Version2.0 2020-02-01T02:49:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 18-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCC[NH+]1CCN(CC1)c2c3c4c(sc3nc(n2)SCc5ccc(cc5)[N+](=O)[O-])COC(C4)(C)C C34750120 RHF 6-31G(d) (6D,7F) CCCC[NH+]1CCN(CC1)c2c3c4c(sc3nc(n2)SCc5ccc(cc5)[N+](=O)[O-])COC(C4)(C)C C01[X(C26H34N5O3S2)] 204 C1 616 CCCC[NH+]1CCN(CC1)c1nc(SCc2ccc(cc2)[N+](=O)[O-])nc2c1c1CC(C)(C)OCc1s2 CCCC[NH+]1CCN(CC1)c1nc(SCc2ccc(cc2)[N+](=O)[O-])nc2c1c1CC(C)(C)OCc1s2 CCCC[NH+]1CCN(CC1)c2nc(SCc3ccc(cc3)[N+]([O-])=O)nc4sc5COC(C)(C)Cc5c24 InChIKey=YEHBNCVQUKXPTH-UHFFFAOYSA-O InChI=1S/C26H33N5O3S2/c1-4-5-10-29-11-13-30(14-12-29)23-22-20-15-26(2,3)34-16-21(20)36-24(22)28-25(27-23)35-17-18-6-8-19(9-7-18)31(32)33/h6-9H,4-5,10-17H2,1-3H3/p+1 InChI=1/C26H33N5O3S2/c1-4-5-10-29-11-13-30(14-12-29)23-22-20-15-26(2,3)34-16-21(20)36-24(22)28-25(27-23)35-17-18-6-8-19(9-7-18)31(32)33/h6-9H,4-5,10-17H2,1-3H3/p+1/fC26H34N5O3S2/h29H/q+1 CCCC[NH+]1CCN(CC1)c2c3c4c(sc3nc(n2)SCc5ccc(cc5)[N+](=O)[O-])COC(C4)(C)C C01[X(C26H34N5O3S2)] 204 C01 616 CCCC[NH+]1CCN(CC1)c1nc(SCc2ccc(cc2)[N+](=O)[O-])nc2c1c1CC(C)(C)OCc1s2 CCCC[NH]1CCN(CC1)c1nc(SCc2ccc(cc2)N(O)O)nc2c1c1CC(C)(C)OCc1s2 CCCC[NH]1CCN(CC1)c2nc(SCc3ccc(cc3)N(O)O)nc4sc5COC(C)(C)Cc5c24 InChIKey=ZHKFYXNKYVLPNX-UHFFFAOYSA-N InChI=1S/C26H36N5O3S2/c1-4-5-10-29-11-13-30(14-12-29)23-22-20-15-26(2,3)34-16-21(20)36-24(22)28-25(27-23)35-17-18-6-8-19(9-7-18)31(32)33/h6-9,29,32-33H,4-5,10-17H2,1-3H3 InChI=1/C26H36N5O3S2/c1-4-5-10-29-11-13-30(14-12-29)23-22-20-15-26(2,3)34-16-21(20)36-24(22)28-25(27-23)35-17-18-6-8-19(9-7-18)31(32)33/h6-9,29,32-33H,4-5,10-17H2,1-3H3 4108.9986180554 -2295.9143809 1-A 34216.8210 140 476 616 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 16902.1553 46576.1375 61370.0919 0.99970 0.02448 0.00205 -0.02448 0.99969 -0.00405 -0.00215 0.00400 0.99999 1 0.00512 0.00186 0.00141 0.10678 0.03875 0.02941 17.61 23.79 25.93 35.46 46.83 57.73 64.65 81.70 91.49 97.20 106.29 107.71 129.20 148.64 164.49 177.75 197.64 229.55 251.56 277.75 304.33 341.38 354.27 363.50 373.20 374.31 383.86 400.80 409.98 419.13 439.34 455.91 474.20 494.41 514.59 539.21 554.06 567.12 593.00 616.92 624.51 645.56 661.19 662.15 677.94 724.37 735.85 753.19 773.02 781.32 807.91 832.72 859.24 909.98 942.61 959.56 998.18 1011.36 1026.91 1040.13 1090.11 1101.67 1135.51 1144.92 1166.85 1178.68 1207.85 1251.02 1261.43 1275.08 1290.70 1308.78 1319.47 1345.54 1369.93 1391.02 1408.06 1410.99 1414.53 1418.33 1433.48 1452.00 1461.54 1481.93 1493.46 1503.77 1543.24 1551.74 1592.03 1593.47 1602.81 1605.37 1610.12 1622.29 1623.68 1646.97 1652.56 1654.64 1667.98 1713.90 1723.55 1742.84 1778.16 1779.41 1791.66 1798.42 1812.42 1833.09 1849.91 1873.26 1877.62 1880.46 1897.34 1900.08 1935.41 1943.99 1956.14 1957.61 1984.66 2014.95 2025.40 2030.64 2049.26 2053.02 2062.06 2068.98 2100.01 2104.90 2107.17 2129.83 2143.76 2155.07 2177.34 2199.34 2214.16 2222.30 2243.07 2248.67 2257.31 2263.71 2264.03 2265.62 2269.14 2276.18 2287.51 2298.79 2335.35 2340.41 2347.05 2348.61 2351.60 2356.05 2359.08 2361.19 2362.60 2363.90 2363.98 2368.30 2375.78 2378.25 2385.37 2391.59 2399.42 2418.36 2466.48 2543.04 2554.74 2587.88 2605.28 2693.07 4547.24 4594.39 4600.59 4612.62 4612.92 4614.11 4618.81 4621.12 