Version2.0 2020-07-19T12:20:20Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 11-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(c(c(c1)C2=NN=C(C2)C(=O)N[C@H]3[C@H]([C@@H]4CCC[C@@H]4S3)C(=O)NCCc5ccccc5)O)C C38576785 RHF 6-31G(d) (6D,7F) Cc1cc(c(c(c1)C2=NN=C(C2)C(=O)N[C@H]3[C@H]([C@@H]4CCC[C@@H]4S3)C(=O)NCCc5ccccc5)O)C C01[X(C28H32N4O3S1)] 198 C1 608 Cc1cc(C)c(c(c1)C1=NN=C(C1)C(=O)N[C@@H]1S[C@@H]2[C@H]([C@@H]1C(=O)NCCc1ccccc1)CCC2)O Cc1cc(C)c(c(c1)C1=NN=C(C1)C(=O)N[C@@H]1S[C@@H]2[C@H]([C@@H]1C(=O)NCCc1ccccc1)CCC2)O Cc1cc(C)c(O)c(c1)C2=NN=C(C2)C(=O)N[C@@H]3S[C@H]4CCC[C@H]4[C@@H]3C(=O)NCCc5ccccc5 InChIKey=WIOWUWAPQLLXCU-HWYVFTMYSA-N InChI=1S/C28H32N4O3S/c1-16-13-17(2)25(33)20(14-16)21-15-22(32-31-21)26(34)30-28-24(19-9-6-10-23(19)36-28)27(35)29-12-11-18-7-4-3-5-8-18/h3-5,7-8,13-14,19,23-24,28,33H,6,9-12,15H2,1-2H3,(H,29,35)(H,30,34)/t19-,23+,24-,28-/m1/s1 InChI=1/C28H32N4O3S/c1-16-13-17(2)25(33)20(14-16)21-15-22(32-31-21)26(34)30-28-24(19-9-6-10-23(19)36-28)27(35)29-12-11-18-7-4-3-5-8-18/h3-5,7-8,13-14,19,23-24,28,33H,6,9-12,15H2,1-2H3,(H,29,35)(H,30,34)/t19-,23+,24-,28-/m1/s1/f/h29-30H Cc1cc(c(c(c1)C2=NN=C(C2)C(=O)N[C@H]3[C@H]([C@@H]4CCC[C@@H]4S3)C(=O)NCCc5ccccc5)O)C C01[X(C28H32N4O3S1)] 198 C01 608 Cc1cc(C)c(c(c1)C1=NN=C(C1)C(=O)N[C@@H]1S[C@@H]2[C@H]([C@@H]1C(=O)NCCc1ccccc1)CCC2)O C[C]1[CH][C]([C]([C]([CH]1)[C]1[N]N=C(C1)[C]([NH][C@@H]1S[C@@H]2[C@H]([C@@H]1C(=O)NCC[C]1[CH][CH][CH][CH][CH]1)CCC2)=O)O)C C[C]1[CH][C](C)[C](O)[C]([CH]1)[C]2CC(=N[N]2)C(=O)N[C@@H]3S[C@H]4CCC[C@H]4[C@@H]3C(=O)NCC[C]5[CH][CH][CH][CH][CH]5 InChIKey=WIOWUWAPQLLXCU-HWYVFTMYSA-N InChI=1S/C28H32N4O3S/c1-16-13-17(2)25(33)20(14-16)21-15-22(32-31-21)26(34)30-28-24(19-9-6-10-23(19)36-28)27(35)29-12-11-18-7-4-3-5-8-18/h3-5,7-8,13-14,19,23-24,28,33H,6,9-12,15H2,1-2H3,(H,29,35)(H,30,34)/t19-,23+,24-,28-/m1/s1 InChI=1/C28H32N4O3S/c1-16-13-17(2)25(33)20(14-16)21-15-22(32-31-21)26(34)30-28-24(19-9-6-10-23(19)36-28)27(35)29-12-11-18-7-4-3-5-8-18/h3-5,7-8,13-14,19,23-24,28,33H,6,9-12,15H2,1-2H3,(H,29,35)(H,30,34)/t19-,23+,24-,28-/m1/s1/f/h29-30H 3845.7113897206 -1918.8732563 1-A 27535.5259 134 474 608 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.94056 -20.58501 -20.55637 -20.52430 -15.62749 -15.60757 -15.60692 -15.57576 -11.38165 -11.34587 -11.31876 -11.31582 -11.31461 -11.30365 -11.27254 -11.26142 -11.25606 -11.25273 -11.25239 -11.24966 -11.24492 -11.24183 -11.24158 -11.23827 -11.23819 -11.23129 -11.23073 -11.23047 -11.22987 -11.22858 -11.22814 -11.22770 -11.22531 -11.22099 -11.21962 -11.21812 -8.95113 -6.63381 -6.63263 -6.63068 -1.42454 -1.41563 -1.39144 -1.38345 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148.74 153.96 160.71 197.17 210.42 230.34 247.89 262.29 286.13 313.65 330.01 353.62 363.51 370.36 405.65 438.64 484.71 494.01 504.31 521.21 536.17 550.79 569.46 596.35 620.31 656.08 660.15 673.06 700.94 712.57 725.13 799.06 819.79 825.08 835.61 846.70 859.78 887.26 914.16 917.92 934.57 946.97 956.23 980.72 999.78 1007.02 1091.01 1122.15 1147.37 1175.38 1195.36 1197.49 1211.83 1214.16 1218.28 1278.50 1283.53 1298.61 1312.84 1352.08 1377.51 1387.74 1407.29 1412.06 1414.26 1425.48 1457.94 1477.81 1485.93 1488.04 1505.01 1507.90 1510.98 1551.82 1568.48 1575.72 1580.19 1599.08 1602.82 1612.90 1615.93 1624.01 