Version2.0 2020-07-27T15:02:38Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 03-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc2c(c3c(s2)C[C@H](CC3)C(C)(C)C)C#N C10039371 RHF 6-31G(d) (6D,7F) CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc2c(c3c(s2)C[C@H](CC3)C(C)(C)C)C#N C01[X(C27H35N3O4S2)] 207 C1 618 CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C2)C(C)(C)C CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C2)C(C)(C)C CCOc1cc(cc(OCC)c1OCC)C(=O)NC(=S)Nc2sc3C[C@H](CCc3c2C#N)C(C)(C)C InChIKey=VWTRDDPISLLWKP-KRWDZBQOSA-N InChI=1S/C27H35N3O4S2/c1-7-32-20-12-16(13-21(33-8-2)23(20)34-9-3)24(31)29-26(35)30-25-19(15-28)18-11-10-17(27(4,5)6)14-22(18)36-25/h12-13,17H,7-11,14H2,1-6H3,(H2,29,30,31,35)/t17-/m0/s1 InChI=1/C27H35N3O4S2/c1-7-32-20-12-16(13-21(33-8-2)23(20)34-9-3)24(31)29-26(35)30-25-19(15-28)18-11-10-17(27(4,5)6)14-22(18)36-25/h12-13,17H,7-11,14H2,1-6H3,(H2,29,30,31,35)/t17-/m0/s1/f/h29-30H CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc2c(c3c(s2)C[C@H](CC3)C(C)(C)C)C#N C01[X(C27H35N3O4S2)] 207 C01 618 CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C2)C(C)(C)C CCO[C]1[CH][C]([CH][C]([C]1OCC)OCC)C(=O)NC(=S)N[C]1SC2=[C]([C]1C#N)CC[C@@H](C2)C(C)(C)C CCO[C]1[CH][C]([CH][C](OCC)[C]1OCC)C(=O)NC(=S)N[C]2SC3=C(CC[C@@H](C3)C(C)(C)C)[C]2C#N InChIKey=VWTRDDPISLLWKP-KRWDZBQOSA-N InChI=1S/C27H35N3O4S2/c1-7-32-20-12-16(13-21(33-8-2)23(20)34-9-3)24(31)29-26(35)30-25-19(15-28)18-11-10-17(27(4,5)6)14-22(18)36-25/h12-13,17H,7-11,14H2,1-6H3,(H2,29,30,31,35)/t17-/m0/s1 InChI=1/C27H35N3O4S2/c1-7-32-20-12-16(13-21(33-8-2)23(20)34-9-3)24(31)29-26(35)30-25-19(15-28)18-11-10-17(27(4,5)6)14-22(18)36-25/h12-13,17H,7-11,14H2,1-6H3,(H2,29,30,31,35)/t17-/m0/s1/f/h29-30H 4045.4860507928 -2300.6202952 1-A 38035.1194 141 477 618 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1385.70 1391.42 1422.12 1431.46 1436.77 1446.59 1454.42 1460.38 1479.21 1509.74 1526.80 1550.90 1572.67 1586.41 1593.15 1634.85 1655.35 1662.27 1688.54 1724.75 1741.99 1748.10 1750.01 1797.13 1802.30 1825.11 1835.92 1847.57 1864.36 1868.89 1870.23 1883.59 1893.98 1903.53 1921.71 1947.08 1975.24 2005.29 2007.96 2014.43 2019.77 2041.26 2051.49 2062.51 2063.84 2070.43 2107.92 2115.32 2144.97 2167.17 2192.41 2218.37 2222.84 2230.01 2232.62 2242.09 2244.47 2252.98 2276.70 2279.64 2285.54 2286.26 2298.72 2331.60 2342.25 2343.12 2343.53 2346.31 2346.80 2353.92 2355.54 2360.01 2365.71 2366.16 2367.91 2378.48 2384.21 2390.70 2402.13 2409.74 2415.53 2418.43 2435.26 2462.04 2567.56 2572.31 2575.52 2594.62 2909.12 3707.54 4567.48 4598.08 4601.87 4605.92 4606.90 4616.54 4617.82 4620.66 4620.69 4630.16 4630.98 4631.17 4635.84 4660.45 4665.99 4679.45 4683.11 4686.24 4686.72 4693.08 4698.66 4703.77 4712.36 4715.01 4718.01 4725.54 4727.02 4731.15 4743.21 4745.64 4747.74 4912.25 4949.12 5488.26 5547.80 0.630923 0.667422 0.668366 0.556872 -2299.989373 -2299.952874 -2299.951929 -2300.063423 3.739527D-04 MUNgauss