4634.13 4653.27 4681.76 4690.51 4700.29 4712.92 4715.45 4716.28 4720.44 4724.43 4724.86 4732.41 4737.28 4739.84 4749.23 4783.33 4786.80 4794.00 4808.25 4812.51 4833.13 4861.06 4861.96 4949.17 4949.46 5294.32 0.629920 0.662317 0.663261 0.560682 -2295.284461 -2295.252064 -2295.251120 -2295.353699 3.440517D-04 MUNgauss RevisionA2.0 retrievium 01-Feb-2020 DUDE CCCC[NH+]1CCN(CC1)c2c3c4c(sc3nc(n2)SCc5ccc(cc5)[N+](=O)[O-])COC(C4)(C)C C34750120 RHF 6-31G(d) (6D,10F) C1 528.210309 |X|Y|Z| 94.612531 156.392222 28.396656 74.899170 27 6 7 8 16 20 4 1 2 |36.858105| |12.468661|36.858105| |7.496423|12.416762|36.858105| |4.900999|7.562394|12.490189|36.858105| |3.755656|4.913006|7.516333|12.639038|53.358707| |3.764635|4.724096|7.238736|9.320679|25.680498|0.500000| |3.431822|4.179088|6.078250|7.556793|17.241271|0.259150|36.858105| |2.757235|3.187350|4.241189|4.945871|10.439165|0.198962|12.537062|36.858105| |2.439433|2.851779|3.602832|4.456202|9.032314|0.165719|7.859191|13.111724|53.358707| |2.528911|3.023319|3.804463|4.969831|10.432114|0.198107|6.660961|7.972207|17.820862|36.858105| |3.012512|3.824095|4.950186|7.655877|17.268190|0.259197|7.732186|6.648060|10.646492|12.540147|36.858105| |2.080481|2.360007|2.864885|3.352054|6.101226|0.119294|5.128105|7.890436|18.303074|7.940743|5.130491|36.858105| |1.859811|2.103200|2.469078|2.891164|4.939625|0.095299|3.951559|5.156258|10.541781|6.072591|4.321798|13.603174|36.858105| |1.805297|2.059721|2.366362|2.818474|4.619081|0.086778|3.568838|4.195456|8.158586|5.322137|4.195711|7.215977|13.055239|36.858105| |1.603225|1.803170|2.030582|2.359896|3.738873|0.071615|2.858505|3.285025|5.820137|3.963544|3.278416|5.160577|8.238409|14.244370|36.858105| |1.485629|1.642488|1.850954|2.092549|3.322493|0.065399|2.570095|3.042126|5.124118|3.434495|2.796287|4.896422|7.320013|7.317242|10.882408|388.023441| |1.660729|1.842624|2.128347|2.413913|3.990835|0.079121|3.168494|4.031412|7.070447|4.403767|3.339699|8.155159|13.652214|8.055388|7.713879|78.116798|36.858105| |1.621556|1.774449|2.053887|2.273410|3.750281|0.076131|3.008156|3.894765|6.265064|3.905924|3.010544|6.990148|7.885535|5.237657|5.050652|50.407650|14.401636|53.358707| |1.766120|1.929001|2.274650|2.495860|4.220285|0.087056|3.470746|4.783634|7.302655|4.344405|3.284862|8.382126|7.094802|4.623864|4.126334|35.108843|8.586901|19.837120|36.858105| |2.010757|2.229169|2.702608|3.019340|5.373507|0.110481|4.572420|7.154711|11.180899|5.863027|4.161315|14.571785|8.054633|5.036017|4.109820|30.951785|7.198223|11.039754|14.286317|53.358707| |1.678428|1.791776|2.093594|2.213713|3.635954|0.076864|2.973296|3.881675|5.290146|3.339931|2.701213|4.962475|4.289784|3.240934|3.012442|25.282157|4.920650|9.701015|10.827580|9.967628|388.023441| |1.448790|1.538369|1.754884|1.855248|2.954541|0.061723|2.358545|2.903818|4.100745|2.689756|2.235999|3.765644|3.652565|2.925662|2.890740|25.941840|4.538801|8.992794|6.829958|6.437507|74.117140|36.858105| |1.368385|1.434217|1.621415|1.684479|2.636224|0.055469|2.091671|2.501386|3.425038|2.289543|1.959811|2.978834|2.851607|2.379871|2.352096|20.210095|3.339425|5.910395|4.606428|4.937255|49.856970|12.610894|36.858105| |1.327150|1.385391|1.557651|1.610433|2.503263|0.053194|1.947476|2.292666|3.137122|2.158215|1.861491|2.665497