1628.29 1657.49 1669.71 1688.73 1694.37 1694.91 1699.93 1703.97 1735.80 1757.17 1773.73 1780.56 1804.56 1828.94 1837.88 1872.96 1874.22 1886.56 1891.01 1898.11 1900.73 1928.54 1950.20 1957.13 1972.74 1986.01 2000.79 2020.30 2043.72 2055.30 2059.06 2075.19 2079.98 2092.54 2119.64 2126.19 2132.57 2137.76 2142.35 2160.42 2180.85 2214.45 2217.63 2232.57 2240.29 2258.79 2261.11 2264.50 2283.92 2316.85 2331.91 2338.62 2346.07 2356.88 2363.74 2366.05 2368.26 2381.37 2390.76 2394.57 2405.48 2467.12 2494.33 2534.87 2568.67 2592.48 2608.16 2634.01 2656.54 2777.80 2799.76 4605.75 4610.80 4613.48 4616.75 4617.95 4625.56 4632.32 4645.41 4670.10 4675.21 4675.57 4679.60 4690.04 4699.10 4711.65 4713.99 4714.38 4728.83 4732.82 4745.38 4776.55 4797.15 4814.73 4818.88 4820.12 4837.61 4847.00 4852.69 4872.00 5544.30 5550.88 5599.48 0.605853 0.637742 0.638686 0.535010 -1918.267403 -1918.235514 -1918.234570 -1918.338247 3.477344D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE Cc1cc(c(c(c1)C2=NN=C(C2)C(=O)N[C@H]3[C@H]([C@@H]4CCC[C@@H]4S3)C(=O)NCCc5ccccc5)O)C C38576785 RHF 6-31G(d) (6D,10F) C1 504.219513 |X|Y|Z| 130.300430 96.668010 34.822578 75.979515 31 6 7 16 26 4 1 |36.858105| |12.609534|36.858105| |7.531363|13.582780|36.858105| |4.997568|7.808411|13.865718|36.858105| |4.408965|6.778763|7.971700|13.554223|36.858105| |4.980466|7.844689|6.898401|7.849789|13.641531|36.858105| |7.552191|13.903652|8.041403|6.849561|7.889827|13.551005|36.858105| |3.810255|5.078331|4.510358|5.044032|7.641396|13.027000|7.683443|36.858105| |3.083131|3.938381|3.769264|4.432062|6.580647|7.890555|5.199232|14.898782|53.358707| |2.659868|3.205457|3.006921|3.360039|4.458495|5.290111|4.092478|8.691647|18.592016|53.358707| |2.801339|3.298635|2.960330|3.161533|4.050526|5.157352|4.317147|8.451530|11.951392|20.570542|36.858105| |3.566982|4.318140|3.637730|3.757173|4.877694|7.205714|6.261827|12.664405|11.313950|11.327319|12.766370|36.858105| |2.401904|2.699845|2.432212|2.540724|3.076967|3.714119|3.350048|5.119270|7.179318|10.696224|12.753168|7.204023|36.858105| |2.421108|2.645295|2.337174|2.378012|2.802795|3.409765|3.248790|4.419965|5.760687|7.436887|8.140064|6.464323|15.784908|73.516695| |2.083931|2.332410|2.160440|2.288586|2.739194|3.142191|2.800843|4.137874|6.260986|9.387011|7.945648|5.010282|14.200432|14.985285|53.358707| |1.836297|2.008446|1.867612|1.954267|2.271800|2.554598|2.347515|3.171626|4.647505|6.177386|5.057150|3.750988|7.786883|11.991023|17.891875|36.858105| |1.868802|2.019264|1.855194|1.914885|2.206701|2.511919|2.359287|3.082822|4.352760|5.589508|4.825304|3.767030|7.651883|14.146422|12.711397|17.679908|0.500000| |1.685594|1.828190|1.712801|1.788802|2.051156|2.269616|2.102748|2.739067|3.998343|5.063245|3.996575|3.144381|5.429954|8.896225|10.331105|12.361157|0.242939|36.858105| |1.583962|1.697093|1.587900|1.644278|1.861216|2.052608|1.931422|2.427100|3.479088|4.262072|3.389033|2.783961|4.484841|7.876072|7.686334|8.995803|0.225915|17.517419|0.500000| |1.568371|1.711926|1.632227|1.726420|1.975417|2.132219|1.947425|2.541737|3.821086|4.759743|3.500945|2.777668|4.291920|6.735847|8.122007|7.647364|0.155132|12.419071|0.246604|36.858105| |1.637084|1.806119|1.731710|1.850083|2.137290|2.294886|2.063796|2.762046|4.249974|5.360607|3.801995|2.962613|4