Version2.0 2020-01-26T16:37:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 18-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(c2c(c1)sc(n2)N(CCC[NH+](C)C)C(=O)c3ccc(cc3)S(=O)(=O)N4CCC(CC4)C)C C36643695 RHF 6-31G(d) (6D,7F) Cc1cc(c2c(c1)sc(n2)N(CCC[NH+](C)C)C(=O)c3ccc(cc3)S(=O)(=O)N4CCC(CC4)C)C C01[X(C27H37N4O3S2)] 213 C1 622 C[NH+](CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C)c1sc2c(n1)c(C)cc(c2)C)C C[NH+](CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C)c1sc2c(n1)c(C)cc(c2)C)C CC1CCN(CC1)[S](=O)(=O)c2ccc(cc2)C(=O)N(CCC[NH+](C)C)c3sc4cc(C)cc(C)c4n3 InChIKey=RPVHFKMETVEBGD-UHFFFAOYSA-O InChI=1S/C27H36N4O3S2/c1-19-11-15-30(16-12-19)36(33,34)23-9-7-22(8-10-23)26(32)31(14-6-13-29(4)5)27-28-25-21(3)17-20(2)18-24(25)35-27/h7-10,17-19H,6,11-16H2,1-5H3/p+1 InChI=1/C27H36N4O3S2/c1-19-11-15-30(16-12-19)36(33,34)23-9-7-22(8-10-23)26(32)31(14-6-13-29(4)5)27-28-25-21(3)17-20(2)18-24(25)35-27/h7-10,17-19H,6,11-16H2,1-5H3/p+1/fC27H37N4O3S2/h29H/q+1 Cc1cc(c2c(c1)sc(n2)N(CCC[NH+](C)C)C(=O)c3ccc(cc3)S(=O)(=O)N4CCC(CC4)C)C C01[X(C27H37N4O3S2)] 213 C01 622 C[NH+](CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C)c1sc2c(n1)c(C)cc(c2)C)C C[NH](CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)C)c1sc2c(n1)c(C)cc(c2)C)C CC1CCN(CC1)[S](=O)(=O)c2ccc(cc2)C(=O)N(CCC[NH](C)C)c3sc4cc(C)cc(C)c4n3 InChIKey=OUTQEXXLNNGVKA-UHFFFAOYSA-N InChI=1S/C27H37N4O3S2/c1-19-11-15-30(16-12-19)36(33,34)23-9-7-22(8-10-23)26(32)31(14-6-13-29(4)5)27-28-25-21(3)17-20(2)18-24(25)35-27/h7-10,17-19,29H,6,11-16H2,1-5H3 InChI=1/C27H37N4O3S2/c1-19-11-15-30(16-12-19)36(33,34)23-9-7-22(8-10-23)26(32)31(14-6-13-29(4)5)27-28-25-21(3)17-20(2)18-24(25)35-27/h7-10,17-19,29H,6,11-16H2,1-5H3 4273.0515431062 -2281.1429154 1-A 31417.2334 141 481 622 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0.2679 0.6797 0.8569 0.4635 0.3914 0.4660 0.8029 0.8293 0.8255 0.4441 0.8271 0.8195 0.8401 0.7430 0.7094 0.8553 0.6863 0.7536 0.5491 0.3730 0.4629 0.6854 0.4860 0.6542 0.7229 0.5809 0.7704 0.5950 0.8000 0.4273 0.8560 0.7506 0.8465 0.8570 0.8530 0.7935 0.6051 0.8412 0.8385 0.8496 0.8296 0.5785 0.8130 0.7847 0.6485 0.5062 0.8540 0.4327 0.4547 0.7308 0.8344 0.6594 0.6088 0.3413 0.2141 0.6438 0.5315 0.4494 0.2126 0.0462 0.1268 0.3778 0.6037 0.5749 0.2721 0.5149 0.6022 0.8566 0.1957 0.1094 0.7852 0.1365 0.6018 0.0759 0.7492 0.8539 0.7319 0.5304 0.4352 0.4639 0.6292 0.8565 0.8384 0.8526 0.4372 0.5565 0.7667 0.8064 0.2862 0.2820 0.3758 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 62 63 64 65 66 67 68 69 70 71 72 73 6 6 6 6 6 6 6 16 6 7 7 6 6 6 7 1 6 6 6 8 6 6 6 6 6 6 16 8 8 7 6 6 6 6 6 6 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 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 15.99491 14.00307 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 1.00783 10072.3227 49132.2521 53557.8374 0.99994 0.00539 -0.00973 -0.00548 0.99994 -0.00935 0.00967 0.00940 0.99991 1 0.00860 0.00176 0.00162 0.17918 0.03673 0.03370 12.40 18.22 29.49 41.99 44.29 51.73 66.23 76.58 90.00 94.21 103.87 112.40 130.92 166.70 189.09 200.73 210.24 231.16 240.34 244.51 272.56 279.98 315.02 329.08 330.90 355.50 357.50 361.73 382.06 396.30 401.35 414.67 423.94 434.86 468.36 473.53 478.74 513.06 549.81 571.16 597.72 611.55 643.31 649.32 659.24 673.13 674.40 697.80 708.58 735.97 752.79 766.60 774.36 801.40 825.60 841.81 864.12 893.91 910.58 914.53 973.60 993.82 1004.14 1027.26 1054.77 1123.68 1136.12 1180.13 1201.78 1204.21 1230.20 1237.31 1245.12 1278.86 1279.49 1340.74 1382.25 1388.39 1401.55 1404.45 1415.87 1449.87 1457.62 1459.96 1478.88 1502.42 1505.02 1538.26 1554.02 1557.16 1583.72 1587.86 1591.53 1593.71 1601.21 1604.53 1614.32 1621.67 1644.40 1653.30 1663.40 1689.60 1694.54 1709.99 1712.18 1715.15 