|2.547341|2.161904|2.138530|18.057960|2.920333|4.962927|3.852767|4.328866|38.677578|7.567699|13.703166|36.858105| |1.253341|1.296034|1.444508|1.476987|2.263518|0.048136|1.755160|2.023234|2.731697|1.893146|1.666605|2.260501|2.159443|1.873085|1.853746|15.298191|2.416021|3.942286|3.053299|3.588591|28.939578|5.022208|7.904671|13.781623|36.858105| |1.221038|1.256111|1.395343|1.418300|2.158607|0.045626|1.691529|1.935176|2.585624|1.771478|1.576426|2.123407|2.029403|1.773958|1.755400|14.366964|2.252937|3.633686|2.814541|3.348258|26.336468|4.466606|6.916220|8.015038|13.784380|36.858105| |1.251109|1.290023|1.437929|1.465018|2.236700|0.046924|1.778927|2.049588|2.730954|1.836425|1.630573|2.263300|2.165324|1.882350|1.861767|15.324225|2.419042|3.939909|3.055394|3.591380|28.970188|5.022096|7.904696|6.859890|7.878636|13.783980|36.858105| |1.324520|1.378111|1.549472|1.595069|2.467402|0.051584|1.979836|2.330917|3.135999|2.075882|1.812046|2.670047|2.556929|2.176070|2.150771|18.100448|2.925623|4.958204|3.856929|4.333712|38.749871|7.567212|13.702749|7.939935|6.859772|8.014880|13.781701|36.858105| |1.147134|1.171361|1.289886|1.301205|1.956743|0.041362|1.524240|1.713223|2.277583|1.574662|1.422042|1.836550|1.758981|1.562702|1.547426|12.452123|1.921620|3.017430|2.324565|2.841583|20.730525|3.328125|4.521333|5.134679|7.782230|13.057200|7.781846|5.134552|53.358707| |1.118988|1.140862|1.251793|1.261180|1.889890|0.040102|1.457362|1.627912|2.170056|1.518456|1.375749|1.738095|1.666179|1.488233|1.474374|11.798585|1.810676|2.817291|2.164360|2.669904|18.954363|2.993525|3.903155|4.686888|7.097427|8.386019|5.427212|4.099147|21.735959|73.516695| |1.117515|1.137189|1.247947|1.254550|1.876012|0.039477|1.469066|1.639702|2.169606|1.492257|1.357706|1.739121|1.668487|1.492253|1.477882|11.809054|1.811756|2.816473|2.164910|2.670745|18.960507|2.993454|3.903092|4.099204|5.427408|8.386067|7.096913|4.686679|21.737048|16.007601|73.516695| |1.502858|1.687316|1.861113|2.153912|3.293539|0.062826|2.475205|2.713055|4.580560|3.241929|2.863198|3.741943|5.070743|7.609619|12.675150|47.530270|4.826627|4.964382|3.115215|4.244417|17.343235|2.387427|2.009475|1.851625|1.634706|1.558442|1.644370|1.865593|1.895560|2.369508|2.377619|36.858105| |1.594093|1.811833|1.985317|2.338314|3.521141|0.066058|2.599115|2.752911|4.655225|3.390818|3.124957|3.561233|4.538403|6.925995|7.987841|33.547965|3.982949|4.247653|2.800794|3.970260|15.841867|2.127056|1.820157|1.691911|1.508013|1.441012|1.513775|1.699994|1.766461|2.215850|2.220877|13.665221|73.516695| |1.762773|2.027541|2.240873|2.686892|4.055802|0.074093|3.046642|3.168416|5.415948|3.822119|3.619563|3.951775|4.874539|7.573302|6.859935|30.092277|3.966872|4.258567|2.904290|4.271931|16.320033|2.130021|1.825672|1.685938|1.505649|1.447185|1.528669|1.718187|1.774428|2.218415|2.238572|7.935314|23.925421|36.858105| |1.952041|2.273043|2.594493|3.198083|5.116513|0.092192|3.860875|4.167792|7.905943|5.474904|4.842436|5.626287|7.132689|12.618109|7.712264|33.516478|4.981515|5.147374|3.586748|5.546832|19.239787|2.420183|2.039765|1.877443|1.657921|1.582074|1.670777|1.896024|1.923441|2.402483|2.413195|6.505839|14.116268|12.357747|36.858105| |1.686542|1.911652|2.103185|2.454106|3.661407|0.067135|2.869914|2.987366|4.857284|3.234996