Version2.1 2021-01-20T13:18:52Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 12-Jan-2021 # opt=maxstep=1 freq hf/6-31g(d) iop(6/10=2,6/11=2,6/12=2) DUDE CC(=CC(=O)N1CCN(CC1)Cc2cc(=O)n3ccsc3[nH+]2)C45CC6CC(C4)CC(C6)C5 C60100733 RHF 6-31G(d) (6D,7F) CC(=CC(=O)N1CCN(CC1)Cc2cc(=O)n3ccsc3[nH+]2)C45CC6CC(C4)CC(C6)C5 C01[X(C25H37N4O2S1)] 201 C1 558 O=C(N1CCN(CC1)Cc1cc(=O)n2c([nH+]1)scc2)C=C(C12CC3CC(C2)CC(C1)C3)C O=C(N1CCN(CC1)Cc1cc(=O)n2c([nH+]1)scc2)C=C(C12CC3CC(C2)CC(C1)C3)C CC(=CC(=O)N1CCN(CC1)CC2CC(=O)N3C=CSC3[NH+]2)C45CC6CC(CC(C6)C4)C5 InChIKey=FUKYUJJPJTVHTM-UHFFFAOYSA-N InChI=1S/C25H36N4O2S/c1-17(25-13-18-9-19(14-25)11-20(10-18)15-25)8-22(30)28-4-2-27(3-5-28)16-21-12-23(31)29-6-7-32-24(29)26-21/h6-8,18-21,24,26H,2-5,9-16H2,1H3/q+1 InChI=1/C25H36N4O2S/c1-17(25-13-18-9-19(14-25)11-20(10-18)15-25)8-22(30)28-4-2-27(3-5-28)16-21-12-23(31)29-6-7-32-24(29)26-21/h6-8,18-21,24,26H,2-5,9-16H2,1H3/q+1 CC(=CC(=O)N1CCN(CC1)Cc2cc(=O)n3ccsc3[nH+]2)C45CC6CC(C4)CC(C6)C5 C01[X(C25H37N4O2S1)] 201 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-0.06861 0.99764 1 0.01604 0.00177 0.00176 0.33414 0.03689 0.03664 16.80 22.66 34.43 44.31 59.63 81.55 99.51 108.07 116.84 163.01 183.28 212.42 227.95 240.65 248.15 269.44 297.29 347.32 363.09 399.82 441.32 469.39 490.00 494.54 506.07 522.47 556.04 566.54 584.98 610.22 630.11 638.95 652.24 668.47 690.66 694.63 704.77 713.69 744.89 752.32 758.72 765.29 876.54 890.34 893.49 915.45 968.85 992.32 1013.13 1015.31 1025.42 1062.28 1098.34 1139.64 1145.35 1171.90 1189.77 1237.91 1257.24 1260.38 1273.22 1309.26 1327.92 1340.19 1350.98 1361.00 1400.13 1403.43 1409.96 1413.06 1436.07 1457.85 1472.28 1483.71 1499.22 1511.69 1518.40 1530.08 1530.59 1541.00 1558.52 1578.72 1593.35 1612.66 1639.59 1646.80 1649.94 1680.17 1686.74 1688.78 1698.79 1705.68 1718.95 1746.95 1758.06 1767.86 1768.79 1773.23 1776.20 1785.95 1800.21 1823.67 1827.60 1871.92 1882.88 1901.16 1907.75 1925.92 1935.69 1956.71 1984.81 2014.51 2017.90 2031.43 2036.67 2049.62 2056.98 2067.37 2085.63 2091.78 2093.33 2097.53 2107.44 2130.37 2133.75 2138.51 2139.26 2147.61 2159.68 2167.38 2175.44 2190.18 2191.07 2198.96 2209.35 2213.87 2218.35 2222.93 2227.05 2243.23 2258.42 2268.12 2272.41 2279.69 2286.10 2314.60 2344.90 2350.60 2352.41 2358.05 2365.43 2367.88 2371.02 2371.90 2374.59 2382.40 2387.35 2395.65 2408.27 2632.17 2644.54 2659.63 2793.02 2899.84 4547.08 4559.18 4578.45 4580.57 4584.41 4587.55 4591.88 4594.74 4596.53 4608.02 4613.85 4625.57 4630.77 4633.27 4640.72 4644.49 4645.17 4646.65 4653.71 4658.39 4670.50 4674.58 4679.00 4687.30 4691.34 4707.20 4735.70 4740.10 4761.50 4807.91 4824.49 4862.85 4907.36 4979.26 5013.98 5146.49 5297.34 0.655489 0.682002 0.682946 0.595215 -1732.410372 -1732.383859 -1732.382915 -1732.470646 2.942512D-04 MUNgauss RevisionA2.0 retrievium 20-Jan-2021 DUDE CC(=CC(=O)N1CCN(CC1)Cc2cc(=O)n3ccsc3[nH+]2)C45CC6CC(C4)CC(C6)C5 C60100733 RHF 6-31G(d) (6D,10F) C1 457.263723 |X|Y|Z| 41.911104 39.905008 158.545927 64.244684 29 6 7 16 24 4 1 |36.858105| |12.578146|36.858105| |7.638579|14.284355|36.858105| |6.290516|7.554904|12.796777|36.858105| |6.289070|6.278934|7.989433|15.885511|73.516695| |4.449161|5.218620|7.818620|13.699253|15.117171|53.358707| |3.628460|3.891162|5.062749|7.876785|12.785687|17.907215|36.858105| |2.875910|3.142494|3.961973|5.194421|8.351715|10.685873|12.531313|36.858105| |2.716300|3.009926|3.738043|4.503000|6.910673|9.125398|7.743213|12.980760|53.358707| |3.021796|3.526242|4.546112|5.119550|7.244682|10.650409|6.672808|7.929332|17.685007|36.858105| |3.941559|4.715530|6.523014|7.646199|9.612803|17.898394|7.887387|6.701226|10.570755|12.519164|36.858105| |2.259799|2.484837|2.974628|3.397975|5.405130|6.140659|5.054918|7.835882|17.870206|7.835572|5.059745|36.858105| |2.045978|2.181450|2.533598|2.906185|4.803406|4.994094|4.312517|6.016984|10.639762|5.152398|3.959273|12.452766|36.858105| |1.765267|1.876977|2.136312|2.376574|3.966962|3.904996|3.225986|4.168413|6.775492|3.870628|3.082153|7.371707|12.498116|36.858105| |1.624072|1.699121|1.897988|2.097794|3.551361|3.354873|2.759163|3.334057|5.208346|3.117504|2.632634|4.848088|7.364803|12.503728|36.858105| |1.476822|1.542265|1.706764|1.863860|3.171871|2.926270|2.370685|2.804590|4.264688|2.655657|2.278587|3.866010|5.177744|8.048104|16.072317|73.516695| |1.689221|1.747255|1.940694|2.158398|3.668449|3.443196|2.850923|3.325546|5.213865|3.117840|2.716971|4.467777|6.715333|7.704286|13.781880|15.078761|53.358707| |1.556284|1.594201|1.742777|1.913091|3.274807|2.978892|2.419762|2.707175|4.144851|2.602322|2.344199|3.387623|4.498723|5.027510|7.778309|12.198548|18.340933|36.858105| |1.607006|1.630649|1.769063|1.940214|3.328186|2.997208|2.419842|2.622098|4.006902|2.558374|2.369900|3.119245|3.957556|4.039315|5.328789|8.337033|11.307953|14.511820|36.858105| |1.885474|1.907110|2.086940|2.328534|3.971741|3.659770|2.994378|3.188648|4.971953|3.110914|2.930764|3.660437|4.626064|4.152908|4.818352|7.004063|9.889502|7.342958|10.703479|388.023441| |1.911951|1.967007|2.202302|2.501992|4.249449|4.064068|3.459433|3.996547|6.346480|3.629617|3.213573|5.045398|7.748682|6.536392|7.620223|9.485937|18.032424|8.018413|7.511319|74.493974|36.858105| |2.115264|2.225446|2.550613|2.911802|4.800068|4.955161|4.188374|5.155024|9.450166|4.986478|4.099095|7.788050|12.639232|7.715344|6.723257|8.454459|10.965320|5.381283|5.069766|48.994826|12.825639|53.358707| |2.057379|2.182209|2.483623|2.757125|4.484833|4.633598|3.704269|4.414339|8.338106|4.927730|3.996846|7.027657|9.076075|7.089310|6.363721|8.330516|10.065128|5.333444|5.080434|46.838241|9.281158|25.625029|0.500000| |7.344286|12.397804|7.604041|4.853622|7.490074|5.288713|3.047389|2.619475|3.508433|3.039273|3.782821|2.206087|1.941291|1.707217|1.552727|2.530743|2.158318|1.459252|1.488743|12.168860|1.754756|2.686278|0.054528|36.858105| |5.987575|7.564746|5.473104|4.001823|6.652466|4.396796|2.663134|2.322842|3.045299|2.553028|3.031790|1.955108|1.739669|1.548552|1.414434|2.323579|1.954500|1.326974|1.347604|10.867682|1.574036|2.377044|0.047972|12.268339|36.858105| |4.176676|4.900210|3.958330|3.079480|5.128791|3.588483|2.229375|2.004452|2.672985|2.232710|2.560436|1.754082|1.570199|1.418843|1.303185|2.156836|1.794396|1.226821|1.244361|9.916233|1.429006|2.145478|0.043661|7.493950|12.390231|36.858105| |3.998663|4.370152|3.483625|2.781