1744.39 1778.44 1796.52 1815.15 1827.74 1850.22 1850.78 1857.07 1876.96 1877.65 1882.68 1883.73 1900.81 1969.41 1972.66 1996.13 2012.42 2013.06 2029.37 2035.16 2052.18 2071.45 2077.42 2087.76 2097.71 2111.91 2117.61 2124.51 2139.66 2194.59 2203.52 2209.80 2229.00 2235.42 2239.10 2239.59 2252.15 2254.04 2259.73 2266.55 2273.15 2274.14 2283.46 2290.97 2324.21 2326.37 2335.29 2336.66 2341.95 2344.68 2355.34 2355.47 2362.46 2363.39 2364.80 2365.16 2365.34 2372.11 2376.15 2377.01 2387.03 2387.59 2397.29 2412.73 2465.43 2537.78 2554.23 2604.46 2608.16 2846.49 4562.00 4566.89 4599.10 4600.05 4604.95 4617.16 4617.56 4625.63 4651.03 4664.81 4671.61 4676.37 4693.37 4696.13 4696.33 4703.41 4703.80 4709.60 4717.41 4718.05 4736.73 4737.45 4743.30 4822.90 4826.93 4827.11 4833.74 4835.42 4842.52 4856.91 4862.59 4866.83 4868.49 4891.68 4916.05 4923.54 5308.74 0.664982 0.699051 0.699995 0.594429 -2280.477933 -2280.443864 -2280.442920 -2280.548486 3.540701D-04 MUNgauss RevisionA2.0 retrievium 26-Jan-2020 DUDE Cc1cc(c2c(c1)sc(n2)N(CCC[NH+](C)C)C(=O)c3ccc(cc3)S(=O)(=O)N4CCC(CC4)C)C C36643695 RHF 6-31G(d) (6D,10F) C1 529.230710 |X|Y|Z| 65.007422 42.184754 159.409683 75.894631 24 6 7 16 19 3 2 |36.858105| |12.609497|36.858105| |7.551055|13.550284|36.858105| |4.999670|7.792108|13.838167|36.858105| |4.432645|6.834229|8.024104|13.592158|36.858105| |5.034457|7.999241|6.990768|7.904045|13.777223|36.858105| |7.563558|13.829314|7.944766|6.750289|7.845345|13.687808|36.858105| |3.565639|4.696096|4.275649|4.868898|7.418003|10.913719|6.744558|388.023441| |3.086560|4.051298|4.175879|5.379183|8.650470|7.834772|4.988806|77.312132|36.858105| |3.351737|4.565206|5.161415|7.678309|13.689917|8.151902|5.226218|52.391857|14.901944|53.358707| |2.516889|3.123427|3.229403|3.985916|5.404497|4.993735|3.668987|48.639605|13.629783|11.194402|53.358707| |2.287542|2.793059|3.007526|3.772808|4.693103|4.013283|3.106336|33.239625|7.896221|9.694988|17.745090|36.858105| |2.233967|2.709202|2.992066|3.782211|4.438312|3.669342|2.920220|28.079511|6.078882|8.689784|10.328358|12.334868|36.858105| |2.216797|2.670367|3.067246|3.932528|4.240453|3.363534|2.761736|23.776331|4.786995|7.718516|7.039356|7.549299|12.492147|36.858105| |2.179430|2.585773|3.010069|3.767909|3.814971|3.061572|2.602683|20.833145|3.880848|6.287053|5.390618|4.934747|7.540826|12.630650|53.358707| |2.399661|2.887999|3.407249|4.347827|4.364266|3.426722|2.894596|22.691526|4.216493|7.068632|5.580932|4.788482|7.126195|9.370160|25.691786|0.500000| |1.915372|2.219987|2.500751|2.986978|3.070725|2.601544|2.254888|18.300473|3.269710|4.930935|4.727532|4.203403|6.285484|7.578603|17.374744|0.259628|36.858105| |2.111442|2.460239|2.917211|3.565119|3.388496|2.737180|2.402893|18.075156|3.207542|5.225462|4.330487|3.835427|4.957739|7.698953|17.362275|0.260197|7.745939|36.858105| |2.283441|2.742614|2.735313|3.192624|4.119427|4.168566|3.253650|43.673740|7.847670|7.229330|18.618360|7.606356|5.306585|3.881491|4.295668|0.089706|2.922823|2.616355|36.858105| |2.380045|2.838309|2.734103|3.094015|4.001975|4.373550|3.472069|50.782696|6.960004|6.465479|11.511833|5.345636|4.092158|3.214295|3.698829|0.078220|2.519868|2.315966|15.993867|73.516695| |1.941329|2.267861|2.284310|2.623840|3.188992|3.156861|2.597214|29.522139|5.035597|5.397927|10.404994|6.451318|4.936707|3.632295|4.066483|0.082511|2.900741|2.480396|12.686352|14.487653|36.858105| |1.774522|2.035029|2.031124|2.284196|2.709307|2.726278|2.313062|24.905159|3.935986|4.389400|7.171757|4.752722|3.748323|2.994109|3.415607|0.068709|2.448176|2.157728|7.690322|11.699020|13.695687|36.858105| |1.577426|1.781989|1.786281|1.988338|2.295164|2.291165|1.989192|19.990523|3.119412|3.643773|5.391013|3.830801|3.254827|2.680573|3.131949|0.062342|2.306