.075169|2.339939|2.328779|2.496169|3.406498|2.132643|2.617873|1.713612|1.540418|1.411516|1.411319|1.537373|1.710022|14.145596|8.964585|2.250436|2.116086|1.212396|2.898061|4.853201|3.704425|4.393878|6.373953|7.329410|5.030799|3.872139|94.608247|13.543698|73.516695| |2.018735|2.112305|3.406298|0.075248|2.477175|2.949805|2.616247|2.749518|3.501351|2.163995|2.726751|1.755799|1.596422|1.443519|1.414523|1.518321|1.701613|13.722624|8.918942|2.205279|2.127667|1.206135|2.814441|4.492480|3.594167|4.021199|5.426994|6.766879|5.148613|3.906761|76.333244|13.033743|13.045986|36.858105| |17.589922|8.948281|7.535495|0.148973|4.610305|3.570265|4.162395|3.821751|4.257404|3.178966|5.226781|3.423555|3.663576|2.997903|2.510176|2.421231|2.745250|17.969835|14.895894|3.337293|3.761130|1.990667|2.574835|4.090520|2.415434|2.189669|2.006103|1.995674|2.152974|2.386981|12.443143|3.026355|2.831133|1.818257|0.500000| |17.587307|8.716640|9.202843|0.188258|6.379801|4.794849|4.458945|3.841364|4.135967|2.923381|4.552714|2.902655|2.958444|2.480060|2.155477|2.127630|2.415728|16.524286|13.000081|2.981347|3.268239|1.725867|2.554024|3.988237|2.496741|2.258187|2.113647|2.152492|2.344725|2.549334|13.543767|3.325187|3.027993|2.012455|0.303047|0.500000| |17.550959|8.792444|9.265153|0.218995|5.149337|4.213375|4.783903|4.645298|4.798447|3.366013|5.278841|3.256928|3.242430|2.659689|2.314623|2.312177|2.675623|18.476173|13.726223|3.134121|3.384677|1.854384|2.908525|4.503156|2.798937|2.559083|2.344450|2.318270|2.479067|2.740420|14.285075|3.419993|3.219167|2.129975|0.302822|0.300203|0.500000| |8.766651|17.621780|12.407858|0.183481|7.457825|4.704574|6.606985|4.878279|5.368169|3.996201|6.723606|4.158102|4.231999|3.325855|2.805605|2.772797|3.253118|21.507653|16.177171|3.687109|4.066178|2.056957|3.099394|4.802806|2.868542|2.461799|2.230371|2.274287|2.571736|2.948725|13.862859|3.440016|3.100595|1.965398|0.211960|0.207958|0.172129|0.500000| |8.818414|17.672807|12.341567|0.209438|5.638330|4.137012|7.641812|6.815512|7.007601|5.334759|9.858801|5.388124|5.167031|3.778844|3.167771|3.199799|3.947032|26.159520|17.575438|3.971920|4.284160|2.278447|3.763863|5.737753|3.326832|2.848211|2.493528|2.459965|2.735535|3.229686|14.606801|3.532696|3.295379|2.068474|0.213790|0.171999|0.211048|0.303006|0.500000| |6.851596|7.552618|12.362963|0.212455|17.662837|8.869153|5.635279|4.155853|4.459822|3.028341|4.526226|2.826530|2.766345|2.336642|2.084341|2.103662|2.408970|17.040556|12.583994|2.948390|3.148536|1.632782|2.778688|4.255577|2.799311|2.448914|2.321728|2.461297|2.802835|3.038003|15.413440|3.892190|3.356626|2.256221|0.146062|0.235373|0.154983|0.214684|0.148502|0.500000| |4.927091|6.627684|12.409455|0.183217|17.625052|8.760009|7.411180|4.686696|5.195253|3.489769|5.105651|3.137372|2.972291|2.498233|2.259604|2.321977|2.697603|19.428422|13.487279|3.199142|3.350615|1.712194