537|4.650942|3.292717|2.068360|1.859857|2.514189|2.089607|2.402716|1.653993|1.497419|1.357537|1.258838|2.086003|1.745747|1.202978|1.228794|9.793877|1.390608|2.074082|0.042429|6.407324|7.587198|12.404051|36.858105| |4.305066|4.885253|3.865114|3.011542|4.888690|3.607165|2.225524|1.996127|2.748884|2.325986|2.718836|1.793791|1.616534|1.457813|1.350706|2.228066|1.882253|1.296141|1.329904|10.685520|1.506700|2.264223|0.046652|7.491485|6.459046|7.593187|12.402479|36.858105| |6.392558|7.515038|5.233583|3.855226|6.150356|4.430614|2.656117|2.309415|3.158722|2.695134|3.305557|2.010320|1.803220|1.599513|1.475779|2.413304|2.069748|1.416143|1.458518|11.907856|1.679885|2.541883|0.052034|12.289412|7.566330|6.474152|7.603748|12.401053|36.858105| |3.578068|4.323338|3.728032|2.898448|4.595922|3.592877|2.201926|2.021197|2.827802|2.438649|2.783252|1.864609|1.660106|1.505760|1.385818|2.289714|1.916230|1.315208|1.341184|10.715384|1.522847|2.310001|0.048004|6.381166|5.357248|6.474289|7.594279|12.423503|7.589291|36.858105| |3.711659|4.846746|4.336172|3.244467|5.061423|3.990999|2.401023|2.211892|3.060718|2.675980|3.039211|2.012032|1.761328|1.590913|1.445819|2.384550|1.981471|1.346771|1.361785|10.879434|1.574106|2.410485|0.049820|7.485723|6.480873|7.617640|6.496345|7.625580|6.489330|12.421484|36.858105| |3.502605|4.332594|3.810327|2.958023|4.792383|3.573486|2.205127|2.029391|2.744822|2.331306|2.613432|1.819800|1.609770|1.462713|1.334451|2.212329|1.823511|1.242798|1.253434|9.938753|1.442545|2.183958|0.044757|6.382319|7.584618|12.418146|7.603592|6.483613|5.367746|7.594601|12.413625|36.858105| |4.821141|7.391963|6.639823|4.388024|6.510837|5.209755|2.971550|2.664295|3.660131|3.287698|3.936782|2.333056|2.010977|1.780271|1.602191|2.615470|2.203415|1.482556|1.500431|12.174035|1.774462|2.753592|0.056526|12.326356|7.632192|6.507597|5.390573|6.496404|7.617377|7.585466|12.395917|7.604043|36.858105| |17.539009|8.902778|6.183548|5.313326|9.162531|5.576609|3.401998|2.733585|3.607006|2.946384|3.848129|2.211719|2.023452|1.749520|1.623904|2.623761|2.319744|1.581292|1.647941|13.831508|1.935198|2.900372|0.057976|6.395439|4.988480|3.801240|3.890339|4.421601|6.739345|3.605321|3.541001|3.244081|4.445845|0.500000| |17.604454|8.826083|5.772541|4.852726|8.960760|4.942342|3.077481|2.517464|3.230263|2.608176|3.251188|2.019509|1.842687|1.611864|1.490885|2.428583|2.101630|1.431697|1.475045|12.138886|1.728702|2.574831|0.051202|6.933485|6.763239|4.625984|4.436873|4.454644|6.264711|3.551477|3.654141|3.635892|4.478257|0.303696|0.500000| |17.707539|8.821863|7.189053|7.276052|15.029886|6.656882|4.121586|3.135568|3.909561|3.106619|4.060625|2.362226|2.154067|1.840552|1.692540|2.725193|2.403512|1.619747|1.672252|14.045609|2.016171|3.023707|0.059217|5.439400|4.771272|3.490625|3.292994|3.468617|4.717176|3.008501|3.162330|3.022127|4.025183|0.301212|0.302697|0.500000| |5.494329|9.141890|17.785093|8.838271|10.595258|9.916894|4.734696|3.996421|5.291119|5.009316|6.800408|3.136710|2.598093|2.204742|1.934585|3.098234|2.660110|1.746561|1.757853|14.607835|2.193309|3.506140|0.070440|7.073864|5.169286|3.958840|3.414801|3.813770|4.856534|3.926660|4.834758|4.084336|7.818254|0.132