RevisionA2.0 retrievium 27-Jul-2020 DUDE CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc2c(c3c(s2)C[C@H](CC3)C(C)(C)C)C#N C10039371 RHF 6-31G(d) (6D,10F) C1 529.206900 |X|Y|Z| 59.726287 38.219967 181.678590 74.573843 19 6 7 16 16 2 1 |36.858105| |12.577632|36.858105| |8.081430|13.515773|73.516695| |5.240605|7.987128|25.251874|36.858105| |4.409890|6.716541|14.035126|13.724412|36.858105| |3.346594|4.515851|9.275674|7.954607|13.761722|36.858105| |2.977443|3.782661|8.211905|6.838647|7.889029|13.720474|36.858105| |3.198684|3.972764|9.402399|7.891876|6.840362|7.944642|13.707611|36.858105| |4.098266|5.251991|14.621378|13.666349|7.907567|6.886114|7.905209|13.677744|36.858105| |4.072554|4.698966|12.768448|8.016895|5.233434|4.628959|5.233208|8.024995|14.115064|73.516695| |3.805272|4.152080|10.419951|5.950573|4.287526|3.860912|4.285079|5.940113|8.115713|23.928391|36.858105| 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|1.301200|1.442731|2.644688|1.637284|1.790256|2.007028|2.020558|1.806729|1.643153|2.660476|1.473799|1.329652|3.121121|1.880867|1.723632|2.224308|3.735068|3.594586|3.037856|19.636164|5.175058|5.034634|7.259681|12.662048|7.639821|33.634643|6.293081|7.484528|0.198287|12.432616|36.858105| |1.081939|1.181638|2.136364|1.299747|1.409076|1.544486|1.539680|1.399642|1.295823|2.128303|1.167420|1.074505|2.426972|1.451554|1.355963|1.704818|2.966658|2.613755|2.195051|15.777433|3.341834|2.988899|3.264577|4.322473|4.866367|24.947814|7.325442|12.205297|0.247700|7.314040|4.828088|36.858105| |1.061354|1.155335|2.073784|1.253528|1.359715|1.475573|1.455665|1.327051|1.240257|2.039848|1.122199|1.033983|2.287774|1.353329|1.263147|1.630855|2.865587|2.472722|2.064762|14.881788|3.119431|2.742567|2.964799|3.792585|4.205943|22.654662|5.867528|7.392779|0.152404|6.244358|4.192222|12.385864|36.858105| |1.021584|1.109728|2.014946|1.222168|1.312064|1.432660|1.442000|1.324643|1.227027|2.030046|1.119281|1.035784|2.318609|1.391203|1.314508|1.557370|2.692722|2.374283|1.953349|13.826102|2.965117|2.584096|2.867471|3.642835|3.786749|20.399546|4.862770|7.528211|0.201989|6.058379|4.323563|12.371191|7.618893|36.858105| |1.062525|1.159723|2.093789|1.273338|1.380904|1.513395|1.508051|1.370623|1.269118|2.085719|1.136442|1.049022|2.377370|1.424027|1.331515|1.673318|2.930898|2.543924|2.141618|15.855207|3.177262|2.793547|2.910887|3.657080|4.327978|24.233111|6.447857|7.493695|0.189609|4.835665|3.747052|12.374696|7.619503|7.680946|36.858105| |1.626122|1.847044|3.448401|2.197028|2.445353|2.846760|2.895173|2.503419|2.216927|3.493396|1.940071|1.696216|4.250876|2.565276|2.253788|3.171481|5.038430|5.543987|4.551556|24.964113|9.117649|7.810906|13.304453|7.473749|5.193899|34.420217|3.768775|3.577621|0.100526|4.134653|6.059085|2.776117|2.562109|2.551533|2.468275|36.858105| |1.660893|1.880486|3.542998|2.253797|2.469643|2.847339|2.940746|2.591538|2.297364|3.641258|2.053947|1.788928|4.440724|2.667599|2.358351|3.057264|4.804108|5.204