|3.082158|3.616373|4.349307|5.983808|5.771724|28.348361|3.719594|4.102845|2.799067|4.049836|15.995141|2.107915|1.815855|1.656755|1.486706|1.446077|1.544315|1.736961|1.775333|2.205362|2.256217|6.499988|13.901773|12.436442|7.489877|36.858105| |1.820733|2.116548|2.287604|2.770257|3.999449|0.072420|2.899643|2.861392|4.691379|3.484655|3.565374|3.241815|3.692206|4.976776|4.536796|22.777635|3.080531|3.476728|2.436306|3.614680|14.182047|1.846130|1.614141|1.509298|1.363201|1.312067|1.375938|1.526502|1.624305|2.041305|2.053038|5.219170|14.546233|12.499086|7.567458|7.609610|36.858105| |17.553149|8.772079|6.792590|4.517535|4.967694|0.105966|3.301226|2.723340|3.264593|2.506878|2.931696|2.061788|1.832886|1.761425|1.568728|10.437042|1.647662|2.207531|1.775695|2.745530|12.128405|1.467681|1.393022|1.359372|1.286745|1.249938|1.274142|1.344649|1.600814|2.045984|2.031739|1.463298|2.739571|1.688741|1.879567|1.609650|1.729253|0.500000| |17.553892|8.771627|6.786351|4.523052|4.918416|0.099489|3.493863|2.800995|3.314041|2.458314|2.876563|2.085344|1.857985|1.795284|1.594719|10.548897|1.663027|2.218925|1.781911|2.760421|12.107204|1.465993|1.387812|1.339056|1.266761|1.241237|1.277977|1.352221|1.587990|2.015812|2.028121|1.491456|2.799879|1.749055|1.933381|1.694876|1.792763|0.301256|0.500000| |17.584511|8.817022|5.473233|4.075267|4.339216|0.088039|2.922556|2.406909|2.962766|2.262769|2.671150|1.882054|1.706890|1.672995|1.499203|9.873216|1.533984|2.034346|1.612581|2.470820|10.911458|1.340745|1.270277|1.234995|1.170600|1.141894|1.168031|1.232001|1.466289|1.871787|1.868746|1.419017|2.682703|1.660179|1.812896|1.590963|1.730048|0.302056|0.302076|0.500000| |8.856515|17.532246|8.841994|6.949187|6.303789|0.126329|3.746799|2.962910|3.719244|2.990475|3.811456|2.278527|2.051054|2.022739|1.779378|11.502724|1.801533|2.353855|1.866948|2.917972|12.301927|1.495999|1.394368|1.355136|1.267557|1.222518|1.249015|1.332718|1.553249|1.983772|1.963827|1.673908|3.208097|2.000124|2.234885|1.860501|2.107288|0.210671|0.172919|0.213550|0.500000| |8.858098|17.529073|8.845183|6.976532|6.210505|0.115927|4.037558|3.065364|3.794638|2.911191|3.695497|2.311428|2.087027|2.074795|1.817804|11.655470|1.822240|2.368579|1.875038|2.937369|12.286017|1.494849|1.389748|1.335673|1.249048|1.214889|1.253088|1.340578|1.542161|1.957104|1.961274|1.716468|3.305926|2.102146|2.326956|1.995082|2.224642|0.172930|0.210932|0.213365|0.303478|0.500000| |6.931474|8.868565|17.569069|8.811787|9.123275|0.174945|6.609739|4.473544|4.935798|3.613110|4.462011|2.901014|2.479991|2.355759|2.021616|13.186557|2.144590|2.835245|2.323912|3.767061|15.320645|1.794561|1.661623|1.584018|1.471154|1.431256|1.484988|1.601188|1.800103|2.270475|2.284311|1.845458|3.474612|2.220164|2.563368|2.125554|2.238541|0.170517|0.205605|0.141350|0.173914|0.211692|0.500000| |6.867510|8.843410|17.504781|8.858366|9.512735|0.220594|5.545232|4.184352|4.792270|3.788611|4.706036|2.845360|2.427546|2.287814|1.974809|12.997631|2.116225|2.815664|2.312728|3.734558|15.366717|1.798348|1.670533|1.617658|1.502075|1.443894|1.478360|1.588367|1.817635|2.312205|2.287882|1.797896|3.371997|2.107848|2.450913|1.970285|2.126453|0.203776|0.168344|0.140640|0.212515|0.173616|0.302501|0.500000| |4.584680|7.016031|8.844685|17.615492|12.441223