.471166|6.723554|8.527683|6.676628|0.136553|8.910793|0.175206|17.596853|0.500000| |1.409067|1.521267|1.458209|1.533695|1.725315|1.840026|1.702843|2.132635|3.153843|3.749323|2.757503|2.298409|3.238842|5.326977|5.522369|4.914312|0.114016|7.340748|0.195676|12.292492|0.242782|36.858105| |1.305659|1.406080|1.356538|1.428488|1.595860|1.684616|1.560848|1.929997|2.858218|3.343688|2.429803|2.052425|2.794799|4.621151|4.680010|4.142909|0.099114|5.237751|0.148713|7.734324|0.167922|12.374978|36.858105| |1.356409|1.462488|1.404931|1.478291|1.659114|1.763214|1.632382|2.037465|3.018786|3.582349|2.623277|2.188507|3.084318|5.092093|5.280044|4.972700|0.118218|5.720352|0.166556|7.781059|0.160161|7.876349|12.437732|36.858105| |1.510868|1.649409|1.581057|1.677105|1.913809|2.048695|1.867288|2.426810|3.671369|4.533646|3.278801|2.618039|3.938852|6.189471|7.361826|7.083028|0.148834|7.657791|0.188076|12.307443|0.243276|7.736800|8.003036|12.439396|36.858105| |1.500243|1.649677|1.597406|1.711542|1.958034|2.067267|1.861923|2.441333|3.769193|4.614348|3.206352|2.563267|3.661038|5.633357|6.695149|5.615349|0.121819|5.705805|0.138071|8.766192|0.227112|6.326734|6.912777|8.889398|17.599342|0.500000| |1.651243|1.804160|1.707944|1.801411|2.071906|2.262517|2.068588|2.728727|4.079369|5.176063|3.894943|3.039078|4.977366|7.811743|9.535151|10.444431|0.221857|7.124778|0.179813|6.950739|0.162462|4.774904|4.679944|6.663544|10.416200|0.221111|388.023441| |1.768351|1.912770|1.780097|1.847934|2.115742|2.360776|2.205368|2.838658|4.063577|5.043154|4.070823|3.296186|5.349511|9.076570|8.767769|7.354700|0.176680|12.452477|0.250373|7.497144|0.197544|5.877492|4.118473|4.068750|4.929399|0.115879|33.010258|36.858105| |1.702318|1.845192|1.735999|1.812115|2.064746|2.266589|2.106336|2.683162|3.881103|4.685416|3.620254|3.002756|4.344914|7.200459|6.933597|5.325781|0.127876|7.993983|0.177002|6.904883|0.202900|6.143788|4.124326|3.784986|4.456142|0.109978|27.622273|15.853892|73.516695| |1.884940|2.015336|1.843010|1.883478|2.145750|2.443004|2.335798|2.924399|4.023155|4.894802|4.194085|3.545595|5.661758|10.879289|7.953133|6.346811|0.179561|7.787803|0.194136|5.049857|0.133984|4.238753|3.273832|3.332456|3.873218|0.093115|28.587213|14.079925|15.085479|53.358707| |1.959632|2.075571|1.886573|1.908149|2.152068|2.455653|2.389841|2.871054|3.851029|4.474949|3.809317|3.449394|4.617701|8.950452|6.002536|4.368205|0.123516|4.994808|0.128583|3.823566|0.106330|3.424883|2.723508|2.698168|3.047472|0.076251|22.076749|7.790662|12.209431|17.858883|36.858105| |1.951649|2.017325|1.812650|1.799936|1.995732|2.285601|2.294112|2.601111|3.394341|3.826401|3.287865|3.148602|3.903367|8.106836|4.882477|3.639964|0.109027|3.920895|0.107795|3.074696|0.083517|2.828059|2.354396|2.369357|2.595086|0.065117|19.358610|5.144944|8.064724|10.599629|12.447779|36.858105| |1.974071|2.010350|1.804870|1.773033|1.935857|2.200663|2.247519|2.430092|3.131019|3.406313|2.862017|2.859610|3.179332|6.365191|3.962276|2.870056|0.083929|3.055422|0.083356|2.547463|0.070552|2.396977|2.033070|2.018976|2.187172|0.056057|16.068223|3.856974|6.531573|6.829847|7.542623|12.585685|36.858105| |1.758927|1.785654|1.627833|1.604701|1.734265|1.932206|1.962235|2.104170|2.750595|2.966259|2.421673|2.397713|2.654242|5.147589|3.420335|2.517480|