Version2.4 2021-06-08T04:32:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 05-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCOc1ccc(cc1OCC)[C@H]2C(=C(C(=O)N2C[C@H]3CCCO3)[O-])C(=O)c4c(nc(s4)C)C C35568485 RHF 6-31G(d) (6D,7F) CCCCOc1ccc(cc1OCC)[C@H]2C(=C(C(=O)N2C[C@H]3CCCO3)[O-])C(=O)c4c(nc(s4)C)C C01[X(C27H33N2O6S1)] 201 C1 610 CCCCOc1ccc(cc1OCC)[C@@H]1N(C[C@H]2CCCO2)C(=O)C(=C1C(=O)c1sc(nc1C)C)[O-] CCCCOc1ccc(cc1OCC)[C@@H]1N(C[C@H]2CCCO2)C(=O)C(=C1C(=O)c1sc(nc1C)C)[O-] CCCCOc1ccc(cc1OCC)[C@@H]2N(C[C@H]3CCCO3)C(=O)C(=C2C(=O)c4sc(C)nc4C)[O-] InChIKey=UMNXWOIDZHYTSQ-XXBNENTESA-M InChI=1S/C27H34N2O6S/c1-5-7-12-35-20-11-10-18(14-21(20)33-6-2)23-22(24(30)26-16(3)28-17(4)36-26)25(31)27(32)29(23)15-19-9-8-13-34-19/h10-11,14,19,23,31H,5-9,12-13,15H2,1-4H3/p-1/t19-,23+/m1/s1 InChI=1/C27H34N2O6S/c1-5-7-12-35-20-11-10-18(14-21(20)33-6-2)23-22(24(30)26-16(3)28-17(4)36-26)25(31)27(32)29(23)15-19-9-8-13-34-19/h10-11,14,19,23,31H,5-9,12-13,15H2,1-4H3/p-1/t19-,23+/m1/s1/fC27H33N2O6S/h31h/q-1 CCCCOc1ccc(cc1OCC)[C@H]2C(=C(C(=O)N2C[C@H]3CCCO3)[O-])C(=O)c4c(nc(s4)C)C C01[X(C27H33N2O6S1)] 201 C01 610 CCCCOc1ccc(cc1OCC)[C@@H]1N(C[C@H]2CCCO2)C(=O)C(=C1C(=O)c1sc(nc1C)C)[O-] CCCCO[C]1[CH][CH][C]([CH][C]1OCC)[C@@H]1N(C[C@H]2CCCO2)C(=O)[C]([C]1[C](=O)c1sc(nc1C)C)=O CCCCO[C]1[CH][CH][C]([CH][C]1OCC)[C@H]2[C](C(=O)C(=O)N2C[C@H]3CCCO3)C(=O)c4sc(C)nc4C InChIKey=YBAGMUVDNFYXMZ-XXBNENTESA-N InChI=1S/C27H33N2O6S/c1-5-7-12-35-20-11-10-18(14-21(20)33-6-2)23-22(24(30)26-16(3)28-17(4)36-26)25(31)27(32)29(23)15-19-9-8-13-34-19/h10-11,14,19,23H,5-9,12-13,15H2,1-4H3/t19-,23+/m1/s1 InChI=1/C27H33N2O6S/c1-5-7-12-35-20-11-10-18(14-21(20)33-6-2)23-22(24(30)26-16(3)28-17(4)36-26)25(31)27(32)29(23)15-19-9-8-13-34-19/h10-11,14,19,23H,5-9,12-13,15H2,1-4H3/t19-,23+/m1/s1 4282.3129347360 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2066.25 2082.59 2083.11 2101.07 2111.85 2125.22 2138.28 2159.25 2203.82 2208.57 2216.39 2239.62 2244.11 2252.63 2253.32 2265.17 2273.71 2291.59 2304.85 2308.18 2337.74 2338.61 2339.16 2340.98 2343.93 2351.24 2354.83 2356.69 2364.59 2365.77 2369.23 2382.27 2385.78 2414.92 2422.05 2434.60 2441.08 2476.59 2571.42 2577.73 2590.89 2614.29 2803.38 2815.82 4558.14 4581.36 4592.48 4599.81 4602.47 4607.74 4610.43 4616.09 4617.26 4619.28 4625.32 4634.29 4635.87 4637.48 4652.37 4674.48 4675.84 4676.73 4686.15 4687.37 4691.46 4696.00 4699.58 4702.59 4712.79 4728.05 4751.12 4756.61 4759.91 4796.12 4847.03 4873.99 4898.83 0.608752 0.643902 0.644847 0.535790 -1996.645560 -1996.610410 -1996.609466 -1996.718523 3.657790D-04 MUNgauss RevisionA2.1 retrievium 08-Jun-2021 DUDE CCCCOc1ccc(cc1OCC)[C@H]2C(=C(C(=O)N2C[C@H]3CCCO3)[O-])C(=O)c4c(nc(s4)C)C C35568485 RHF 6-31G(d) (6D,10F) C1 513.205934 |X|Y|Z| 101.221728 87.966938 49.086717 75.890207 23 6 7 8 16 19 2 1 1 |36.858105| |12.464440|36.858105| |7.483167|12.455993|36.858105| |4.882959|7.509657|12.539676|36.858105| |3.885667|5.101265|8.082274|13.617888|73.516695| |3.081682|3.883421|5.220974|7.992383|24.946964|36.858105| |2.831889|3.598844|4.396985|6.706023|13.926782|13.718292|36.858105| |2.348623|2.856061|3.336917|4.509279|9.204390|7.908512|13.755572|36.858105| |2.131354|2.512816|2.961610|3.770120|8.130586|6.779703|7.889497|13.742125|36.858105| |2.237324|2.611973|3.191377|3.982414|9.373788|7.932085|6.929978|8.026105|13.728297|36.858105| |2.639703|3.138012|4.071494|5.244318|14.478162|13.692654|7.963595|6.896692|7.865647|13.772876|36.858105| |2.658490|3.048124|4.015750|4.656972|12.575337|7.961010|5.223477|4.616450|5.209135|8.023380|13.960051|73.516695| |2.652120|2.975582|3.882384|4.262328|10.694807|6.077503|4.354835|3.880339|4.256469|5.859629|8.120494|23.996752|36.858105| |2.515902|2.698988|3.421973|3.479756|7.994578|4.281194|3.302849|3.009187|3.278269|4.243424|5.242822|14.321290|12.568439|36.858105| |1.822719|2.099539|2.394437|2.905375|5.947306|4.390035|4.983660|7.491354|12.454755|7.500188|4.981844|6.893812|3.357732|2.751100|36.858105| |1.740629|1.977085|2.265105|2.683365|5.572972|3.999031|4.204375|5.611257|9.000806|7.439382|4.831281|7.066026|3.455072|2.879840|17.501467|0.500000| |1.717252|1.969726|2.199039|2.638453|5.206543|3.679626|4.285778|6.087886|7.396612|5.168234|3.923694|5.653495|2.923981|2.425344|12.516414|0.241452|36.858105| |1.609243|1.838245|2.009212|2.385307|4.559588|3.119789|3.691593|5.011701|5.370079|3.959883|3.201975|4.731969|2.442787|2.082383|7.901609|0.167832|13.442843|36.858105| |1.615298|1.844269|2.019478|2.395874|4.593238|3.147318|3.700030|5.006143|5.452475|4.041117|3.249901|4.808198|2.403530|2.072831|8.076563|0.173888|8.085441|12.372561|36.858105| |1.519414|1.721520|1.858898|2.172047|4.091247|2.722899|3.153240|3.997070|4.165109|3.303688|2.773185|4.211351|2.115629|1.860713|5.427972|0.129009|5.413488|7.741626|15.845877|73.516695| |1.736835|1.993362|2.230678|2.678761|5.304006|3.764979|4.358598|6.180267|7.708056|5.390786|4.045623|5.819052|2.808525|2.387101|13.047341|0.255970|8.178222|8.161256|14.075285|14.908425|53.358707| |1.722432|1.961306|2.197571|2.597768|5.157241|3.567611|3.928016|5.017909|6.025766|4.942300|3.883051|5.788302|2.719767|2.371544|7.456958|0.191688|5.116833|5.123986|7.820118|12.039931|18.027094|36.858105| |1.895891|2.183485|2.446906|2.927055|5.731767|3.931275|4.380206|5.246971|5.550971|4.737167|4.056349|5.997344|2.748456|2.399756|5.494891|0.136800|4.079838|4.083353|5.588880|9.310424|10.316842|12.404281|36.858105| |2.097023|2.446278|2.810184|3.441297|6.953522|4.947809|5.406700|6.283840|6.639813|5.890196|5.126027|7.288500|3.199998|2.737738|5.678537|0.141342|4.081784|3.852489|4.843304|7.682586|9.121613|8.849004|17.637189|0.500000| |1.777005|2.006203|2.217047|2.553260|4.918125|3.183177|3.370189|3.735690|3.917768|3.644271|3.293606|5.193354|2.415755|2.189285|3.920660|0.104330|3.124535|3.170546|4.129947|7.440117|6.768319|7.514057|12.429808|0.242074|36.858105| |1.633100|1.834080|1.977896|2.257805|4.220902|2.686753|2.923867|3.258226|3.298430|2.975442|2.707786|4.286427|2.062457|1.878478|3.435267|0.089774|2.917766|3.123289|4.137982|8.151436|6.094779|6.061029|7.959694|0.159246|12.391952|36.858105| |1.716500