|0.219787|5.590727|4.173777|5.451993|4.769734|7.445947|3.108828|2.746739|2.718307|2.302045|14.471692|2.312838|2.952597|2.350549|3.805400|14.838652|1.772788|1.612548|1.554899|1.427857|1.364064|1.399600|1.518878|1.707713|2.172673|2.144687|2.124309|4.130327|2.627309|3.092345|2.352596|2.758909|0.120130|0.112240|0.110195|0.212541|0.176446|0.173285|0.209548|0.500000| |4.493450|6.721053|8.759620|17.615739|12.404697|0.182107|7.102803|4.655561|5.892908|4.600542|6.889997|3.279537|2.895654|2.898057|2.420484|14.996058|2.401239|3.038412|2.417729|3.947335|15.103959|1.800502|1.630255|1.547859|1.420406|1.371376|1.424737|1.553424|1.713575|2.162598|2.166692|2.235683|4.379512|2.897343|3.401111|2.668201|3.045770|0.110379|0.119255|0.107603|0.166564|0.202731|0.212220|0.172922|0.301888|0.500000| |3.282527|4.032967|5.443495|7.009863|12.419830|0.182075|17.628674|8.814911|9.658590|5.861165|7.044389|4.821228|3.940616|3.730976|2.967287|18.448554|3.123283|3.939483|3.236343|5.620699|19.467219|2.232199|1.976109|1.829041|1.653093|1.603261|1.695379|1.886350|1.972134|2.457607|2.495346|2.605811|4.951111|3.375721|4.246662|3.227203|3.242276|0.085272|0.093660|0.079154|0.099948|0.114247|0.166390|0.130006|0.146049|0.217847|0.500000| |3.852535|4.532464|6.893232|6.996160|12.328496|0.224954|17.663257|8.848461|7.702129|4.980117|5.627039|4.195664|3.321543|3.001558|2.486859|16.288073|2.783667|3.693303|3.146899|5.447744|20.136310|2.248585|2.033240|1.900130|1.731300|1.680213|1.766041|1.945973|2.074279|2.589932|2.621554|2.184178|4.042826|2.620627|3.185072|2.520654|2.518516|0.103284|0.112401|0.088769|0.108285|0.118987|0.237998|0.176058|0.142320|0.177500|0.299954|0.500000| |2.568641|2.890265|3.712698|4.112695|7.612506|0.145430|8.982664|17.642690|12.459473|5.725252|4.960017|7.315908|4.998149|4.034387|3.226849|21.701095|4.056155|5.453704|4.983523|9.823411|29.264312|3.047995|2.623656|2.354554|2.079777|2.016429|2.171070|2.488430|2.420720|2.975009|3.046679|2.665355|4.734941|3.071942|3.918591|3.018964|2.732958|0.070089|0.073915|0.062781|0.073842|0.078382|0.112807|0.100567|0.097042|0.111912|0.214478|0.213901|0.500000| |2.746072|3.106405|4.138923|4.566611|9.343167|0.208986|8.836987|17.508822|12.227734|7.117352|5.803274|6.832324|4.565759|3.663476|2.977521|20.348955|3.795407|5.234569|4.911602|9.918081|30.077080|3.046389|2.652671|2.462337|2.168546|2.055088|2.155216|2.443018|2.469443|3.075915|3.065086|2.473250|4.406747|2.764332|3.530655|2.595745|2.520892|0.077211|0.077017|0.066309|0.080994|0.080835|0.119374|0.120162|0.110291|0.113771|0.172999|0.214852|0.303833|0.500000| |2.268037|2.686658|3.230479|4.140612|7.614908|0.145035|4.969754|5.717711|12.400190|17.654279|8.990365|7.357071|6.741255|6.413742|4.665716|27.417809|4.782258|5.471553|4.204049|7.180197|22.526253|2.653830|2.240130|2.117403|1.851483|1.725496|1.784568|2.019642|2.087542|2.634986|2.580184|3.769405|7.075435|4.381173|6.555114|3.505465|3.922426|0.062277|0.061053|0.057318|0.074878|0.072824|0.085015|0.088778|0.114912|0.110265|0.130926|0.109222|0.127456|0.144425|0.500000| |2.510333|2.945389|3.712620|4.580731|9.332676|0.207964|5.810644|7.156803|12.278594|17.444935|8.847506|6.898987|5.210510|4.386843|3.483774|22.764405|4.125680|5.263920|4.437872|8.060142|25.187401|2.798697|2.399143|2.295636|2.007