0.072429|2.750533|0.076040|2.365477|0.065371|2.301282|1.959665|1.910743|2.030352|0.052258|14.540379|3.426542|6.059610|5.646884|5.763672|7.545136|13.695450|36.858105| |1.729872|1.737179|1.589542|1.556448|1.660369|1.832962|1.879163|1.955209|2.542809|2.685937|2.163229|2.183472|2.302411|4.402513|2.960787|2.151600|0.061456|2.313799|0.063637|2.046285|0.057065|2.001996|1.734240|1.687089|1.784836|0.046523|12.749940|2.792864|5.021846|4.401524|4.205065|5.009369|7.888827|13.757909|36.858105| |1.895463|1.880097|1.705576|1.650424|1.747131|1.937735|2.020209|2.036199|2.605883|2.707091|2.187263|2.268503|2.276261|4.360747|2.870896|2.046364|0.058575|2.145447|0.058405|1.905737|0.053582|1.836488|1.606548|1.578018|1.683250|0.044213|12.180253|2.548292|4.541468|4.007541|3.756898|4.420950|6.814222|7.933353|13.746141|36.858105| |2.174217|2.148554|1.912901|1.835283|1.953519|2.208509|2.336008|2.326199|2.920927|3.027099|2.493699|2.646336|2.579915|5.025379|3.166590|2.220526|0.064113|2.278855|0.061472|1.995338|0.056278|1.882466|1.644923|1.635959|1.767856|0.046404|13.024927|2.708718|4.726570|4.367026|4.138772|5.006010|7.888146|6.894473|7.960434|13.758058|36.858105| |2.231381|2.241099|1.979813|1.915100|2.076285|2.387740|2.500222|2.588877|3.248171|3.446084|2.914805|3.055778|3.107127|6.231255|3.749345|2.630170|0.076900|2.693024|0.072444|2.288263|0.064208|2.125326|1.833908|1.837778|2.005797|0.052095|14.953669|3.275643|5.562504|5.576514|5.599214|7.538657|13.708178|7.977591|6.895431|7.933955|13.745393|36.858105| |3.371095|4.600078|5.323691|8.189990|14.294886|7.916455|5.203159|6.568006|9.659010|6.416256|3.966266|4.325524|3.034321|4.783565|3.811474|2.312900|0.061282|2.095639|0.052442|2.062455|0.062739|1.796231|1.669278|1.731219|2.010618|0.058031|15.274748|2.138171|3.744320|2.885844|2.098585|1.914959|1.841336|1.665232|1.587865|1.649980|1.820318|1.939077|73.516695| |3.772183|4.974166|7.546625|12.629326|7.578047|5.012130|4.441027|3.805194|4.937574|3.901872|2.647159|2.974221|2.192457|3.637696|2.763059|1.760408|0.047604|1.629653|0.041770|1.598091|0.047611|1.434946|1.348255|1.387848|1.562017|0.044647|11.759258|1.672717|2.943935|2.291838|1.699904|1.600244|1.579511|1.449982|1.413236|1.488970|1.630248|1.686830|12.385502|36.858105| |17.541277|8.830011|6.690744|4.585106|3.955608|4.274675|5.883008|3.363128|3.808184|3.316028|2.545063|3.152968|2.210506|3.957822|2.642056|1.722302|0.048507|1.602361|0.041900|1.497374|0.043476|1.356425|1.255102|1.294268|1.434389|0.039583|11.012859|1.693994|2.925012|2.453435|1.895218|1.890085|1.941117|1.745880|1.737864|1.920443|2.191579|2.206340|5.538184|3.632811|0.500000| |17.573836|8.840644|5.555088|4.148060|3.940869|4.714420|7.225281|3.833239|4.167096|3.687565|2.936140|3.812515|2.550249|4.665439|2.966638|1.926270|0.055024|1.762375|0.046149|1.619744|0.046712|1.452372|1.340816|1.396768|1.555326|0.042585|12.178966|1.856490|3.151303|2.731263|2.095650|2.116733|2.144161|1.887952|1.850989|2.041278|2.378479|2.456745|5.501152|3.206365|0.302006|0.500000| |17.541485|8.830007|6.692301|4.585758|3.955787|4.274329|5.881965|3.362687|3.808255|3.315872|2.544421|3.151676|2.210387|3.962347|2.638848|1.725238|0.048861|1.579986|0.041456|1.476973|0.042637|1.331261|1.243366|1.296005|1.436198|0.039686|11.190170|1.639683|2.801774|2.367037|1.790