|1.958040|2.096586|2.446091|4.496360|2.904316|3.325749|3.798525|3.643169|3.116833|2.831427|4.348941|2.106448|1.881619|3.776882|0.093585|3.291223|3.652632|4.961413|10.006912|6.918978|6.126971|8.249665|0.166260|7.879398|12.335489|36.858105| |1.912013|2.222571|2.430378|2.931630|5.483151|3.689837|4.387979|5.218955|4.862894|3.975816|3.556841|5.240324|2.478137|2.160559|4.788517|0.113497|3.934669|4.192912|5.723823|10.141471|8.918006|7.782334|13.590041|0.264478|8.246788|8.039437|13.521612|73.516695| |1.511587|1.715145|1.844811|2.159647|4.043318|2.686177|3.149293|4.011824|4.078872|3.200590|2.706108|4.095440|2.154614|1.863471|5.282934|0.122799|7.884513|15.785883|7.972487|11.756454|7.495865|3.990940|3.359674|0.087884|2.737574|2.781581|3.256670|6.326894|73.516695| |1.706220|1.945923|2.170732|2.573394|5.070078|3.497056|3.934268|5.094617|5.860113|4.658883|3.724981|5.514572|2.996930|2.472304|7.283672|0.176220|13.401520|7.584709|5.093286|6.965866|6.984738|3.765401|3.198699|0.091196|2.572032|2.405428|2.662914|5.517287|11.018244|36.858105| |1.632772|1.852332|2.030032|2.375476|4.553133|3.033685|3.421931|4.188569|4.414152|3.666608|3.120390|4.740184|2.631325|2.211887|5.092291|0.126206|8.080402|6.423518|4.306954|6.241255|5.548565|3.133758|2.745479|0.077510|2.265554|2.166102|2.411947|4.874108|11.082234|15.700843|73.516695| |1.754621|1.986097|2.258068|2.644593|5.384054|3.695276|3.856576|4.666433|5.739138|5.257510|4.179555|6.359579|3.586956|2.906617|6.279027|0.176162|7.550148|4.941913|3.949933|5.646059|5.868974|3.430402|2.965397|0.087021|2.436828|2.220936|2.383495|4.935837|7.433351|12.492534|14.591429|36.858105| |1.879375|2.126605|2.440003|2.839096|5.819199|3.896895|3.908346|4.364215|5.000632|4.989890|4.351553|6.794417|4.095856|3.234278|4.752952|0.131599|5.222712|3.826243|3.206791|4.747381|4.765746|2.928539|2.655876|0.079475|2.220978|2.017226|2.158072|4.460866|6.006671|7.372099|11.079129|14.175836|36.858105| |1.834024|2.038223|2.355101|2.655687|5.519476|3.554550|3.358879|3.583134|4.156678|4.553855|4.134608|7.006555|4.498569|3.655340|3.934429|0.115547|4.014330|3.109337|2.738337|4.155157|4.115613|2.649857|2.419510|0.072613|2.076943|1.871292|1.958187|3.995659|4.941242|5.027995|7.842910|8.231408|13.710014|53.358707| |1.692695|1.865662|2.145600|2.399829|4.990689|3.223492|3.048568|3.328637|4.029417|4.466212|3.864660|6.686717|4.107915|3.505259|4.049527|0.126704|4.021359|3.123889|2.798726|4.253544|4.245525|2.765534|2.459955|0.073015|2.130458|1.911674|1.970070|3.985882|4.922208|4.823888|7.313348|7.785344|8.629735|20.346856|36.858105| |1.606396|1.785076|2.030710|2.312487|4.749995|3.169271|3.149228|3.679236|4.698745|4.770645|3.765862|6.137201|3.454414|2.944566|5.422144|0.181780|5.555622|4.071995|3.554324|5.240413|5.403853|3.364071|2.826114|0.081969|2.398472|2.164080|2.240184|4.538479|6.200623|6.639870|9.126678|10.925998|7.556534|10.209670|10.979472|388.023441| |1.594970|1.727200|1.978192|2.152743|4.449183|2.771876|2.569062|2.726452|3.221987|3.653073|3.310749|6.098033|3.822158|3.545102|3.225770|0.101618|3.122376|2.561