744|1.999797|5.073076|8.032465|7.935331|13.792099|36.858105| |1.518597|1.712370|1.731732|1.932809|2.206619|2.171828|1.891266|18.497607|2.939582|3.511603|5.056488|3.732633|3.381527|2.761731|3.279947|0.064849|2.491930|2.070816|4.474008|6.887266|6.903626|7.965233|13.727679|36.858105| |1.617291|1.841441|1.877141|2.120621|2.437151|2.366879|2.034413|20.133110|3.310235|3.953739|5.850357|4.372351|4.148440|3.220082|3.826036|0.075769|2.961489|2.341798|5.023957|7.329224|7.927281|6.853121|7.899423|13.772674|36.858105| |1.832575|2.126047|2.169162|2.493558|2.954728|2.858651|2.386278|25.203269|4.348700|4.972429|8.399826|5.950534|5.365218|3.818156|4.386018|0.088212|3.282295|2.609813|7.543753|9.807620|13.740706|7.918594|6.863293|7.973420|13.746797|36.858105| |1.331752|1.478357|1.494997|1.645245|1.835167|1.807746|1.609628|14.910805|2.310494|2.845160|3.765123|2.819978|2.668485|2.291266|2.810658|0.055358|2.174396|1.817017|3.156904|5.096282|4.197670|4.720539|6.918176|10.698815|6.982555|4.737987|388.023441| |1.301542|1.443454|1.471153|1.622253|1.792096|1.745805|1.557704|14.136826|2.216269|2.777805|3.577755|2.738646|2.709485|2.344110|2.930276|0.057357|2.330872|1.887253|2.889063|4.612003|3.716722|3.834815|4.939154|7.387326|6.646414|4.483922|94.488975|73.516695| |1.288735|1.419522|1.420169|1.545172|1.722118|1.723302|1.550865|14.271141|2.143080|2.626007|3.413976|2.474778|2.332817|2.017675|2.504422|0.049937|1.920733|1.632727|2.905424|4.875587|3.711312|4.265646|5.967053|7.308591|5.270026|3.984273|94.861436|13.678389|73.516695| |1.273432|1.408999|1.430115|1.571804|1.739142|1.704435|1.524230|13.891111|2.157230|2.687058|3.481859|2.667546|2.478198|2.192298|2.663824|0.051960|2.033651|1.754448|2.861674|4.644174|3.665194|4.289265|6.091773|7.123952|5.007988|3.856455|82.485517|13.326073|13.668815|53.358707| |1.270109|1.408872|1.446040|1.600054|1.756279|1.694100|1.510935|13.585595|2.156334|2.732347|3.483325|2.778231|2.614790|2.357956|2.849872|0.054721|2.189595|1.886740|2.760333|4.393175|3.464723|3.848279|4.955983|5.787095|4.663735|3.709208|51.480440|11.631880|8.907594|17.650566|36.858105| |1.234453|1.364202|1.400921|1.544364|1.684378|1.624613|1.456918|12.917209|2.036963|2.600491|3.239545|2.591863|2.394108|2.216431|2.664377|0.051076|2.007133|1.798515|2.538958|4.097801|3.060539|3.458454|4.202745|4.341005|3.609831|3.107899|34.359270|7.658406|6.884126|10.598349|12.493033|36.858105| |1.137167|1.244843|1.270086|1.384366|1.500486|1.461534|1.326380|11.562491|1.782059|2.279062|2.775399|2.167615|2.017966|1.882700|2.303953|0.044576|1.734599|1.571509|2.185591|3.614970|2.571907|2.919521|3.514380|3.562774|2.974377|2.588915|29.908175|6.633899|6.550152|8.931216|7.519677|12.436361|36.858105| |1.141773|1.247549|1.261619|1.368610|1.493326|1.472108|1.338654|11.789020|1.788362|2.258482|2.785347|2.120133|1.960081|1.799056|2.207829|0.043169|1.659253|1.494981|2.245985|3.769220|2.668603|3.120243|3.898151|3.868619|3.091243|2.659037|34.264987|7.022359|8.068754|10.602744|6.549541|7.629281|12.439081|36.858105| |1.170636|1.282478|1.295543|1.408514|1.544449|1.524533|1.381212|12.299664|1.869664|2.346270|2.939637|2.222512|2.079712|1.875986|2.314251|0.045379|1.761380|1.547314|2.397187|3.997363|2.927015|3.398973|4.475214|4.791065|3.684194|3.011321|51.043391|9.709934|11.983398|17.551615|7.722366|6.531298|7.510048|12.499428|36.858105| |1.101062|1.200066|1.224368|1.328481|1.430735|1.394343|1.273116|10.932365|1.673521|2.155256|2.568588|2.004322|1.854285|1.759352|2.153982|0.041704|1.601883|1.489514|2.001842|3.345928|2.286931|2.582969|2.967367|2.899006|2.493162|2.253551|22.767887|5.133670|5.184904|6.019281|4.895134|7.520476|12.469629|7.517013|4.891661|36.858105| |3.784182|4.977280|7.571157|12.639965|7.518108|5.014552|4.400364|26.659221|4