059|1.788767|1.799092|1.614950|1.587908|1.727385|1.959294|2.009664|5.538562|3.633409|0.302263|0.302025|0.500000| |7.033375|8.905548|17.685888|9.025996|5.665697|4.962699|5.699451|3.593845|4.242036|3.500573|2.537096|3.029682|2.141193|3.688042|2.620865|1.689906|0.046721|1.562672|0.040512|1.495122|0.043874|1.348527|1.260569|1.301713|1.451680|0.040742|11.082470|1.621993|2.822493|2.283422|1.721801|1.666992|1.672138|1.522192|1.498145|1.610697|1.792030|1.832789|7.637752|7.029890|0.191053|0.140763|0.191129|0.500000| |7.008319|9.014056|5.688191|4.939709|5.629982|8.889474|17.715658|7.139329|6.571931|5.566584|4.613621|7.198644|3.654125|6.523806|4.029156|2.488170|0.070593|2.214636|0.056724|2.012222|0.058733|1.754514|1.599924|1.679682|1.920023|0.052587|15.300912|2.337442|3.917543|3.442206|2.600868|2.536745|2.478190|2.125820|2.022738|2.186330|2.575836|2.797655|7.460171|3.550909|0.152386|0.222303|0.152350|0.124912|0.500000| |3.694141|4.327518|3.557046|3.558046|4.414067|6.329199|6.146114|8.766934|8.533093|8.557230|8.842007|17.566851|6.385012|11.282883|6.147887|3.564153|0.102964|2.938804|0.073941|2.579885|0.074759|2.154256|1.952369|2.107647|2.486876|0.067228|21.058425|3.005596|4.808072|4.456886|3.150184|2.991891|2.712156|2.276576|2.078450|2.164371|2.526891|2.908691|6.851455|2.826986|0.088412|0.112411|0.092408|0.083169|0.209945|0.500000| |3.694620|4.329735|3.559789|3.561518|4.419165|6.336272|6.148883|8.774828|8.536682|8.554551|8.836872|17.564850|6.366352|11.130608|6.178470|3.533410|0.099589|3.087370|0.076465|2.691682|0.079540|2.264881|1.997887|2.099034|2.476023|0.066707|19.925124|3.381687|5.521338|5.121160|3.853804|3.548703|3.284852|2.692964|2.452365|2.584332|3.092576|3.620797|6.858944|2.829541|0.092481|0.112372|0.088380|0.083225|0.209765|0.301773|0.500000| |2.057512|2.334879|2.200113|2.374928|2.876390|3.226873|2.793586|4.279042|6.945897|11.023735|7.677404|4.794711|9.509263|10.873611|26.001135|8.985601|0.181683|6.366315|0.133794|5.951755|0.189301|4.028417|3.478349|3.884634|5.601262|0.152645|47.636399|5.458874|8.406163|6.434925|3.801958|3.107283|2.612710|2.298969|2.022609|1.969381|2.154186|2.497947|5.381093|2.125954|0.053323|0.058997|0.053291|0.054362|0.080089|0.117616|0.117839|0.500000| |1.390764|1.488886|1.418157|1.478490|1.653525|1.775272|1.663133|2.045583|2.971619|3.503034|2.638572|2.235495|3.143031|5.342745|5.184204|4.728507|0.115386|7.353410|0.225955|8.755585|0.180135|17.557917|8.796421|6.567737|6.055671|0.135665|30.933285|6.260950|11.285846|6.288600|3.695998|3.084093|2.576754|2.494672|2.140533|1.936043|1.972015|2.239215|3.025802|1.378145|0.037248|0.040030|0.036481|0.036512|0.047959|0.058616|0.061925|0.101082|0.500000| |1.394203|1.508036|1.453251|1.533368|1.721360|1.821918|1.681366|2.097530|3.112814|3.649378|2.646956|2.228900|3.015051|4.930531|5.012647|4.146409|0.097625|5.810327|0.148514|8.689766|0.226712|17.616667|8.664234|5.683812|5.831415|0.148602|27.936230|5.399340|11.275262|5.363834|3.348828|2.731914|2.368487|2.304043|2.022111|1.851639|1.883147|2.105094|3.201131|1.441698|0.037472|0.039759|0.036504|0.037386|0.047845|0.057469|0.061465|0.103795|0.304828|0.500000| |1.227265|1.312090|1.265739|1.325590|1.468283|1.547215|1.446496|1.752439|2.565089|2.953306|2.164412|1.864081|2.471962|4.171979|4.007183|3.513435|0.087