|3.199865|4.841035|3.198078|2.676540|2.505983|2.702709|3.226066|3.618954|16.521047|4.245945|3.568628|2.321573|0.114111|0.142543|0.117503|0.207118|0.145643|0.302506|0.500000| |3.810560|4.445988|9.204346|0.186188|8.720490|17.588425|6.438596|4.893759|5.290107|3.212866|4.314854|2.616376|2.390698|2.054669|1.924011|2.029661|2.358207|18.165124|11.661434|2.815015|2.839413|1.516574|3.547033|5.192457|4.016208|3.386861|3.332598|3.843733|4.805091|4.977394|23.147007|5.994393|4.700469|3.333587|0.087813|0.109451|0.103313|0.116253|0.108398|0.172541|0.207451|0.500000| |4.566202|4.743316|9.261881|0.218260|8.798485|17.553778|5.185535|4.302666|4.522521|2.848968|3.964250|2.438010|2.290832|1.970628|1.818957|1.884804|2.164862|16.198891|11.099533|2.647106|2.723187|1.465170|2.993031|4.484735|3.285526|2.942880|2.911948|3.200591|3.628370|3.693220|20.165447|5.053859|4.212768|3.111423|0.101051|0.139869|0.127176|0.118721|0.110435|0.212766|0.172152|0.300220|0.500000| |3.801059|4.144458|7.537429|0.148617|8.941903|17.591269|4.629101|3.612641|4.061595|2.631034|3.662247|2.308816|2.189401|1.908603|1.768981|1.825564|2.071749|15.367462|10.894683|2.615118|2.696467|1.418037|2.714878|4.147727|2.939537|2.590430|2.576459|2.899215|3.396197|3.430498|18.715834|4.925134|3.919719|2.764269|0.088502|0.117836|0.099271|0.114124|0.096819|0.214672|0.212188|0.302907|0.302646|0.500000| |4.141671|5.646360|12.342043|0.208242|7.607536|6.894274|17.691241|8.817789|8.995290|5.050411|6.596887|3.677349|3.168488|2.618330|2.448879|2.650478|3.240045|25.735694|14.266211|3.437665|3.418837|1.822204|5.301643|7.225892|5.427082|4.037072|3.580011|3.860135|4.975259|6.499743|21.317272|5.318321|4.515334|2.874604|0.096943|0.108233|0.110689|0.145627|0.149663|0.149067|0.215744|0.237350|0.155397|0.147017|0.500000| |4.737535|7.527476|12.408277|0.183537|6.514259|4.878909|17.688431|8.779126|9.843644|6.728073|10.182882|5.233475|4.401638|3.414524|3.084952|3.314466|4.222739|31.169106|17.191651|4.059910|4.125744|2.146644|4.983376|7.186163|4.345237|3.376752|2.914786|2.978837|3.562820|4.531365|17.044191|4.215142|3.765712|2.308208|0.114918|0.116231|0.120089|0.205245|0.222597|0.143212|0.199985|0.141504|0.117024|0.112802|0.301427|0.500000| |5.127526|6.638887|9.864791|0.210619|4.643653|4.024679|8.804190|17.636064|12.564117|7.507395|10.747366|5.109850|4.192645|3.247137|2.957252|3.212231|4.146086|32.080592|16.495840|3.849444|3.861021|2.186709|5.947472|8.251745|5.007183|4.159107|3.394714|3.200329|3.519412|4.402922|17.886540|4.174031|4.026799|2.505745|0.123037|0.116159|0.154514|0.142600|0.236297|0.112883|0.117859|0.115247|0.110921|0.091516|0.174283|0.201641|0.500000| |4.052283|4.928984|8.980589|0.206471|4.753505|4.677288|8.851217|17.659844|12.526984|5.792739|7.019339|3.759847|3.143186|2.589963|2.449422|2.696571|3.354298|28.092842|14.193201|3.403243|3.327521|1.879946|7.440237|9.156653|7.753