481|0.126379|0.142475|0.500000| |3.567904|3.648435|4.483915|6.551098|11.277180|12.341493|17.470074|8.859010|9.410996|5.771559|6.977964|4.684476|4.323003|3.214063|2.835033|4.296334|4.124297|2.588319|2.641415|24.119619|3.818400|6.151066|0.109170|2.871887|2.498952|2.109551|1.995792|2.162533|2.588362|2.115895|2.254552|2.065732|2.750953|0.096040|0.083730|0.113497|0.113633|0.500000| |3.636114|3.798030|4.811031|7.567016|14.723541|12.547876|17.688458|8.898243|7.652891|4.998927|5.714099|4.176228|3.700152|2.890481|2.509961|3.898154|3.499830|2.213592|2.206398|18.933496|3.047955|4.789250|0.086872|2.965478|2.675991|2.222894|2.041849|2.154322|2.558041|2.109114|2.312208|2.172794|2.836517|0.092202|0.087243|0.118227|0.122239|0.302587|0.500000| |2.579705|2.734674|3.310064|4.236040|7.251988|7.722832|8.923684|17.556191|12.365586|5.693352|4.986148|7.212498|6.672344|4.529913|3.653019|5.403620|4.967046|2.921159|2.797375|24.063419|4.439451|7.426310|0.123107|2.310516|2.084972|1.817420|1.698295|1.808500|2.071122|1.819454|1.969135|1.828155|2.323554|0.068611|0.063645|0.078614|0.091272|0.217472|0.213406|0.500000| |2.780596|3.104418|3.944258|4.983327|7.999693|9.547858|8.876150|17.484054|12.289781|7.108413|5.850201|6.991809|5.133350|3.863562|3.058876|4.688855|4.021733|2.439265|2.336325|19.473383|3.380740|5.743395|0.104486|2.629089|2.367941|2.047945|1.871536|1.987590|2.275234|2.031197|2.263600|2.095264|2.720451|0.072199|0.068534|0.083387|0.114175|0.173737|0.217298|0.301528|0.500000| |2.768711|3.200639|3.929806|4.166851|6.066429|7.705558|4.978705|5.703352|12.427244|17.562291|8.905870|7.226866|5.019444|3.937826|3.209988|4.868522|4.386893|2.710473|2.673477|23.021329|3.691477|7.002560|0.152796|2.857663|2.391078|2.135321|2.029584|2.286887|2.610176|2.429520|2.617838|2.249640|3.137665|0.076610|0.067025|0.077625|0.120351|0.129427|0.109513|0.127141|0.144128|0.500000| |2.917604|3.491039|4.548264|4.911433|6.974004|9.507887|5.818005|7.081649|12.256407|17.485056|8.872270|6.976154|4.539590|3.610974|2.881054|4.456074|3.809969|2.357880|2.288463|19.099605|3.139518|5.606093|0.113224|3.077268|2.625469|2.305881|2.118414|2.330314|2.661142|2.481027|2.798925|2.451085|3.435922|0.077458|0.071005|0.082641|0.147439|0.132957|0.130981|0.143699|0.211107|0.300766|0.500000| |4.217323|5.445843|7.651299|7.157873|8.839135|12.416872|5.689652|5.000835|7.675746|8.928572|17.678202|4.183666|3.334257|2.721064|2.355007|3.687158|3.283238|2.120703|2.147195|18.443647|2.775721|4.678167|0.095750|4.491981|3.423989|2.887526|2.701970|3.132146|3.855723|3.275192|3.625636|2.997794|4.912812|0.114614|0.096347|0.114686|0.245993|0.142471|0.127779|0.109473|0.131071|0.214378|0.217301|0.500000| |3.877916|4.348328|5.477901|6.399414|8.799371|12.366927|7.019218|5.826516|9.504654|8.895330|17.463438|4.710562|3.962384|3.072129|2.696920|4.121578|3.904845|2.496425|2.578527|23.493786|3.488000|6.017738|0.120350|3.508618|2.815011|2.402289|2.312368|2.642619|3.226780|2.659306|2.800708|2.414319|3.526821|0.109957|0.088399|0.111500|0.147779|0.205479|0.143242|0.130188|0.134027|0.218223|0.174068|0.302770|0.500000| |2.162264|2.387895|2.857777|3.245976|5.230168|5.706266|4.690072|7.380149|12.162000|6.419082|4