152|2.373218|3.703533|3.580984|2.429950|2.188837|0.064666|1.951945|1.751255|1.772477|3.528432|4.107329|3.526672|5.570719|4.852124|5.219097|10.594116|12.693199|47.778557|36.858105| |2.042969|2.339816|2.661241|3.126365|6.200496|4.044201|4.172309|4.402925|4.486944|4.340766|4.127690|6.367163|3.896629|3.059253|4.021150|0.105110|4.482411|3.512262|2.946001|4.438843|4.270454|2.648306|2.495596|0.075018|2.093366|1.923073|2.090952|4.323748|5.698941|5.984530|10.283456|7.502741|12.705786|10.476214|5.310449|33.889045|3.873740|36.858105| |17.542889|8.769668|5.457581|4.050884|5.811235|2.700727|2.553535|2.156790|1.953430|2.021289|2.333922|4.134714|2.316544|2.202659|1.694006|0.044848|1.610860|1.524475|1.528847|2.573933|2.214974|1.612052|1.771016|0.053802|1.669138|1.553025|1.637201|3.207384|2.565648|1.600310|2.743874|1.631023|1.737199|2.297898|1.562885|10.617557|1.473729|1.891364|0.500000| |17.536497|8.776741|6.783865|4.513543|6.691010|2.989919|2.711643|2.267554|2.082272|2.205563|2.605645|4.739875|2.740676|2.627678|1.785602|0.047642|1.691116|1.573816|1.566228|2.608849|2.291635|1.659898|1.802264|0.055290|1.683865|1.545776|1.619711|3.206389|2.631053|1.699396|2.898517|1.766467|1.914076|2.567189|1.730524|11.520161|1.638735|2.090117|0.301539|0.500000| |17.536295|8.776790|6.785071|4.513389|6.693394|2.993905|2.712532|2.269125|2.085880|2.211254|2.612207|4.758847|2.634373|2.552524|1.788809|0.047759|1.667881|1.564651|1.585901|2.660925|2.333800|1.721638|1.906113|0.058659|1.809129|1.652662|1.717344|3.387988|2.603955|1.645160|2.782148|1.696379|1.803804|2.413608|1.653551|11.184950|1.570374|1.928967|0.301520|0.301720|0.500000| |8.866788|17.509207|8.846069|6.892438|8.387190|3.748993|3.601697|2.873920|2.496810|2.551667|3.015741|5.110189|2.857157|2.554120|2.096924|0.054487|2.001855|1.870600|1.851249|3.065271|2.694932|1.918487|2.111076|0.065150|1.919998|1.773969|1.915102|3.860404|3.124661|1.998673|3.418488|2.028150|2.187422|2.824506|1.879439|12.776187|1.726364|2.459937|0.212891|0.210855|0.173033|0.500000| |8.866670|17.508943|8.847083|6.891123|8.391016|3.756544|3.603609|2.877003|2.502897|2.560299|3.025659|5.133447|2.737936|2.485252|2.102021|0.054658|1.963851|1.855345|1.883706|3.150038|2.763657|2.014849|2.282193|0.070822|2.110670|1.939761|2.081272|4.187467|3.079842|1.912552|3.233090|1.924651|2.027956|2.624873|1.782569|12.326137|1.647450|2.209585|0.212903|0.173031|0.210834|0.303912|0.500000| |6.841369|8.822267|17.535172|8.943377|13.175929|4.931018|4.046715|3.155548|2.874610|3.157855|4.044032|7.388426|3.889013|3.562985|2.339127|0.062157|2.113534|1.936550|1.975668|3.250273|2.995953|2.212965|2.489571|0.079860|2.296712|2.024460|2.110259|4.329310|3.148626|2.063430|3.405442|2.154280|2.299379|3.059940|2.083242|14.070719|1.945408|2.441703|0.139949|0.168503|0.202936|0.173289|0.211049|0.500000| |6.846386|8.826172|17.531174|8.939776|13.151849|4.911385|4.042195|3.150340|2.864453|3.140627|4.018785|7.317059|4.255004|3.775161|2.331471|0.061889|2.160654|1.953492|1.937824|3.156611|2.908125|2.086472|2.271149|0.071948|2.056131|1.837490|1