798|5.939906|4.721274|4.491990|5.086917|6.744878|23.223286|5.306636|5.041724|3.223515|0.095698|0.100397|0.121529|0.113979|0.146319|0.109642|0.119175|0.146615|0.129512|0.103260|0.221461|0.174154|0.302880|0.500000| |4.097342|4.915716|5.172043|0.094944|3.136557|2.560465|3.906623|3.842579|5.169998|4.793503|9.461934|8.875234|17.737788|8.919255|5.628465|4.894954|5.624318|28.720184|27.748871|5.719424|6.882687|3.428062|3.012405|5.068247|2.541694|2.241321|1.964790|1.909311|2.079106|2.416956|11.617526|2.827179|2.705382|1.606141|0.125040|0.095294|0.103873|0.140884|0.172565|0.085491|0.089277|0.069393|0.067962|0.064610|0.090356|0.126967|0.120629|0.088426|0.500000| |2.708013|3.017390|3.492520|0.065935|2.267940|1.946107|2.673699|2.666996|3.783668|3.425856|5.655520|5.664123|8.938628|17.752967|8.905741|5.624233|4.976511|24.371449|47.393853|8.157541|13.209044|5.310188|2.385132|4.214239|2.041215|1.845704|1.641470|1.591958|1.709235|1.944211|9.886567|2.417333|2.341445|1.354640|0.081775|0.067037|0.070629|0.087504|0.095618|0.062179|0.065302|0.053341|0.051836|0.050475|0.065950|0.084125|0.079757|0.064632|0.214088|0.500000| |2.111877|2.419822|3.126315|0.060085|2.026761|1.830080|2.623741|2.793649|4.525643|4.305265|5.772552|5.598086|4.896139|5.604802|8.920542|17.747649|8.827921|43.962619|47.458195|13.429383|8.214073|5.193814|3.077304|6.010131|2.482716|2.239196|1.934190|1.834045|1.959266|2.278384|11.153947|2.704072|2.691036|1.470884|0.059367|0.053136|0.057413|0.067405|0.076354|0.053082|0.058634|0.052462|0.048498|0.047189|0.067301|0.080991|0.078815|0.068698|0.106586|0.124014|0.500000| |1.871268|2.024893|2.540188|0.049882|1.664988|1.512393|2.004388|2.132648|3.196182|2.813709|4.013401|3.659453|3.837866|4.829982|6.340856|5.604862|4.201145|23.413016|57.239887|12.101817|9.657961|17.629859|2.184838|4.124028|1.864875|1.753227|1.555243|1.469619|1.531984|1.720418|9.190306|2.216223|2.238011|1.242499|0.054171|0.047277|0.051397|0.055987|0.063001|0.044878|0.047161|0.042477|0.040902|0.039342|0.051283|0.059902|0.062484|0.053936|0.090907|0.125964|0.161148|0.500000| |1.721845|1.843818|2.302712|0.045051|1.537204|1.395635|1.788646|1.856690|2.725479|2.343036|3.380066|3.011926|3.295284|4.219120|5.087250|4.197221|3.288157|18.767182|58.271008|11.874825|11.891828|17.600412|1.864436|3.468066|1.626080|1.529250|1.376869|1.316326|1.375320|1.527329|8.334406|2.025977|2.026583|1.130941|0.050230|0.044012|0.046829|0.051729|0.056336|0.041820|0.043750|0.038948|0.037680|0.036659|0.046118|0.053555|0.054056|0.047235|0.081097|0.120713|0.118800|0.298691|0.500000| |2.005573|2.142447|2.616597|0.051191|1.717630|1.540526|2.016996|2.109415|3.064428|2.681159|4.000637|3.671320|4.242652|5.697575|6.347223|4.788509|3.834462|20.817678|57.221705|9.657231|12.083982|17.628729|2.047704|3.761053|1.768983|1.656278|1.479965|1.410121|1.475809|1.650862|8.860579|2.144317|2.142004