604|1.857599|1.905341|2.147226|2.243219|2.839825|2.756742|2.875504|5.222994|3.188047|4.265671|2.761006|2.936069|0.070574|0.067398|0.062204|0.081667|0.076929|0.097022|0.107634|0.124753|0.112556|0.134444|0.130412|0.145155|0.213000|0.302869|0.500000| |3.012315|3.847840|4.750396|7.128807|12.359503|0.225731|5.628622|4.981048|7.671528|8.824083|17.625832|4.199078|3.704948|3.668925|2.987205|18.311707|2.985871|3.698517|2.920579|4.838372|17.502089|2.076693|1.839625|1.771014|1.594757|1.501659|1.539018|1.696130|1.854438|2.358670|2.307578|2.673597|5.214118|3.285921|4.177687|2.769972|3.339199|0.082303|0.077926|0.075039|0.111808|0.101618|0.113438|0.129226|0.231270|0.170051|0.143708|0.126669|0.109163|0.130611|0.213135|0.215003|0.500000| |2.908537|3.712528|4.584505|7.103980|12.421177|0.182050|7.019584|5.815295|9.569977|8.830756|17.635562|4.806142|4.299841|4.466451|3.446606|20.096272|3.281746|3.934449|3.075556|5.179474|17.877663|2.123114|1.860137|1.754493|1.576072|1.501619|1.562316|1.735717|1.848485|2.329420|2.316945|3.074434|6.174076|4.220824|5.690541|3.536628|4.286970|0.076802|0.077866|0.072637|0.101741|0.104280|0.117859|0.114987|0.187792|0.210266|0.211239|0.143519|0.129936|0.133783|0.215422|0.173192|0.299997|0.500000| |1.418415|1.513006|1.719481|1.832645|2.917201|0.061044|2.282169|2.787955|4.045974|2.726812|2.247281|3.731753|3.734854|3.013389|3.030250|28.002400|4.781165|9.433634|6.476646|6.160895|56.376339|17.650503|8.855019|7.133590|4.725431|3.998173|4.208040|5.656788|4.182965|5.063271|4.865464|2.494914|3.915463|2.168411|2.462288|2.112168|1.877221|0.039950|0.039612|0.036558|0.041162|0.040812|0.048373|0.049020|0.049119|0.049305|0.060036|0.059886|0.079327|0.081199|0.076166|0.079335|0.058549|0.059120|0.500000| |1.415215|1.505176|1.710273|1.814925|2.873647|0.059219|2.318119|2.835228|4.040669|2.604991|2.182591|3.737364|3.755119|3.040787|3.056052|28.133213|4.797532|9.406995|6.480552|6.162400|56.380091|17.649051|8.854733|5.660104|4.209320|3.998021|4.723238|7.126389|4.182812|4.865890|5.062407|2.520384|3.938717|2.218436|2.492222|2.234770|1.901088|0.039571|0.039908|0.036465|0.040544|0.040920|0.048798|0.048213|0.048015|0.049444|0.061905|0.061184|0.084098|0.080452|0.071891|0.073560|0.055965|0.058408|0.302591|0.500000| |1.346098|1.411749|1.588896|1.652733|2.579945|0.055098|1.980309|2.335688|3.239710|2.267060|1.937864|2.760832|2.646933|2.241272|2.218645|18.788768|3.042920|5.158549|3.969182|4.462103|37.989844|7.015424|8.902143|17.722817|8.959050|5.684547|4.945619|5.644191|5.671689|7.176788|6.053888|1.914050|3.107920|1.730494|1.937371|1.679260|1.550336|0.038380|0.037516|0.034793|0.038563|0.037708|0.044542|0.046006|0.044610|0.043927|0.051444|0.053295|0.065539|0.070108|0.062208|0.067746|0.051547|0.050412|0.214075|0.143642|0.500000| |1.217444|1.255549|1.392381|1.419855|2.162914|0.046175|1.658400|1.891144|2.556168|1.797698|1.593480|2.088956|1.998846|1.752078|1.735243|14.166480|2.212067|3.537747|2.725827|3.269987|24.773926|4.088150|5.624621|8.885584|17.788427|8.939796|5.633316|4.950828|9.788577|14.212139|8.838873|1.542884|2.543975|1.424165|1.563260|1.398339|1.298881|0.034832|0.034066|0.031664|0.034247|0.033536|0.039202|0.040363|0.038336|0.037821|0.043334|0.045509|0.053453|0.056456|0.048949|0.053220|0.042695|0.041769|0.