.482040|8.673847|4.963367|3.759274|3.985882|4.590996|6.248336|0.147196|3.425387|4.643915|2.905643|4.850794|2.483368|2.168023|1.918440|1.889723|2.081837|2.414925|11.544375|2.877664|2.682080|2.125947|1.613575|1.560983|1.392390|1.360949|1.397209|1.337960|36.858105| |17.551634|8.848281|6.724466|4.598092|3.982037|4.322819|5.897269|22.637688|2.833678|4.210959|3.196263|2.170691|2.107882|2.123439|2.830842|0.062850|1.823583|2.048767|2.133265|3.932373|1.830486|1.689256|1.507957|1.448179|1.532243|1.724401|9.075211|2.215242|2.192947|1.674091|1.231095|1.204475|1.111559|1.112411|1.134097|1.082112|3.652883|0.500000| |17.592116|8.839521|5.560122|4.144157|3.953958|4.748220|7.254678|25.352210|2.956785|4.211251|3.316633|2.182936|2.109771|2.059944|2.737148|0.061086|1.792006|1.930476|2.259500|4.261622|1.921457|1.769402|1.572465|1.506742|1.595805|1.803444|9.409595|2.288420|2.292335|1.718910|1.251170|1.215650|1.124595|1.135440|1.164912|1.088794|3.211077|0.301882|0.500000| |17.550693|8.845418|6.731933|4.599092|3.979962|4.317258|5.885781|22.577014|2.830376|4.209640|3.195186|2.158341|2.152947|2.148639|2.936337|0.066394|1.909950|2.100954|2.131126|3.910396|1.836395|1.674230|1.501060|1.458243|1.559932|1.757660|9.151951|2.250780|2.214020|1.669813|1.225421|1.187029|1.095002|1.098290|1.129299|1.058174|3.654401|0.302182|0.301865|0.500000| |7.084084|8.912848|17.695656|8.998585|5.682225|5.011232|5.665297|24.492824|3.429511|5.656079|3.782718|2.659622|2.689579|2.826530|3.870351|0.088596|2.379194|2.850279|2.388827|4.221117|2.044096|1.836139|1.635939|1.594685|1.722083|1.961663|9.907158|2.448972|2.353679|1.822011|1.358880|1.320844|1.202168|1.190017|1.218816|1.162890|7.047581|0.192924|0.141439|0.193311|0.500000| |6.960792|8.915396|5.632703|4.888632|5.606034|8.865814|17.724805|44.434811|4.319478|5.780587|4.542642|2.800637|2.612689|2.442208|3.136320|0.070321|2.040559|2.129262|3.098373|6.066760|2.497080|2.258815|1.948323|1.841491|1.961823|2.280841|11.202762|2.695305|2.726280|2.027245|1.463780|1.412200|1.294652|1.315711|1.357914|1.243654|3.525231|0.151863|0.221072|0.151420|0.124198|0.500000| |2.042955|2.434699|2.581359|3.120826|3.742744|3.351838|2.694222|28.173815|5.791828|6.971585|12.537097|17.703678|8.790205|6.085286|5.761351|0.110773|3.851907|3.405289|7.451563|9.172401|7.715387|5.732109|4.616070|4.479697|5.203890|7.029507|23.135651|5.540165|4.939281|4.233943|3.279280|3.035290|2.470038|2.402820|2.523581|2.256740|3.125952|0.054213|0.054664|0.053687|0.064423|0.068975|0.500000| |2.380618|2.926699|3.211627|4.105596|5.026138|4.137513|3.207295|32.352977|7.481514|10.382729|12.603039|17.626441|8.777657|7.598069|6.575155|0.128899|3.901523|3.989177|5.997615|8.322792|5.018941|4.082458|3.353746|3.201325|3.575124|4.514669|17.859520|4.319970|3.962765|3.323815|2.564897|2.464437|2.076867|2.013323|2.070624|1.956572|4.175030|0.063540|0.062520|0.061844|0.078941|0.079262|0.304401|0.500000| |2.426612|2.984220|3.292133|4.204172|5.056716|4.145262|3.243903|31.315974|6.823437|9.929182|10.363401|8.865880|17.606561|8.896717|9.800114|0.222168|6.039302|4.715267|5.291293|7.498778|4.650502|3.507293|3.031270|3.143348|3.867811|5.050248|17.822609|4.527117|3.978511|3.115616|2.365323|2.160074|1.854734|1.824643|1.946561|1.706990|4.289788|0.062611|0.063534|0.065341|0.081063|0.079879|0.179748|0.189881|0.500000| |2.000666|2.371374|2.574412|3.130955|3.582005|3.104207|2.548712|24.183905|4.777309|6.462378|8.336724|8.795219|17.589969|8.821002|8.922804|0.164718|6.650174|4.459862|4.917672|6.757692|5.107320|3.874114|3.491988|3.804703|4.909329|6.201141|21.261098|5.534488|4.538942|3.715782|2.913092|2.595171|2.161274|2.092271|2.253181|1.953743|3.284747|0.052546|0.052957|0.053923|0.065234|0.064608|0.229417|0.178507|0.302241|0.500000| |1.997137|2.357387|