521|4.360822|0.130106|5.611991|0.127883|8.662301|17.564029|8.678467|5.670364|0.139411|27.550793|3.618415|6.473599|4.061814|2.534563|2.237233|1.948778|1.902679|1.689881|1.556816|1.580538|1.750954|2.715189|1.254550|0.032867|0.035038|0.032536|0.032826|0.041243|0.049585|0.050756|0.081578|0.220451|0.193218|0.500000| |1.281854|1.386348|1.347953|1.428576|1.595140|1.666331|1.533531|1.900449|2.843483|3.295749|2.345600|1.986395|2.626005|4.283994|4.367479|3.669201|0.087533|4.391014|0.118718|6.484733|0.159882|8.773153|17.524560|8.833689|6.966483|0.198025|29.863142|3.618756|6.629708|3.966652|2.487660|2.150421|1.888183|1.824632|1.633499|1.523808|1.559041|1.722951|2.995278|1.358335|0.034279|0.036363|0.033949|0.034834|0.043322|0.052266|0.053476|0.092962|0.174764|0.219385|0.302767|0.500000| |1.350260|1.445296|1.378987|1.439261|1.608866|1.723268|1.612568|1.985810|2.895949|3.424934|2.568717|2.166094|3.081134|5.239698|5.157340|5.091515|0.127614|5.886767|0.192764|6.713177|0.137246|6.860594|8.800049|17.542077|8.808285|0.174628|46.224048|4.141872|6.614753|4.755959|2.789736|2.494622|2.099517|1.984244|1.739048|1.618856|1.678191|1.895669|2.952133|1.344779|0.035764|0.038835|0.035860|0.035536|0.046452|0.058523|0.058068|0.101228|0.185472|0.138276|0.214380|0.173576|0.500000| |1.298722|1.399326|1.351530|1.424484|1.591221|1.677192|1.552510|1.920439|2.848917|3.330068|2.412122|2.037295|2.766941|4.574672|4.617183|4.141178|0.101434|4.404673|0.126486|5.589291|0.127925|5.610953|8.644294|17.567195|8.688218|0.218956|41.375758|3.329693|5.575360|3.848914|2.351633|2.101434|1.818184|1.725609|1.540587|1.450861|1.503363|1.674073|2.963300|1.345995|0.034402|0.037019|0.034646|0.034894|0.044158|0.054912|0.053929|0.095978|0.134719|0.125252|0.197837|0.215064|0.302092|0.500000| |1.965439|2.097894|1.900576|1.933222|2.209461|2.549341|2.452450|3.082617|4.184648|5.148729|4.604174|3.872008|6.745680|14.535325|8.891678|7.260352|0.233381|7.404900|0.190800|4.705787|0.122960|3.838536|3.103818|3.294056|3.860056|0.092373|30.874363|9.423169|10.932602|26.022445|9.123877|7.251626|4.683102|3.771935|3.001555|2.799070|3.113743|4.002930|3.849896|1.715267|0.051717|0.058555|0.050488|0.047904|0.074693|0.101643|0.112706|0.138212|0.114279|0.097042|0.078583|0.076850|0.097263|0.078543|0.500000| |2.162488|2.315758|2.091800|2.119095|2.414266|2.791210|2.703842|3.299770|4.377205|5.055351|4.356773|4.004232|5.025242|9.445451|6.218203|4.169724|0.115501|4.494235|0.111246|3.597789|0.104121|3.152691|2.544738|2.530070|2.912359|0.074529|21.284171|6.586990|10.970103|12.340992|17.525102|8.828590|6.939511|5.198513|4.066940|3.835551|4.395536|5.944927|4.157522|1.867455|0.058123|0.064250|0.054223|0.052585|0.081973|0.098160|0.129204|0.111279|0.091182|0.086992|0.065213|0.065818|0.071362|0.061985|0.206614|0.500000| |1.808071|1.912173|1.761142|1.788991|2.001068|2.239198|2.169155|2.574927|3.504706|4.011865|3.278757|2.975874|3.825151|7.092077|5.207792|3.858952|0.105797|4.667040|0.121760|3.783785|0.105779|3.567358|2.787578|2.671685|2.957627|0.074449|20.470487|7.344837|13.614239|12.589040|17.649643|8.813533|6.823537|6.128229|4.442383|3.781803|3.928055|4.956242|3.503751|1.613710|0.048996|0.053205|0.046049|0.044954|0.064563|0.075499|0.091020|0.095146|0.108479|0.099714|0.072752|0.070872|0.076216|0.064527