111817|0.096873|0.214636|0.500000| |1.213855|1.245980|1.382062|1.401289|2.122183|0.044335|1.694109|1.929434|2.555107|1.714403|1.539124|2.092855|2.007077|1.765481|1.746864|14.202922|2.216157|3.534735|2.728465|3.273720|24.807902|4.088054|5.624647|4.950884|5.633292|8.939521|17.788362|8.885772|9.787746|8.838257|14.210000|1.557257|2.559433|1.458913|1.582356|1.485573|1.318439|0.034267|0.034568|0.031548|0.033425|0.033715|0.039805|0.039329|0.037112|0.038008|0.045111|0.046974|0.057112|0.055922|0.046216|0.049063|0.040333|0.041190|0.096836|0.111753|0.107496|0.124357|0.500000| |1.341249|1.398161|1.573586|1.623587|2.511471|0.052040|2.042149|2.409223|3.237556|2.106092|1.842180|2.769877|2.666176|2.269598|2.243139|18.874003|3.053588|5.149132|3.977343|4.471636|38.113113|7.014702|8.901912|5.644186|4.945560|5.684460|8.959029|17.722857|5.671538|6.053777|7.176411|1.941761|3.136290|1.794119|1.974176|1.837502|1.584004|0.037627|0.038192|0.034640|0.037398|0.037964|0.045435|0.044489|0.042709|0.044222|0.054504|0.055698|0.072687|0.069092|0.056854|0.059717|0.047530|0.049401|0.143511|0.213634|0.124030|0.107495|0.214641|0.500000| |1.432371|1.595289|1.750111|1.998542|3.023991|0.057729|2.310023|2.520048|4.127548|2.850454|2.558177|3.371890|4.415101|6.018679|8.918303|43.299077|4.369996|4.663097|2.926851|3.931254|16.631354|2.324845|1.970442|1.802116|1.599576|1.538834|1.635155|1.853043|1.875815|2.335541|2.365790|17.523635|16.480794|6.731879|5.314362|6.846716|4.651920|0.038666|0.039711|0.037661|0.043726|0.045252|0.048613|0.046853|0.054348|0.057917|0.067972|0.057318|0.070151|0.063821|0.088984|0.070909|0.066127|0.076359|0.066757|0.069253|0.051241|0.041803|0.043279|0.054043|0.500000| |1.422733|1.589841|1.741625|2.001057|3.038068|0.058681|2.246475|2.453453|4.078472|2.973808|2.633628|3.324906|4.350606|5.864606|8.897022|44.090359|4.343714|4.632609|2.893976|3.879555|16.453126|2.307093|1.955817|1.823440|1.612676|1.528531|1.599521|1.804629|1.864009|2.341767|2.330565|17.599582|17.005135|5.820383|5.074910|4.822012|4.424876|0.038655|0.039061|0.037450|0.044109|0.044719|0.047685|0.047077|0.055412|0.057140|0.064787|0.055573|0.066450|0.063317|0.096455|0.075030|0.069771|0.077209|0.067988|0.067090|0.052740|0.042520|0.041974|0.051705|0.302450|0.500000| |2.034676|2.401358|2.738075|3.464410|5.544115|0.099762|3.911919|4.105006|7.812168|6.249927|5.681341|5.219993|6.107094|8.895913|6.200113|29.474361|4.416270|4.729838|3.357395|5.246490|18.360833|2.298664|1.955954|1.826829|1.618000|1.533728|1.603297|1.805902|1.871843|2.352798|2.340141|5.505723|12.318237|8.876297|17.519031|5.526582|7.389554|0.054553|0.055283|0.052510|0.066564|0.067910|0.073485|0.072097|0.095706|0.101130|0.116776|0.089009|0.102662|0.098642|0.228755|0.132209|0.140199|0.187804|0.065575|0.064643|0.052815|0.042685|0.042074|0.051668|0.123090|0.130318|0.500000| |2.119355|2.487361|2.883090|3.596209|5.818894|0.101408|4.619833|4.875444|9.160306|5.763087|5.343335|5.926623|6.625216|8.895615|5.829319|29.026914|4.590580|4.962896|3.607668|5.797704|19.551255|2.401751|2.037880|1.864884|1.653729|1.589240|1.687500|1.913328|1.934566|2.408351|2.436781|4.958417|10.175050|8.799064|17.566765|7.125410|6.566954|0.056225|0.058782|0.054265|0.066879|0.071298|0.080302|0.074415|0.093543|0.108919|0.149151|0.103186