.937008|3.969301|3.195959|2.172452|3.623731|2.302176|2.539955|3.389949|2.242524|14.749549|2.079084|2.793204|0.140013|0.203074|0.168655|0.211064|0.173331|0.303439|0.500000| |4.527769|6.837495|8.842005|17.521929|16.531546|7.074209|6.795508|4.612692|3.740569|3.804407|4.767947|7.339357|3.962158|3.200397|2.912484|0.073811|2.729335|2.465884|2.418833|3.880679|3.615685|2.508769|2.766990|0.088534|2.387082|2.151622|2.367374|5.019391|4.005265|2.711995|4.516552|2.760923|3.006439|3.748465|2.441297|16.701387|2.160394|3.453430|0.108348|0.119619|0.111167|0.205945|0.170171|0.174168|0.213092|0.500000| |4.528302|6.841747|8.841038|17.524560|16.544781|7.122625|6.811348|4.626612|3.760992|3.832116|4.804979|7.403844|3.656474|3.064824|2.926196|0.074232|2.634654|2.431285|2.493603|4.059424|3.788720|2.738952|3.195444|0.104804|2.791915|2.472930|2.709649|5.820675|3.912052|2.506203|4.110128|2.513367|2.624920|3.311773|2.237369|15.721207|2.009668|2.842396|0.108379|0.111182|0.119584|0.170400|0.206049|0.212946|0.174118|0.301303|0.500000| |3.049707|4.014497|4.689641|7.459469|12.487208|8.888017|17.754991|8.975367|5.644747|4.984798|5.649108|7.477084|3.683222|2.914624|4.083681|0.096675|3.729311|3.375648|3.366143|5.253414|5.125258|3.431597|3.893938|0.127660|3.102920|2.782290|3.225129|7.362480|5.298544|3.476338|5.606546|3.324979|3.397842|3.999374|2.659583|19.416117|2.277037|3.766671|0.077090|0.079831|0.079755|0.114261|0.114036|0.115662|0.115846|0.228617|0.227153|0.500000| |2.198963|2.656714|2.984356|3.914756|7.438200|5.644101|8.954211|17.741370|8.941242|5.684741|4.966245|6.512450|3.199914|2.577232|6.964391|0.140580|6.488089|5.879366|5.756059|8.116240|8.755843|4.941539|5.109134|0.155725|3.646565|3.345641|4.108745|9.985703|8.402836|5.198287|7.892858|4.341982|3.957936|4.372426|3.003161|24.135926|2.477121|4.076719|0.056947|0.058736|0.058745|0.075244|0.075261|0.078029|0.077986|0.114128|0.114232|0.217881|0.500000| |2.044052|2.329996|2.807224|3.336134|7.614291|5.668401|4.981443|5.670703|8.883322|17.709384|9.031487|13.200965|5.713566|4.389771|6.930586|0.228368|4.832635|3.719386|3.810936|5.607046|6.868473|4.794308|4.329363|0.141989|3.491394|2.847138|2.888006|6.302498|5.388658|4.436687|6.201425|5.287319|4.891213|6.506144|5.058751|38.910315|4.216499|3.989098|0.051521|0.056364|0.056531|0.063050|0.063281|0.078236|0.077779|0.088473|0.089085|0.108059|0.124323|0.500000| |3.014253|3.433276|4.637358|5.053028|12.821929|6.517340|4.600669|3.884324|3.999747|5.107541|7.241176|16.521826|17.573114|8.852585|3.131773|0.086819|2.805617|2.370564|2.309053|3.629425|3.607483|2.538113|2.604867|0.083937|2.285391|1.979548|2.050641|4.286430|3.757895|2.906342|4.627125|3.398807|3.975455|5.727539|3.677932|22.228396|3.364068|4.062618|0.072110|0.087738|0.081714|0.092299|0.085398|0.124034|0.148632|0.132166|0.113767|0.111071|0.089709|0.130167|0.500000| |2.366940|2.648026|3.317794|3.702910|8.755714|5.386640|4.173564|3.932491|4.490237|6.164927|7.311113|16.521368|17.552107|8.830764|3.626284|0.105540|3.203408|2.609357|2.513628|3.888413|3.988058|2.768848|2.707702|0.086