|0.180686|0.303555|0.500000| |1.769531|1.821278|1.651208|1.642949|1.810088|2.046438|2.048306|2.311849|3.053378|3.443637|2.904626|2.747602|3.476510|7.136677|4.514663|3.534135|0.106913|3.919474|0.113159|3.068429|0.081245|2.901581|2.425976|2.435024|2.602101|0.064562|19.226180|4.964583|7.745147|9.708227|8.892958|17.549565|8.881128|7.062380|4.700472|3.969726|4.221622|5.693379|3.110983|1.475123|0.047632|0.053039|0.045508|0.042451|0.062346|0.073582|0.083611|0.080179|0.090276|0.077007|0.064918|0.060802|0.072409|0.059787|0.184566|0.173881|0.213181|0.500000| |2.094337|2.156929|1.912103|1.885900|2.097897|2.441647|2.478315|2.796624|3.584986|4.050676|3.592431|3.503012|4.342657|9.688952|5.169780|3.809477|0.118671|3.850675|0.105680|2.984395|0.080845|2.677388|2.271595|2.340750|2.587724|0.064958|20.066028|4.743906|7.163929|9.720782|8.864010|17.532027|8.910277|5.646282|4.206160|3.977243|4.742782|7.198059|3.541522|1.660024|0.055758|0.063865|0.053296|0.048633|0.077538|0.094427|0.110326|0.089686|0.079968|0.070895|0.059661|0.057746|0.068701|0.058082|0.217525|0.210618|0.173611|0.303276|0.500000| |1.625475|1.659305|1.525379|1.514706|1.639979|1.813205|1.821820|1.985423|2.631473|2.865195|2.318067|2.248156|2.577851|4.955316|3.404120|2.564742|0.073455|2.882079|0.081003|2.482442|0.067813|2.467801|2.086647|2.012566|2.111546|0.053969|14.889488|3.605552|6.442351|5.829666|5.711723|7.006036|8.910352|17.694085|8.934481|5.647362|4.961349|5.659527|2.826963|1.378434|0.044682|0.048159|0.041730|0.039672|0.054422|0.059373|0.068887|0.063593|0.075656|0.068667|0.056740|0.053563|0.058378|0.050201|0.105648|0.134204|0.182000|0.210038|0.142867|0.500000| |1.585805|1.592320|1.471040|1.445033|1.533676|1.674375|1.708367|1.776845|2.330571|2.455102|1.952259|1.957105|2.071645|3.915950|2.703270|1.980362|0.056213|2.146841|0.059415|1.929610|0.053707|1.919022|1.673149|1.614020|1.689259|0.044159|11.931226|2.556299|4.659590|3.914865|3.593905|4.089907|5.627590|8.927453|17.711724|8.910508|5.653197|4.963220|2.624151|1.324087|0.044386|0.046784|0.040684|0.038718|0.050607|0.051857|0.060230|0.051722|0.057100|0.054160|0.045634|0.043889|0.046165|0.041071|0.073944|0.095675|0.108272|0.111472|0.096839|0.216023|0.500000| |1.831215|1.801651|1.645203|1.586042|1.660850|1.823085|1.908150|1.888619|2.418982|2.484393|1.984260|2.069275|2.038333|3.864611|2.584495|1.839733|0.052426|1.920545|0.052311|1.731635|0.048799|1.678101|1.482611|1.453718|1.543394|0.040795|11.131222|2.242420|4.023903|3.446847|3.118476|3.538026|4.921254|5.641734|8.903269|17.715283|8.906690|5.641327|2.787597|1.440459|0.052044|0.054462|0.046508|0.043504|0.056873|0.055031|0.064902|0.049716|0.048878|0.047169|0.040030|0.039285|0.041290|0.037356|0.067238|0.088901|0.087821|0.090384|0.090526|0.124179|0.214562|0.500000| |2.361960|2.293838|2.024600|1.915678|2.016972|2.283682|2.464320|2.357077|2.918362|2.969617|2.438402|2.655334|2.464722|4.775882|2.997597|2.078562|0.059958|2.097757|0.056362|1.855150|0.052553|1.741405|1.537077|1.536500|1.663858|0.043977|12.340291|2.443880|4.257921|3.871931|3.520759|4.086855|5.627336|4.962566|5.652639|8.914408|17.709693|8.921611|3.300748|1.693219|0.066829|0.072318|0.058719|0.052892|0.075765|0.070880|0.086645|0.057074|0.050222|0.048377|0.040966|0.040699|0.043621|0.039480|0.077909|0.105903