2.671391|3.305881|3.507885|2.889232|2.428472|20.727129|3.977965|6.082398|6.034662|6.500384|8.724751|17.602528|12.402285|0.182452|6.925301|7.117651|3.528360|5.223414|3.454621|2.936117|2.687007|2.784658|3.195364|3.647344|16.656402|4.282744|3.620682|3.108847|2.515002|2.383980|2.000543|1.881109|1.947744|1.872622|3.831573|0.053695|0.051865|0.053752|0.069436|0.060547|0.164823|0.187072|0.173644|0.215979|0.500000| |2.442455|2.997391|3.540340|4.745675|5.038564|3.784793|3.068605|25.657503|5.253436|9.322582|7.124309|7.216352|8.891243|17.669201|12.482731|0.228491|5.606910|7.300763|3.830358|5.771353|3.423090|2.870277|2.530852|2.540749|2.886049|3.429160|15.037601|3.784772|3.357842|2.781385|2.176813|2.082064|1.786660|1.713485|1.768339|1.690406|5.812452|0.065375|0.062324|0.065135|0.089910|0.073968|0.154620|0.237368|0.207074|0.174322|0.300101|0.500000| |1.871330|2.141506|2.416709|2.827650|2.830254|2.422969|2.144146|16.734515|2.884511|4.361070|4.054637|3.444143|4.746426|5.554041|12.317976|0.221137|17.650329|7.263824|2.558121|4.011169|2.524971|2.167232|2.056834|2.215204|2.592831|2.826273|14.021758|3.767288|3.136556|2.511670|1.973642|1.818110|1.593283|1.528260|1.620132|1.478356|3.261779|0.049506|0.048518|0.052416|0.064836|0.054057|0.088179|0.090463|0.133540|0.136058|0.142974|0.126779|0.500000| |1.927231|2.240798|2.479932|2.950945|3.130106|2.697676|2.316541|19.481807|3.495601|5.100332|5.181032|4.511246|7.060547|6.877055|12.268976|0.225577|17.684895|5.622945|3.228966|4.889752|3.243458|2.672953|2.515328|2.760912|3.389294|3.809429|16.890684|4.559955|3.718181|2.956580|2.313337|2.081997|1.795384|1.734089|1.864600|1.640333|3.244213|0.050522|0.050491|0.053299|0.064674|0.058585|0.115170|0.110402|0.198837|0.227299|0.167753|0.142502|0.300164|0.500000| |1.765256|2.027200|2.264960|2.674518|2.754901|2.365275|2.062668|16.862262|2.988196|4.420313|4.421795|4.032384|5.674101|6.977031|12.337950|0.181315|17.641493|6.953260|2.788859|4.263601|2.841802|2.441235|2.336448|2.542449|2.990809|3.223091|15.968272|4.317434|3.481489|2.897818|2.339396|2.147736|1.839444|1.736616|1.837264|1.696330|3.052753|0.047074|0.046088|0.048659|0.060137|0.052261|0.107176|0.105176|0.140037|0.176076|0.209520|0.143482|0.299235|0.299067|0.500000| |2.303326|2.712322|3.309619|4.137971|3.783904|2.971915|2.608775|19.055949|3.382908|5.721420|4.417924|3.860878|4.692494|7.174372|12.301250|0.223655|5.623419|17.666157|2.636537|4.189617|2.442883|2.136801|1.957863|1.994303|2.227860|2.505500|12.382815|3.172583|2.801527|2.302382|1.807638|1.741576|1.527879|1.457637|1.498290|1.459598|5.849455|0.062555|0.057822|0.063290|0.090388|0.063382|0.093463|0.116521|0.125314|0.112373|0.178311|0.227020|0.146546|0.126125|0.142597|0.500000| |2.061335|2.366077|2.796992|3.316761|3.092154|2.547932|2.283446|16.676906|2.861782|4.590842|3.821563|3.248549|4.121275|5.597873|12.295588|0.224445|7.138313|17.648447|2.360419|3.768649|2.246591|1.967309|1.838308|1.912865|2.159353|2.378972|12.094156|3.159263|2.737902|2.223634|1.746400|1.659831|1.465181|1.399260|1.452452|1.388638|4.257573|0.055448|0.052291|0.057770|0.077224|0.056508|0.081146|0.092046|0.113934|0.106287|0.144078|0.148052|0.222895|0.146271|0.171353|0.299331|0.500000| |1.913974|2.201975|2.560261|3.062660|2.963991|2.453964|2.167009|16.569894|2.914339|4.593663|4.046311|3.653556|4.569137|6.960447|12.330862|0.181444|7.065218|17.646429|2.492729|3.911914|2.416380|2.131305|1.999433|2.078522|2.330709|2.549978|13.095004|3.415100|2.919540|2.448716|1.962640|1.882076|1.636335|1.539603|1.585860|1.554263|3.834082|0.051964|0.049026|0.052659|0.069620|0.053984|0.093400|0.106060|0.115014|0.119247|0.212571|0.176062|0.179210|0.142947|0.209041|0.299069|0.299219|0.500000| |1.815483|2.076970|2.051510|2.287309|2.720703|2.788271|2.378949