142|2.354184|2.028890|2.081035|4.340059|4.076544|3.383465|5.220056|4.286369|5.097860|8.147291|5.328598|29.618638|4.807476|4.584017|0.058399|0.067972|0.064688|0.072103|0.068239|0.090456|0.100082|0.099674|0.090028|0.097457|0.090648|0.175590|0.301461|0.500000| |2.429073|2.560169|3.166279|3.151195|6.900150|3.665196|2.941517|2.700859|2.903701|3.601639|4.261195|10.219138|8.857818|17.536973|2.493940|0.072282|2.259512|1.949365|1.914905|3.068400|2.950243|2.129286|2.136175|0.066608|1.956227|1.706990|1.717715|3.469656|3.136520|2.348139|3.793099|2.775811|3.154797|4.979512|3.454120|19.981319|3.586786|3.022584|0.059444|0.071734|0.067836|0.068198|0.064842|0.089726|0.099327|0.082628|0.076764|0.073549|0.065421|0.103213|0.212195|0.211877|0.500000| |2.237706|2.390569|2.950745|3.042049|6.844513|3.843668|3.060917|2.885061|3.239044|4.228629|4.874821|12.916372|8.856541|17.561988|2.790339|0.083166|2.428903|2.086071|2.095140|3.348819|3.306529|2.445013|2.438632|0.076724|2.247267|1.914819|1.891609|3.838211|3.306231|2.453176|3.871820|2.896915|3.137391|4.890349|3.617865|21.796765|3.797138|2.865520|0.055151|0.064173|0.063456|0.062933|0.062257|0.085996|0.087794|0.078019|0.076685|0.074652|0.069037|0.128688|0.173411|0.211529|0.300283|0.500000| |2.761766|2.923364|3.769820|3.672961|8.348490|4.201811|3.221111|2.868159|3.041660|3.838507|4.857942|12.919462|8.863087|17.564249|2.546556|0.073059|2.242321|1.958818|1.973008|3.180226|3.080951|2.282330|2.363370|0.075178|2.187473|1.873509|1.869277|3.802448|3.130792|2.253183|3.612572|2.572333|2.814759|4.182224|2.948302|18.297032|2.955835|2.726163|0.066286|0.080042|0.079310|0.075121|0.074514|0.113308|0.115471|0.091061|0.089911|0.080346|0.068670|0.107256|0.212320|0.173239|0.300081|0.300978|0.500000| |1.710233|1.931533|2.190027|2.557751|5.198561|3.581871|3.735203|4.599190|5.934307|5.395715|4.119790|6.306383|2.923988|2.571009|7.143541|0.215904|4.738692|4.420196|5.896648|9.079692|12.542014|17.513850|8.905505|0.218947|6.697916|5.043204|4.711754|10.109113|6.234685|3.652515|5.346205|3.512462|3.005971|3.799485|2.981237|25.840751|2.652259|2.650913|0.044228|0.046044|0.047733|0.052174|0.054650|0.061811|0.058278|0.067952|0.073759|0.089131|0.119138|0.156440|0.074038|0.083033|0.063526|0.075043|0.068215|0.500000| |1.582075|1.782848|1.966623|2.282709|4.441279|2.973858|3.256108|4.005644|4.564694|3.880299|3.182151|4.903110|2.363979|2.104029|5.699880|0.151839|4.465900|4.815652|7.613986|13.932751|12.731378|17.596519|8.835275|0.174133|7.157725|6.785991|6.459878|12.116134|6.980774|3.372966|5.142311|3.037583|2.599431|3.228113|2.490002|21.546424|2.222216|2.364229|0.041437|0.042358|0.043970|0.048558|0.051012|0.055040|0.051978|0.061586|0.066892|0.081610|0.113595|0.106852|0.061670|0.066946|0.053085|0.060408|0.056459|0.302159|0.500000| |1.895449|2.140812|2.366146|2.705751|5.169045|3.266257|3.392212|3.577447|3.636515|3.494813|3.311519|5.297984|2.444955|2.233358|3.452251|0.091856|2.800773|2.799438|3.473663|6.176360|5.587889|5.543838|8.846822|0.222491|17.553241|8.776538|6.491817|12.397703|4.358927|2.366962|