|0.092081|0.097355|0.112672|0.107656|0.124157|0.214621|0.500000| |2.498297|2.507980|2.173030|2.087013|2.278665|2.679219|2.846427|2.923498|3.586426|3.798220|3.298160|3.565794|3.490461|7.188625|4.057936|2.790236|0.082488|2.767225|0.073761|2.330089|0.065543|2.120863|1.839304|1.868319|2.062932|0.053646|15.711071|3.310097|5.490203|5.693116|5.433792|6.996936|8.916738|5.659546|4.961806|5.647644|8.928856|17.693516|3.733810|1.811117|0.067820|0.077694|0.061981|0.055389|0.090722|0.094954|0.120970|0.074447|0.061507|0.057895|0.048443|0.048057|0.053483|0.047384|0.118351|0.168022|0.126220|0.144905|0.217740|0.124240|0.107667|0.124167|0.215859|0.500000| |3.120128|4.134677|4.444838|6.045910|10.022048|7.721162|4.939439|7.832953|13.857367|8.202978|4.717082|4.910005|3.476607|5.324000|4.384893|2.595475|0.067976|2.327126|0.057562|2.295880|0.070547|1.969250|1.821065|1.895868|2.236022|0.064828|17.054025|2.362783|4.124657|3.160316|2.270923|2.042974|1.939433|1.745338|1.648510|1.700732|1.878120|2.024681|35.369167|5.160964|0.079828|0.081816|0.079830|0.101313|0.115782|0.117551|0.117678|0.098661|0.051498|0.054736|0.045921|0.051079|0.050274|0.050518|0.065942|0.070539|0.058993|0.051757|0.059057|0.046448|0.042475|0.044595|0.052754|0.061010|0.500000| |3.333314|4.270911|5.882358|8.856149|6.757854|4.601177|3.981520|3.662988|4.905479|3.898157|2.609087|2.870702|2.168653|3.576628|2.758609|1.761483|0.047519|1.620406|0.041557|1.599043|0.047580|1.432683|1.356224|1.403152|1.580230|0.045421|11.937193|1.643177|2.882838|2.237128|1.640309|1.541697|1.508333|1.386269|1.344535|1.406618|1.534461|1.596908|12.460288|17.566551|0.087465|0.080578|0.091373|0.152695|0.090628|0.076611|0.074332|0.059371|0.038075|0.039866|0.035005|0.038067|0.037666|0.038000|0.046652|0.049697|0.043256|0.039692|0.044479|0.036805|0.035069|0.037720|0.043995|0.047568|0.145951|0.500000| |3.333012|4.270683|5.881749|8.856353|6.759084|4.601787|3.981653|3.663632|4.905694|3.898543|2.609759|2.871588|2.168724|3.573183|2.762251|1.758354|0.047193|1.644459|0.042001|1.624931|0.048750|1.464072|1.371449|1.400968|1.577850|0.045269|11.723493|1.697598|3.017029|2.309275|1.719680|1.604816|1.588698|1.466047|1.431523|1.504618|1.638103|1.689896|12.463146|17.566856|0.091350|0.080570|0.087471|0.152667|0.090629|0.074293|0.076709|0.059415|0.038946|0.041133|0.035416|0.038532|0.037555|0.037680|0.047611|0.052633|0.045659|0.041070|0.045872|0.038772|0.037346|0.040483|0.047096|0.050046|0.145982|0.303457|0.500000| |3.811617|4.728459|7.251228|8.879717|5.579182|4.167684|3.980155|3.237092|4.149613|3.392805|2.347410|2.641014|1.984378|3.336681|2.503213|1.615463|0.043945|1.503753|0.038814|1.471424|0.043557|1.331990|1.254965|1.289634|1.438771|0.040968|10.813011|1.545678|2.721230|2.127805|1.586047|1.507969|1.499514|1.383060|1.357110|1.435769|1.567453|1.607272|8.904279|17.580433|0.104625|0.088295|0.104643|0.224297|0.090556|0.070777|0.070835|0.053048|0.035696|0.037168|0.032603|0.035068|0.034838|0.034796|0.044223|0.048149|0.041936|0.038735|0.043427|0.036480|0.035413|0.038813|0.045472|0.047786|0.111237|0.300833|0.300833|0.500000| 1917.016080 -12191.915978 4743.787183 -233.472289 -5764.585005 3845.711666 -1918.873338 2.000969 40D8C00000000012 4544247F4D06006C 44C33D9BFD281EF8 42BAF5D4E1090008 37A16C2614EA0775 4500B79E1DA3B11A