|0.128762|0.109038|0.172464|0.121349|0.121137|0.183558|0.066674|0.068753|0.053019|0.043190|0.044586|0.055676|0.122330|0.111350|0.302252|0.500000| |1.563359|1.757432|1.903813|2.190957|3.205590|0.059415|2.479125|2.553826|4.045315|2.760361|2.663698|3.021882|3.571942|4.676496|4.858437|25.333595|3.202902|3.622066|2.458984|3.492458|14.402659|1.933428|1.684673|1.545363|1.396272|1.361604|1.450556|1.619331|1.681290|2.092457|2.141910|6.033439|12.855565|8.839654|5.479970|17.574989|6.877856|0.041457|0.043600|0.041284|0.047718|0.051051|0.053317|0.049677|0.058888|0.065950|0.076522|0.061558|0.071671|0.062835|0.082925|0.066903|0.067954|0.083746|0.053984|0.056996|0.043464|0.036599|0.038906|0.047501|0.190779|0.130829|0.123897|0.142520|0.500000| |1.797941|2.046699|2.251328|2.631404|3.876741|0.070027|3.094055|3.129793|4.952679|3.245911|3.195687|3.537812|4.013469|5.117594|4.609982|24.323069|3.377623|3.836407|2.697035|3.984460|15.628134|2.026521|1.761701|1.607079|1.449805|1.417091|1.516004|1.697932|1.745601|2.166319|2.225832|4.807280|10.077683|8.814085|6.678936|17.559060|7.049350|0.047263|0.050477|0.047045|0.054817|0.059989|0.063777|0.057816|0.069101|0.081135|0.099676|0.075541|0.088671|0.074358|0.094740|0.076438|0.078735|0.104020|0.055812|0.059439|0.045047|0.037879|0.040681|0.050009|0.137430|0.106015|0.142638|0.206166|0.301416|0.500000| |1.637907|1.839621|2.042373|2.353335|3.574409|0.066286|2.861199|3.083607|5.021687|3.228419|2.968448|3.933501|4.906906|6.614298|6.678844|33.390468|4.311257|4.674749|3.121891|4.430039|17.560515|2.331887|1.983367|1.787060|1.593082|1.552760|1.671803|1.899428|1.893490|2.339909|2.406906|6.877085|12.057447|8.696031|6.894123|17.580068|5.497334|0.043681|0.045930|0.042754|0.049532|0.052873|0.057765|0.053618|0.062218|0.070072|0.088078|0.070112|0.088408|0.074590|0.096393|0.077351|0.073570|0.092055|0.064599|0.069725|0.050100|0.041349|0.044621|0.056295|0.216966|0.137939|0.139089|0.184110|0.301018|0.302380|0.500000| |1.835155|2.145469|2.310592|2.825091|4.068529|0.074258|2.845294|2.802512|4.626508|3.618955|3.736415|3.174218|3.583357|4.738689|4.330379|22.111449|3.000271|3.403229|2.390340|3.550299|13.960337|1.816431|1.591301|1.501242|1.355705|1.296881|1.350430|1.494143|1.607171|2.028818|2.023869|4.910892|13.382343|8.840099|6.879207|5.523343|17.574916|0.048648|0.049682|0.048519|0.060185|0.062164|0.061815|0.060094|0.080073|0.084963|0.086450|0.068563|0.072882|0.069606|0.116443|0.085209|0.100485|0.123383|0.051738|0.051455|0.043130|0.036047|0.035821|0.042744|0.116593|0.122508|0.220576|0.159069|0.141886|0.141974|0.122802|0.500000| |1.983325|2.332880|2.518305|3.090159|4.375099|0.077538|3.188500|3.037942|4.877930|3.583530|3.844573|3.238737|3.533395|4.514063|3.935719|20.667695|2.909046|3.343007|2.394830|3.617521|14.057954|1.804359|1.586600|1.481970|1.343303|1.297819|1.363227|1.508639|1.610051|2.021355|2.039939|4.216650|10.291988|8.803864|6.908213|6.828685|17.540213|0.051780|0.054378|0.052261|0.064029|0.069111|0.068681|0.063913|0.084494|0.097322|0.102094|0.076606|0.080567|0.073252|0.108037|0.082943|0.098374|0.133986|0.050506|0.051493|0.042121|0.035536|0.036388|0.043567|0.107816|0.100428|0.187759|0.193881|0.165590|0.207809|0.140650|0.299669|0.500000| 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