3.740261|2.274137|2.115518|2.713021|2.025120|15.816965|1.869198|2.020454|0.049348|0.049485|0.054066|0.056236|0.063191|0.069047|0.060223|0.069048|0.083505|0.087919|0.095542|0.091850|0.064671|0.065005|0.055180|0.063269|0.062967|0.144792|0.142478|0.500000| |1.681002|1.875128|2.081778|2.360566|4.610823|2.962495|3.042675|3.365156|3.683634|3.553800|3.173360|5.144011|2.400219|2.208575|3.782362|0.105471|2.999051|2.997616|3.837875|6.861606|6.335109|7.144159|8.653557|0.192807|17.553289|8.649534|5.709961|10.385586|4.607572|2.495243|3.893031|2.406369|2.185498|2.823747|2.161865|17.364873|2.006388|2.027403|0.043794|0.044573|0.047708|0.049796|0.054250|0.060205|0.054264|0.061300|0.070341|0.077005|0.089830|0.098455|0.062168|0.065307|0.054746|0.063992|0.061031|0.203453|0.197249|0.301686|0.500000| |1.602598|1.785681|1.904391|2.140806|3.947672|2.453856|2.636630|2.845908|2.837194|2.618243|2.446860|3.942711|1.913014|1.764017|2.891187|0.076257|2.512625|2.670549|3.372723|6.594905|4.871750|4.534761|5.770188|0.129209|8.695567|17.562515|8.664624|10.722130|4.319569|2.124950|3.446280|1.981441|1.824860|2.322991|1.737082|13.754279|1.607338|1.755331|0.042542|0.041958|0.045278|0.047772|0.052812|0.054464|0.048969|0.056445|0.065446|0.070858|0.080844|0.069745|0.051287|0.051903|0.044689|0.049835|0.049295|0.111038|0.136689|0.222326|0.190399|0.500000| |1.507751|1.679918|1.809498|2.049183|3.850421|2.449841|2.646843|2.988656|3.104333|2.803869|2.510961|4.012854|1.954991|1.791010|3.375995|0.089932|2.908807|3.162767|4.247928|8.723662|6.062836|6.020831|6.488956|0.133591|8.750385|17.570816|8.748593|11.037710|5.043189|2.392533|3.837428|2.201160|1.977702|2.504699|1.899870|15.498128|1.747128|1.865275|0.039903|0.039915|0.042303|0.045361|0.048933|0.051271|0.047191|0.054692|0.061392|0.069591|0.085545|0.076095|0.051853|0.053990|0.045461|0.051069|0.049256|0.141324|0.212985|0.175044|0.220305|0.303007|0.500000| |1.750349|1.998167|2.105201|2.440654|4.378244|2.764768|3.171983|3.480240|3.223913|2.805861|2.629180|4.073820|1.990838|1.787436|3.232876|0.080403|2.900683|3.194829|4.053968|8.021338|5.546688|4.613843|6.080472|0.138545|6.103673|8.671475|17.568152|16.775383|5.209212|2.416546|3.958252|2.175216|2.002721|2.479925|1.815852|14.421827|1.641778|1.973213|0.046686|0.045540|0.048633|0.054283|0.059719|0.058800|0.053574|0.065663|0.076175|0.088185|0.105112|0.071753|0.054446|0.054228|0.045523|0.049536|0.049719|0.104855|0.131229|0.159420|0.128460|0.223233|0.178837|0.500000| |1.604893|1.822019|1.941412|2.255614|4.143950|2.681025|3.087615|3.611807|3.503913|2.946498|2.634228|4.053509|1.995502|1.782165|3.824525|0.094199|3.468327|4.058899|5.738318|13.025889|7.218456|5.936102|6.556790|0.137358|5.952390|8.697074|17.628321|16.568297|6.547616|2.771170|4.500763|2.423691|2.165014|2.654124|1.968321|16.162508|1.763165|2.090402|0.042679|0.042334|0.044354|0.049977|0.053371|0.053815|0.050327|0.061560|0.068351|0.083238|0.111600|0.076611|0.053981|0.055442|0.045547|0.049839|0.048785|0.125040|0.188173|0.135714|0.134001|0.182479|0.226931|0.300467|0.500000| |1.464902