.413637|17.503301|8.889812|6.694594|4.401153|6.528358|5.280421|3.019546|2.749192|22.056091|4.162202|7.644630|0.142467|2.136079|1.923435|1.730123|1.615096|1.731497|1.924917|1.804976|1.970261|1.803091|2.270759|0.058066|0.054212|0.062840|0.084485|0.115834|0.113412|0.193860|0.215738|0.158345|0.183805|0.104917|0.110374|0.500000| |2.176868|2.416981|2.862237|3.139741|4.929712|5.518714|4.211392|5.727732|12.463542|7.681909|4.839215|17.553646|8.900553|6.874496|4.684199|6.801642|5.826489|3.332069|3.073518|25.141389|4.612661|9.489335|0.205104|2.189178|1.927352|1.749279|1.658081|1.812540|2.012837|1.908692|2.051841|1.834933|2.356742|0.059666|0.054203|0.062201|0.085251|0.110154|0.098003|0.143511|0.149218|0.235280|0.193419|0.116571|0.126069|0.303073|0.500000| |1.694635|1.801856|2.048939|2.280300|3.843529|3.702062|3.075047|3.998586|6.051452|3.516422|2.838445|6.377501|8.859641|17.608096|8.976671|13.014305|7.951247|4.208681|3.430411|24.618369|5.080821|7.650410|0.141992|1.643143|1.506475|1.381997|1.314682|1.400022|1.529714|1.445671|1.536785|1.425635|1.713390|0.046294|0.043249|0.049194|0.058828|0.083476|0.078454|0.123008|0.107151|0.096630|0.094481|0.070203|0.077143|0.185874|0.159316|0.500000| |1.436595|1.473234|1.603305|1.745795|2.996502|2.692004|2.168343|2.425088|3.660593|2.336312|2.104241|3.023660|3.884016|4.580520|7.146486|13.508612|12.166478|17.822424|8.891407|37.177638|5.693651|5.855471|0.119905|1.358998|1.244084|1.156623|1.133603|1.216117|1.319146|1.236903|1.267144|1.174322|1.384674|0.040437|0.036938|0.041408|0.044791|0.063550|0.055738|0.072438|0.061853|0.067500|0.059833|0.053466|0.061463|0.076903|0.083363|0.111430|0.500000| |1.518042|1.530967|1.643570|1.786220|3.077528|2.716970|2.166907|2.304775|3.472867|2.271604|2.139649|2.664824|3.240417|3.313153|4.192959|6.939504|7.800610|8.915446|17.812142|54.442411|5.327073|5.426657|0.112460|1.406625|1.277825|1.185731|1.177083|1.272599|1.388833|1.280113|1.291527|1.191667|1.413096|0.043423|0.038905|0.043729|0.045252|0.065568|0.055410|0.067692|0.057649|0.065968|0.056934|0.054525|0.064655|0.066240|0.073505|0.080485|0.202233|0.500000| |5.348932|6.939951|5.667841|4.210512|7.040967|4.599507|2.787079|2.441769|3.149357|2.632286|3.084617|2.024764|1.788114|1.590063|1.442024|2.369021|1.979442|1.336395|1.348651|10.847133|1.591065|2.410564|0.048401|8.779097|17.525867|8.788799|5.504591|4.838977|5.497980|4.443711|5.733470|6.919364|6.964514|0.120483|0.161157|0.127549|0.153214|0.071200|0.078937|0.060659|0.070348|0.067492|0.076592|0.095704|0.077831|0.055957|0.055102|0.043240|0.034851|0.035398|0.500000| |6.705385|6.963626|4.927553|3.845436|6.700470|4.169360|2.586361|2.228863|2.894173|2.376602|2.828592|1.857288|1.674665|1.490549|1.371297|2.254280|1.904581|1.298463|1.323803|10.684660|1.537830|2.299532|0.046181|8.716727|17.562034|8.849268|6.925249|5.690638|6.843506|4.431914|4.845518|5.521457|5.512531|0.151446|0.246516|0.146465|0.122426|0.068344|0.073100|0.056205|0.062539|0.061750|0.066977|0.086454|0.074366|0.050649|0.050516|0.040301|0.033805|0.034967|0.303521|0.500000| |3.671130|4.086965|3.418638|2.777365|4.739701|3.255818|2.065338|1.868091|2.469017|2.030181|2.293269|1.634176|1.472745|1.338225|1.