|25.819433|3.906778|4.327836|6.771541|4.352307|3.374320|2.782081|3.181633|0.064364|2.241778|2.044335|7.178764|12.447597|8.913022|17.745996|8.925855|5.655702|4.944421|5.643385|27.724948|5.706693|6.553862|5.082491|3.373836|3.186504|2.760269|2.961942|3.110874|2.514727|2.144867|0.048192|0.050564|0.047184|0.051389|0.065094|0.139531|0.109199|0.088600|0.093664|0.075608|0.075962|0.055624|0.066983|0.061907|0.056968|0.051829|0.055981|0.500000| |1.484321|1.660116|1.657132|1.824869|2.082371|2.092120|1.843675|17.990163|2.735471|3.243001|4.542485|3.241716|2.784102|2.369581|2.800187|0.055717|2.057424|1.820681|4.132031|6.883931|5.642917|8.924094|17.755664|8.908317|5.634717|4.950016|46.891259|8.045469|11.075018|9.034778|5.015862|4.474030|3.891555|4.567090|5.137539|3.281249|1.761621|0.039618|0.041243|0.039206|0.042388|0.050497|0.105884|0.081565|0.072384|0.081855|0.066467|0.062855|0.051503|0.061503|0.058130|0.049737|0.046707|0.050789|0.214700|0.500000| |1.543728|1.746606|1.789651|2.013579|2.276508|2.195312|1.907676|18.167320|2.968285|3.647075|5.039416|3.851543|3.917699|3.116422|3.825839|0.075432|3.071500|2.340536|4.082851|6.129413|5.634823|4.945717|5.639736|8.947524|17.763959|8.880005|47.713094|13.919190|8.938456|6.382815|4.513848|3.417946|2.854640|2.929890|3.541820|2.379999|1.998861|0.040625|0.042208|0.041677|0.045948|0.051024|0.122579|0.088996|0.102592|0.132734|0.086394|0.076462|0.075202|0.098946|0.086727|0.060983|0.060573|0.064945|0.107452|0.124266|0.500000| |1.928091|2.255322|2.322461|2.699849|3.207225|3.049495|2.522182|26.358273|4.702186|5.475053|8.893718|6.350936|6.501661|4.317705|5.043482|0.102901|3.827610|2.892056|6.938588|9.137409|8.899168|5.634309|4.949009|5.668454|8.944465|17.731167|27.894287|7.002195|6.010996|4.429107|3.210604|2.732587|2.307680|2.340813|2.624696|2.034425|2.626106|0.050053|0.052380|0.051701|0.058188|0.066237|0.187604|0.129722|0.179068|0.217701|0.110475|0.105016|0.090402|0.128967|0.101397|0.076241|0.073398|0.077222|0.124076|0.107512|0.214591|0.500000| |1.354927|1.515297|1.564081|1.748366|1.930536|1.845065|1.628157|14.851490|2.411453|3.051169|3.980492|3.256547|3.063034|2.720493|3.233928|0.061605|2.492225|2.109910|3.128437|4.845936|4.029088|4.339173|5.480508|6.722932|5.675845|4.439167|49.889342|11.913605|8.332494|12.421201|17.598360|8.855134|5.493323|4.914646|5.624488|4.073650|1.770160|0.036402|0.036941|0.036290|0.040682|0.043541|0.109862|0.082183|0.075535|0.096746|0.081253|0.068796|0.061453|0.073606|0.074460|0.055864|0.053768|0.061079|0.102388|0.142559|0.150507|0.105372|0.500000| |1.208478|1.334391|1.372542|1.513284|1.646409|1.584574|1.422151|12.555758|1.984714|2.542516|3.159220|2.521442|2.442266|2.231223|2.750041|0.052714|2.146672|1.831174|2.465793|3.949062|3.022749|3.242321|4.014580|4.795487|4.148153|3.312761|45.298555|12.057876|8.189348|12.313310|17.533829|8.801287|6.716270|5.710090|6.925312|4.484392|1.534475|0.032542|0.033034|0.032539|0.036002|0.038264|0.080912|0.064836|0.061838|0.076041|0.066221|0.056935|0.054207|0.062873|0.064096|0.048390|0.047453|0.053112|0.079703|0.111414|0.118183|0.082146|0.302755|0.500000| |1.297113|1.438953|1.474747|1.629907|1.790337|1.730709|1.544617|13.884771|2.193459|2.776968|3.516042|2.806266|2.514653|2.314269|2.736627|0.052597|2.027706|1.843594|2.782485|4.487470|3.361879|3.928266|4.730642|4.539986|3.707304|3.285487|32.750133|6.984855|6.713095|9.519313|8.894763|17.516345|8.840492|6.841453|5.716104|6.935989|1.638787|0.035188|0.035511|0.034475|0.038466|0.041593|0.092525|0.074602|0.062725|0.074704|0.068932|0.060960|0.050768|0.058384|0.059864|0.050013|0.046959|0.053372|0.102168|0.143123|0.093979|0.079064|0.217392|0.173598|0.500000| |1.219858|1.347771|1.393971|1.540193|1.665971|1.591774|1.429024|12.487025|1.986738|2.572151|3.136