|1.577761|1.782213|1.929084|3.913653|2.422497|2.289981|2.447783|2.853332|3.122165|2.821641|5.126953|3.138777|2.964654|2.947362|0.092499|2.925243|2.451567|2.261146|3.563940|3.345751|2.271158|2.031068|0.059135|1.828177|1.660759|1.677642|3.297445|3.991193|3.309853|5.354844|4.360304|4.484554|8.211604|8.874755|43.679149|17.550157|3.432116|0.037857|0.041739|0.040067|0.043916|0.041992|0.048695|0.051766|0.053958|0.050463|0.057122|0.062964|0.098514|0.078530|0.104889|0.083637|0.087899|0.070587|0.068428|0.058621|0.048424|0.052346|0.042438|0.046388|0.043194|0.046704|0.500000| |1.602146|1.731583|1.995490|2.165786|4.525474|2.821892|2.577126|2.730367|3.281805|3.840018|3.459016|6.551144|4.007812|3.828503|3.276211|0.105846|3.042528|2.513583|2.392006|3.746310|3.674521|2.551906|2.294620|0.068024|2.063408|1.828495|1.826232|3.636115|3.990789|3.288660|5.112944|4.351860|4.472491|8.207977|8.868090|43.568334|17.549620|3.424972|0.041005|0.045553|0.044163|0.047622|0.046051|0.055179|0.057940|0.059485|0.056461|0.063010|0.068295|0.128611|0.094665|0.137598|0.104908|0.119464|0.088077|0.079015|0.064620|0.054900|0.059599|0.046588|0.050714|0.046790|0.050157|0.301745|0.500000| |1.642005|1.766185|2.025800|2.174806|4.482674|2.727721|2.493863|2.578501|2.961239|3.378754|3.207124|6.053563|3.990804|3.791407|2.873044|0.087894|2.793320|2.324467|2.158217|3.395370|3.236364|2.210994|2.035391|0.060496|1.825933|1.641789|1.665851|3.312521|3.766373|3.158838|5.107600|4.222662|4.860250|10.161717|9.018001|36.336674|17.608235|3.847465|0.042049|0.047273|0.044813|0.049117|0.046390|0.055171|0.059935|0.060775|0.055769|0.061963|0.064997|0.104945|0.098863|0.140183|0.111251|0.110557|0.086630|0.066356|0.056217|0.049078|0.051827|0.042156|0.045219|0.043229|0.045828|0.300046|0.299986|0.500000| |1.950569|2.196721|2.458813|2.796856|5.427178|3.383104|3.429416|3.531124|3.578605|3.531894|3.436958|5.547312|3.480599|2.847136|3.306345|0.088229|3.680119|3.020181|2.559708|3.940113|3.649008|2.309644|2.185283|0.065057|1.871007|1.733966|1.871673|3.801606|5.045817|4.795013|8.796399|5.825364|8.943918|9.545023|4.883453|29.713758|3.752378|17.546048|0.050457|0.055969|0.051014|0.064520|0.057280|0.062675|0.072548|0.085786|0.070529|0.088589|0.092695|0.092742|0.101604|0.112617|0.080235|0.074015|0.070668|0.064401|0.058191|0.050364|0.050583|0.044333|0.046916|0.049401|0.052106|0.094317|0.090186|0.106848|0.500000| |2.303494|2.675859|3.117922|3.725142|7.535883|4.885637|4.845526|4.757558|4.687713|4.743273|4.841751|7.397869|4.649341|3.482594|3.896247|0.101459|4.061431|3.238672|2.826623|4.287772|4.187290|2.653650|2.567156|0.078752|2.152855|1.955167|2.122538|4.436489|5.199884|4.922235|8.149093|5.956175|8.917490|9.220092|4.803099|29.846098|3.676448|17.532861|0.058531|0.065756|0.060065|0.078325|0.069239|0.078268|0.092190|0.116066|0.091197|0.120304|0.117311|0.116887|0.141262|0.150133|0.095074|0.087970|0.086164|0.074017|0.065134|0.058423|0.057646|0.049760|0.052126|0.055959|0.058133|0.088667|0.092865|0.103765|0.301735|0.500000| 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