|1.211208|0.059281|0.050523|0.054582|0.059712|0.066583|0.046897|0.048566|0.042740|0.041732|0.040155|0.051127|0.060551|0.062680|0.053082|0.103615|0.167209|0.123519|0.296796|0.298746|0.500000| |2.327856|2.576854|3.985993|0.086065|2.535484|2.624090|3.465284|4.492823|6.892167|3.963073|4.430029|2.762528|2.328575|2.070906|2.090087|2.377316|2.798592|25.601688|12.665574|3.152040|2.893764|1.725981|7.162520|12.013004|8.908773|17.740181|8.921511|5.656030|4.940916|5.636071|27.748066|5.716434|6.825243|3.469152|0.059397|0.059968|0.069070|0.064991|0.076584|0.062975|0.067669|0.081479|0.073380|0.064499|0.097458|0.086587|0.112445|0.145776|0.062334|0.051904|0.064296|0.050926|0.043941|0.047676|0.500000| |2.032437|2.186215|3.438457|0.075038|2.322509|2.543256|2.830874|3.292163|4.570817|2.750310|3.278351|2.097865|1.843171|1.665340|1.666480|1.842238|2.095019|17.918906|10.383629|2.590817|2.419029|1.414574|4.130242|6.819261|5.643968|8.913692|17.744139|8.908259|5.630671|4.946374|47.083614|8.079322|12.756205|5.469239|0.051595|0.054061|0.060064|0.055909|0.062349|0.058174|0.061578|0.079752|0.072276|0.064004|0.083408|0.070251|0.082762|0.108326|0.050262|0.042628|0.050093|0.041205|0.036551|0.039151|0.214688|0.500000| |2.323634|2.628404|4.476215|0.092577|3.315971|3.941730|3.831819|3.750139|4.969725|2.931838|3.571780|2.244883|1.983661|1.769112|1.741618|1.904896|2.184961|18.225339|10.763883|2.685392|2.558989|1.409928|4.086716|6.198799|5.633848|4.942511|5.637051|8.936632|17.753099|8.881479|47.457405|13.744416|8.331668|4.999699|0.057603|0.063659|0.065408|0.069601|0.071521|0.078388|0.091438|0.140667|0.102217|0.100960|0.131419|0.093696|0.086870|0.118496|0.054797|0.045409|0.051077|0.040212|0.036470|0.038956|0.107409|0.124238|0.500000| |2.798095|3.407866|5.949642|0.116156|4.047952|4.267250|6.140421|5.937392|8.560440|4.577190|5.251467|3.128689|2.634123|2.282190|2.245254|2.517976|3.026326|26.541769|13.379384|3.328445|3.143947|1.717812|6.952447|9.354933|8.885731|5.630697|4.945895|5.666056|8.943994|17.719196|27.828693|6.976637|5.799868|3.338393|0.069130|0.073974|0.077540|0.090102|0.095895|0.091545|0.116183|0.151052|0.105414|0.103008|0.227636|0.149897|0.123418|0.173870|0.071707|0.057195|0.066452|0.049091|0.043807|0.047330|0.123985|0.107476|0.214587|0.500000| |2.206342|2.307749|3.798111|0.084610|2.808793|3.472675|2.872643|2.953785|3.657950|2.246372|2.857213|1.824746|1.663729|1.494474|1.453150|1.553083|1.748336|13.987712|9.120858|2.244798|2.185206|1.228138|2.870770|4.496720|3.654306|3.890369|4.940749|6.341278|5.411993|4.111965|57.212941|12.114967|9.664527|17.627663|0.054585|0.061639|0.064574|0.059490|0.061941|0.070612|0.072220|0.110213|0.103172|0.090123|0.088834|0.069425|0.074306|0.096935|0.046819|0.038999|0.041528|0.035007|0.031937|0.034353|0.092349|0.129840|0.151336|0.099179|0.500000| 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