097|2.560189|2.398227|2.267626|2.731629|0.051871|2.062806|1.861826|2.399387|3.852719|2.830565|3.088795|3.581279|3.740231|3.293568|2.901474|28.566137|6.802043|5.795482|7.674218|8.915680|17.530939|8.803598|5.525447|4.892527|6.833665|1.573392|0.033154|0.033228|0.032642|0.036660|0.038293|0.082799|0.068368|0.059621|0.072255|0.068847|0.058998|0.051895|0.058770|0.062114|0.049918|0.047627|0.054736|0.079498|0.102309|0.088289|0.072432|0.213207|0.215534|0.302193|0.500000| |1.088173|1.187656|1.214115|1.320728|1.423151|1.383043|1.259781|10.855649|1.672232|2.153537|2.587019|2.025303|1.921533|1.804117|2.235417|0.043194|1.700844|1.529747|2.018433|3.338181|2.358915|2.612264|3.108956|3.263794|2.801554|2.422982|28.332497|6.647239|6.222735|7.907149|6.873169|8.926923|17.482008|8.924235|6.866904|8.921253|1.334036|0.029537|0.029863|0.029218|0.032032|0.034137|0.063483|0.053803|0.049251|0.057501|0.053319|0.047331|0.043635|0.048849|0.050289|0.041092|0.039834|0.044361|0.068125|0.093105|0.076646|0.060847|0.140465|0.200691|0.174326|0.215722|0.500000| |1.185843|1.297765|1.307571|1.418246|1.555924|1.541536|1.399340|12.448795|1.878688|2.354217|2.932438|2.211133|2.005813|1.832536|2.229069|0.043728|1.656634|1.507664|2.393530|4.046818|2.840828|3.431916|4.289926|3.985183|3.129281|2.746839|32.679265|6.470658|7.875789|9.527964|5.731049|6.839715|8.836668|17.520183|8.899925|6.927544|1.401911|0.032111|0.032824|0.031556|0.034151|0.038289|0.069826|0.058548|0.051873|0.058890|0.052992|0.048841|0.042275|0.048089|0.047903|0.041089|0.039064|0.042967|0.092478|0.147400|0.080232|0.066482|0.128806|0.131961|0.201024|0.139660|0.174254|0.500000| |1.076919|1.169592|1.179820|1.271803|1.380145|1.365433|1.251134|10.862036|1.630086|2.067958|2.505001|1.893476|1.764445|1.632048|2.022840|0.039688|1.520603|1.378947|2.009350|3.410811|2.340281|2.695943|3.266233|3.242738|2.671474|2.332118|28.467188|6.066534|7.084530|7.675670|4.901826|5.526225|8.807285|17.541664|8.933368|6.833454|1.263652|0.029185|0.029803|0.028820|0.031012|0.034269|0.058752|0.050223|0.045992|0.052025|0.047232|0.043362|0.039195|0.044013|0.044080|0.037399|0.036045|0.039396|0.072046|0.104817|0.071233|0.057859|0.107983|0.127946|0.139745|0.123432|0.215563|0.302581|0.500000| |1.117856|1.220629|1.236249|1.341334|1.460585|1.436898|1.307337|11.471465|1.744715|2.209711|2.719637|2.068225|1.973362|1.795445|2.242171|0.043895|1.724381|1.504886|2.184663|3.639452|2.629231|2.945940|3.730942|4.152603|3.384070|2.765833|44.878792|9.860241|10.506025|12.275089|6.942240|5.717540|6.739542|8.825940|17.509456|4.494864|1.337300|0.030088|0.030857|0.030074|0.032433|0.035663|0.064577|0.053584|0.051472|0.059700|0.051897|0.046816|0.044314|0.050635|0.050148|0.040277|0.039447|0.042959|0.074819|0.113104|0.093885|0.068377|0.142298|0.205043|0.132018|0.128165|0.201624|0.173816|0.216085|0.500000| |1.170625|1.279259|1.283644|1.388954|1.527777|1.522243|1.383682|12.365241|1.852002|2.307563|2.896461|2.146158|2.001214|1.793438|2.220613|0.043893|1.683898|1.482155|2.396413|4.059514|2.913926|3.429084|4.532913|4.711990|3.591429|2.962673|49.476705|8.982214|14.417492|12.433491|5.641455|4.910800|5.487699|8.832793|17.688859|4.068155|1.366930|0.031440|0.032497|0.031352|0.033487|0.038002|0.067013|0.055426|0.052617|0.059805|0.051166|0.047198|0.043187|0.049718|0.048318|0.039997|0.038773|0.041898|0.088032|0.149170|0.095008|0.071614|0.127089|0.142503|0.128647|0.107935|0.140380|0.216914|0.212695|0.301895|0.500000| |1.089663|1.187537|1.218213|1.323884|1.417195|1.371566|1.252969|10.652452|1.642207|2.134998|2.510184|1.984126|1.849915|1.779148|2.182011|0.042006|1.623458|1.520585|1.926814|3.202853|2.179263|2.411453|2.713126|2.683861|2.368958|2.161842|20.682890|4.814113|4.645432|5.255941|4.522687|6.847673|8.775992|5.470865