232667|2.048097|1.693309|1.160298|1.174460|9.300891|1.342859|2.002118|0.040609|5.479611|8.865988|17.537154|8.822580|5.514267|4.857012|4.850451|5.524010|8.826223|4.874306|0.092298|0.115513|0.088160|0.094363|0.054296|0.057881|0.047472|0.053259|0.053801|0.058404|0.070435|0.059900|0.045061|0.045090|0.036392|0.030485|0.031141|0.213422|0.216016|0.500000| |3.256555|3.522188|2.945647|2.418364|4.059987|2.926144|1.863859|1.700530|2.310266|1.909355|2.152469|1.538418|1.398476|1.278883|1.189771|1.980905|1.645591|1.138403|1.161057|9.179736|1.301789|1.933591|0.039684|4.798941|5.505492|8.800194|17.524953|8.798483|5.512226|6.915622|5.729920|6.926071|4.455306|0.088944|0.098717|0.077008|0.081598|0.050036|0.051088|0.043386|0.047653|0.051923|0.053939|0.066756|0.057675|0.041846|0.043029|0.034462|0.029912|0.030981|0.123098|0.141692|0.212682|0.500000| |4.190214|4.238620|3.323803|2.722769|4.657529|3.190044|2.029308|1.808442|2.425555|1.988492|2.296921|1.592483|1.454684|1.317399|1.227869|2.034968|1.709863|1.181808|1.211122|9.663525|1.365466|2.021874|0.041181|5.687498|6.915104|8.791227|17.516328|8.794258|6.931799|5.508455|4.854669|5.510823|4.462259|0.114070|0.135937|0.095568|0.087765|0.054847|0.056070|0.046185|0.050266|0.053435|0.055529|0.070568|0.062075|0.043139|0.044073|0.035456|0.030920|0.032298|0.141188|0.207635|0.212857|0.303154|0.500000| |3.824052|4.073367|3.317576|2.693752|4.426777|3.280114|2.060356|1.856744|2.573395|2.153282|2.495014|1.689995|1.539628|1.395352|1.303492|2.155252|1.824661|1.265366|1.304626|10.456064|1.457988|2.174225|0.044941|5.479342|4.849177|5.514499|8.823030|17.534282|8.867470|8.826044|5.526897|4.854979|4.865777|0.113726|0.109782|0.087410|0.090079|0.056341|0.055268|0.047125|0.050961|0.059419|0.059288|0.078643|0.068674|0.045115|0.047553|0.037130|0.033005|0.034849|0.106703|0.127532|0.123449|0.212576|0.213087|0.500000| |7.306490|6.920648|4.741869|3.707684|6.168302|4.195932|2.577850|2.215232|2.992576|2.492516|3.052884|1.905061|1.732196|1.536699|1.428302|2.337831|2.013606|1.384050|1.431711|11.699414|1.638791|2.451808|0.049877|8.738932|6.866982|5.721759|6.966071|8.871667|17.571426|5.528301|4.855383|4.447609|5.510717|0.227558|0.216731|0.144251|0.116684|0.070738|0.069832|0.055809|0.060210|0.066690|0.067733|0.095436|0.084313|0.050662|0.052540|0.040878|0.035804|0.037996|0.140435|0.203518|0.128106|0.142234|0.209213|0.216247|0.500000| |5.867944|6.870903|5.232151|3.931383|6.117098|4.664641|2.773044|2.414661|3.372969|2.916490|3.635058|2.132545|1.911069|1.687807|1.558826|2.538801|2.198758|1.504758|1.557667|12.822996|1.793455|2.729814|0.056287|8.770111|5.491350|4.840399|5.510153|8.794202|17.498478|6.912999|5.725602|4.442465|6.920330|0.187158|0.146787|0.125393|0.136371|0.075992|0.072610|0.059900|0.065222|0.079690|0.078525|0.120036|0.100820|0.056013|0.059752|0.044469|0.038772|0.041173|0.122942|0.140082|0.106737|0.123156|0.141496|0.213811|0.303187|0.500000| |3.012802|3.497082|3.092101|2.495625|4.022705|3.135179|1.961844|1.823841|2.551723|2.170493|2.419165|1.707200|1.531052|1.403170|1.297505|2.156524|1.789019|1.234079|1.256399|9.940849|1.410592|2.124483|0.044230|4.787717|4.437638|5.717990|6.911616|8.798042|5.504645|17.525