|4.053517|17.545608|1.343568|0.029816|0.029829|0.029127|0.032244|0.033868|0.061867|0.054192|0.047076|0.054119|0.053088|0.047455|0.041648|0.045830|0.048101|0.041340|0.039338|0.044396|0.065071|0.081129|0.063364|0.054803|0.108426|0.118781|0.171894|0.203826|0.213306|0.140850|0.140128|0.107413|0.094762|0.500000| |1.042546|1.130136|1.149194|1.239371|1.330060|1.302384|1.196936|10.176330|1.540987|1.987288|2.342114|1.808662|1.684413|1.601452|1.979679|0.038509|1.474195|1.374160|1.826922|3.084770|2.066431|2.322632|2.651024|2.595323|2.248679|2.038848|20.670724|4.692946|4.862200|5.257226|4.057702|5.474135|8.783173|6.847372|4.523524|17.553614|1.245248|0.028479|0.028701|0.027871|0.030389|0.032596|0.055894|0.049078|0.043457|0.049138|0.047044|0.042872|0.038047|0.041931|0.043168|0.037440|0.035791|0.039704|0.063212|0.081628|0.060069|0.051493|0.094872|0.107209|0.140997|0.140178|0.213419|0.171752|0.203868|0.119113|0.108300|0.301808|0.500000| |1.142118|1.246652|1.268833|1.376952|1.488764|1.455371|1.326941|11.467751|1.750492|2.243555|2.688550|2.087420|1.898865|1.797311|2.180995|0.042333|1.604626|1.507449|2.107157|3.538251|2.395300|2.752261|3.126772|2.945777|2.514748|2.309170|22.235017|4.901775|5.112084|5.781618|4.529439|6.794830|8.778938|6.795445|4.526850|17.530955|1.380620|0.031219|0.031410|0.030372|0.033393|0.036048|0.065451|0.056955|0.048512|0.055069|0.052976|0.048328|0.041027|0.045626|0.046975|0.041294|0.038893|0.043552|0.075777|0.097663|0.065538|0.057550|0.108989|0.110466|0.205536|0.167057|0.173523|0.205361|0.167212|0.110661|0.108848|0.301387|0.301616|0.500000| |3.361475|4.291312|5.946280|8.857234|6.613907|4.565430|3.945315|25.634077|4.447382|8.519004|5.077195|3.922775|4.478819|5.284819|7.839529|0.200720|4.107398|5.662773|2.949752|4.841279|2.555907|2.199493|1.958684|1.957700|2.189973|2.545667|11.958059|3.011552|2.764356|2.183471|1.662030|1.591769|1.414790|1.381377|1.428516|1.349673|17.486638|0.088329|0.080996|0.092614|0.155089|0.089943|0.089991|0.116645|0.138318|0.101937|0.117590|0.179678|0.109421|0.106945|0.097945|0.195191|0.146040|0.121930|0.059557|0.049612|0.058985|0.078443|0.050895|0.044106|0.046133|0.044627|0.037804|0.039328|0.035579|0.038120|0.038757|0.037665|0.034866|0.038487|0.500000| |3.324223|4.252937|5.850094|8.850266|6.747191|4.607347|3.943482|26.044556|4.569792|8.845041|5.205553|4.120713|4.236264|5.129017|6.490579|0.143521|3.477448|4.942246|3.009087|4.954667|2.582833|2.266900|2.000627|1.959495|2.145966|2.488008|11.924899|2.961630|2.751763|2.218488|1.696964|1.654251|1.466364|1.424014|1.453027|1.414460|17.543235|0.091170|0.080330|0.087478|0.151319|0.089929|0.094888|0.134233|0.120139|0.095715|0.120766|0.195557|0.089807|0.090275|0.088277|0.181682|0.119085|0.116395|0.062485|0.051074|0.056879|0.074270|0.051907|0.044629|0.048489|0.046524|0.038891|0.040833|0.036610|0.038524|0.039304|0.039588|0.036410|0.040668|0.300603|0.500000| |3.827508|4.732168|7.268792|8.865921|5.558102|4.179550|3.952107|22.600113|3.597202|6.402484|4.114163|3.110071|3.290576|3.787878|5.344412|0.122709|3.053528|4.210050|2.497628|4.224431|2.176408|1.932014|1.730973|1.708011|1.865181|2.125905|10.585890|2.644767|2.471492|1.958018|1.486621|1.445062|1.298834|1.268102|1.297540|1.254250|17.596953|0.105570|0.088534|0.105126|0.224727|0.090039|0.074139|0.094880|0.097036|0.078013|0.091548|0.127011|0.082977|0.079578|0.076556|0.146450|0.111893|0.098319|0.053266|0.044534|0.050071|0.063695|0.044973|0.039470|0.041977|0.040563|0.034681|0.036208|0.032865|0.034622|0.035277|0.035064|0.032556|0.035887|0.302144|0.301478|0.500000| 2278.817002 -13879.391371 5301.344598 -254.965059 -6554.194830 4273.051851 -2281.142979 2.001021 408B00000000007C 4539EF073610E1E3 44B7759F66475B43 420A733948000003 B802C8990E8C50A1 43F759719522BD92