325|8.801573|6.922986|5.503819|0.084280|0.084441|0.072027|0.090326|0.052497|0.052470|0.046016|0.051072|0.060406|0.061553|0.077469|0.064495|0.046121|0.048667|0.037536|0.032389|0.033433|0.105853|0.105706|0.127785|0.207056|0.141253|0.212380|0.123593|0.141262|0.500000| |3.458229|4.166894|3.711981|2.919321|4.564819|3.702810|2.260786|2.086219|2.972899|2.594515|2.963160|1.958376|1.740637|1.577074|1.452294|2.393855|2.014500|1.383451|1.414935|11.346397|1.603182|2.444224|0.051208|5.657248|4.435465|4.840966|5.506166|8.799415|6.910925|17.507448|8.795306|5.506275|6.897952|0.099517|0.092309|0.081643|0.109527|0.060762|0.059282|0.052017|0.057743|0.073069|0.072519|0.098240|0.079509|0.052161|0.056207|0.041773|0.036053|0.037504|0.105828|0.105450|0.106655|0.141265|0.123117|0.212934|0.141750|0.207171|0.302981|0.500000| |3.159177|4.039135|3.860035|2.995795|4.655029|3.816104|2.315694|2.182989|3.058348|2.693263|2.961522|2.039665|1.773574|1.614368|1.461248|2.416692|1.989088|1.350199|1.358387|10.781117|1.568406|2.411945|0.050163|5.480352|4.864292|5.524241|4.856717|5.526918|4.866794|8.825726|17.527962|8.825565|8.869891|0.084314|0.085342|0.077111|0.123718|0.060132|0.061565|0.053960|0.062521|0.074097|0.079417|0.098108|0.075229|0.055725|0.058410|0.043361|0.035390|0.035749|0.128510|0.106888|0.123541|0.127773|0.106802|0.123552|0.107011|0.128271|0.212238|0.213127|0.500000| |3.341600|4.178396|3.852556|3.024791|4.908065|3.665556|2.266109|2.101324|2.813425|2.385366|2.638545|1.871972|1.644825|1.495258|1.355541|2.248506|1.840727|1.248631|1.252272|9.904486|1.452863|2.205555|0.045026|5.654377|6.907489|8.796790|5.510052|4.844955|4.440647|5.507863|8.795340|17.514932|6.919828|0.084129|0.095597|0.082205|0.117436|0.058182|0.062516|0.052461|0.061131|0.063256|0.070878|0.083401|0.066629|0.052056|0.052230|0.040716|0.032821|0.032973|0.207325|0.141702|0.212953|0.141448|0.123116|0.106720|0.105721|0.105748|0.141473|0.123101|0.213359|0.500000| |2.967329|3.502618|3.139389|2.533965|4.154711|3.121956|1.964073|1.829811|2.489144|2.092452|2.303410|1.671925|1.490598|1.367505|1.254353|2.090401|1.711691|1.172770|1.182354|9.302579|1.345087|2.023683|0.041613|4.789651|5.502847|8.798880|6.927463|5.731201|4.447103|6.927933|8.799445|17.524978|5.511125|0.077967|0.085946|0.072285|0.092800|0.051481|0.053748|0.046198|0.052396|0.056687|0.060940|0.072471|0.059752|0.046074|0.047039|0.037070|0.030898|0.031337|0.141315|0.123462|0.212431|0.207736|0.141434|0.128016|0.106092|0.105885|0.207888|0.141460|0.212138|0.303013|0.500000| |4.558887|6.763729|6.673301|4.512973|6.475185|5.626378|3.146329|2.840593|4.023089|3.741148|4.557438|2.541666|2.170412|1.910116|1.713785|2.783296|2.364691|1.586844|1.609906|13.161349|1.912340|3.003471|0.062243|8.770765|5.514124|4.854392|4.452085|5.723567|6.911632|6.912807|8.820580|5.518441|17.504655|0.122572|0.112610|0.107836|0.227524|0.081474|0.081106|0.068141|0.079494|0.101210|0.107003|0.168464|0.113402|0.067705|0.072233|0.050579|0.040994|0.042006|0.141879|0.122769|0.106978|0.105960|0.106020|0.128014|0.140981|0.206698|0.141312|0.206791|0.215109|0.141631|0.123323|0.500000| |4.439983|6.751202|6.945771|4.641461|6.834453|5.537873|3.137210|2.843078|3.841613|3.461974|4.048525|2.453608|2.085716|1.843827|1.642139|2.680343|2.238177|1.495003|1.500961|12.134592|1.797455|2.804201|0.057216|8.763496|6.966826|5.774135|4.472832|4.862682|5.509784|5.526972|8.877703|6.993920|17.539130|0.109631|0.114931|0.108092|0.254718|0.078582|0.084042|0.068281|0.082617|0.089692|0.104197|0.138190|0.097093|0.067348|0.068417|0.049665|0.038855|0.039099|0.209679|0.141688|0.129076|0.106454|0.106391|0.107047|0.122823|0.141005|0.123627|0.141423|0.216079|0.209841|0.142459|0.302196|0.500000| |2.063322|2.171967|2.519434|2.959125|5.012143|5.039175|4.626347|6.544342|9.604897|4.611112|3.767556|8.848039|17.619227|8.855528|6.407073|8.416677|8.314881|4.246066|3.781737|31.536556|7.391020|12.595691|0.181078|1.912552|1.729693|1.551575|1.475192|1.579906|1.769033|1.606724|1.707325|1.576678|1.953645|0.056332|0.051719|0.061144|0.070710|0.129945|0.113119|0.234661|0.151401|0.118595|0.114885|0.087523|0.104603|0.212903|0.174255|0.220033|0.102522|0.086823|0.049584|0.046580|0.040618|0.038193|0.040030|0.041762|0.047582|0.051686|0.041161|0.046438|0.047415|0.044859|0.040491|0.057907|0.056457|0.500000| |1.731527|1.859226|2.111982|2.302460|3.795372|3.766908|2.996982|3.796924|6.401062|3.908808|3.052287|7.032393|8.815411|17.531452|9.116223|12.667709|8.508707|4.523131|3.723080|26.885708|5.331644|8.929030|0.192854|1.711038|1.546724|1.427128|1.367200|1.474189|1.607076|1.537318|1.624075|1.483961|1.806856|0.047780|0.043977|0.049648|0.061278|0.082099|0.074298|0.108835|0.100023|0.115130|0.102705|0.076290|0.083923|0.177461|0.214922|0.304490|0.117394|0.086746|0.044034|0.041115|0.037299|0.035887|0.036670|0.039209|0.042609|0.047254|0.039881|0.044939|0.046139|0.042107|0.038644|0.054176|0.051930|0.174052|0.500000| |1.942650|1.980648|2.220942|2.571424|4.448658|4.158653|3.685681|4.247679|6.258994|3.492588|3.158874|4.805230|7.257251|5.850325|6.436519|8.494394|12.305072|6.332695|5.998193|55.915301|17.607176|12.589812|0.182226|1.750387|1.581578|1.427392|1.383157|1.487891|1.665170|1.493311|1.549906|1.431951|1.753231|0.054249|0.048849|0.057578|0.060864|0.114419|0.091790|0.138817|0.098673|0.094905|0.084903|0.075150|0.094288|0.114370|0.115936|0.137398|0.136052|0.127560|0.044598|0.043141|0.037399|0.035889|0.037881|0.039896|0.045387|0.049021|0.038396|0.043361|0.042688|0.040186|0.037011|0.052021|0.049555|0.232387|0.128294|0.500000| |2.375742|2.496584|2.896461|3.385947|5.528627|5.942813|5.136363|6.131873|11.708289|5.877824|4.989508|7.633028|9.353297|5.728719|4.982417|6.768236|7.907382|4.370220|4.375611|45.127936|9.025149|25.482071|0.325900|2.172852|1.901099|1.696370|1.639045|1.798562|2.048623|1.823338|1.903902|1.716819|2.207988|0.066616|0.058256|0.069815|0.080346|0.161004|0.114498|0.173987|0.130637|0.162358|0.127130|0.111208|0.155804|0.151545|0.182455|0.127755|0.099582|0.099626|0.053454|0.051147|0.043766|0.042152|0.044450|0.047833|0.054946|0.061430|0.046201|0.053651|0.052523|0.048057|0.043888|0.067236|0.062289|0.225940|0.141430|0.220827|0.500000| 1731.638070 -10831.141874 4180.868273 -211.327863 -5129.963394 3396.897460 -1733.065933 2.000825 40D2000000000039 447E8B397FC91508 43FFA822B843741D 42F57AC97334DFFF B8C1B578BFFFFFFF 44AEE3E1289B24E7