306|3.977739|21.848665|7.325054|5.506716|7.413983|5.266651|3.975477|26.871945|3.099538|3.027564|0.085504|3.502346|4.833485|2.440274|2.277789|2.299566|2.180902|16.729877|53.358707| |17.575839|8.862194|12.947353|4.868392|4.024706|3.139464|2.857609|3.117179|3.991587|7.293344|4.090529|3.715704|4.830802|2.275433|2.062265|2.689087|4.762224|3.155478|2.012396|13.257308|2.542855|1.648455|1.553847|1.394959|1.361630|10.650041|1.235975|1.160469|0.032177|1.189844|1.290947|1.065147|1.045669|1.009365|1.041595|1.619395|2.270750|0.500000| |17.555950|8.882722|10.249688|4.243231|3.852820|3.010985|2.653445|2.771980|3.392200|5.902153|3.136886|2.875549|4.271783|2.065716|1.862868|2.688391|4.962849|3.102619|2.008580|13.573556|2.502342|1.628462|1.518966|1.372425|1.354943|10.691551|1.236007|1.152049|0.031818|1.173845|1.263471|1.061567|1.046165|1.000477|1.043613|1.557632|2.154556|0.300474|0.500000| |17.582214|8.867406|12.958822|4.910358|4.033276|3.152206|2.881079|3.156585|4.053503|7.480046|3.817965|3.581280|4.898670|2.308417|2.094043|2.692304|4.830325|3.110981|1.991630|13.405550|2.475973|1.607674|1.501311|1.354272|1.334574|10.522455|1.216684|1.138004|0.031647|1.155214|1.247893|1.047389|1.024477|0.991310|1.032475|1.544805|2.143636|0.300924|0.300319|0.500000| |8.842680|17.558742|16.529235|7.163653|6.833466|4.643246|3.786942|3.842937|4.844727|7.527798|3.605743|3.077237|5.512390|2.611818|2.252978|3.936590|7.367069|4.195243|2.608102|17.556449|3.122030|1.973091|1.796925|1.597479|1.585031|12.838278|1.426418|1.312808|0.036393|1.328316|1.443028|1.196793|1.169236|1.119598|1.181240|1.827906|2.504585|0.173338|0.212464|0.212105|0.500000| |8.848190|17.549374|16.511787|7.035720|6.791856|4.602458|3.733872|3.772331|4.740094|7.337912|3.832801|3.161426|5.416053|2.564225|2.213476|3.926210|7.131464|4.305947|2.655053|17.226178|3.259179|2.049829|1.889000|1.665368|1.630838|13.071262|1.457705|1.347571|0.037203|1.381673|1.510715|1.223438|1.200988|1.145757|1.194900|1.955103|2.714113|0.212165|0.212646|0.173438|0.300966|0.500000| |4.676841|7.419791|12.483071|8.851017|17.802607|8.991581|5.649051|4.942203|5.619772|7.488393|3.617639|2.898014|6.519222|3.131113|2.552567|7.312038|13.414058|6.658805|3.790237|24.060996|4.345603|2.603084|2.309365|1.989739|1.963703|16.348713|1.721750|1.563377|0.043293|1.588787|1.756250|1.399887|1.361101|1.297192|1.373081|2.352259|3.203764|0.115172|0.118059|0.114712|0.224684|0.228203|0.500000| |2.552555|3.130421|6.519673|4.940086|5.629712|8.896612|17.781031|8.908516|5.634714|7.513877|3.620418|2.901599|12.588507|7.481439|4.700627|6.923952|8.765278|9.890622|5.111250|28.414052|6.036335|3.456085|3.060527|2.525680|2.430030|20.254175|2.063432|1.891852|0.054227|1.904518|2.191442|1.647156|1.541179|1.541601|1.614989|3.194994|4.369345|0.068409|0.064314|0.069027|0.087793|0.086526|0.124477|0.500000| |3.219422|3.566711|8.462649|5.215522|4.056666|3.877116|4.512265|6.300520|7.262587|16.525677|17.561105|8.841598|11.955339|4.755641|4.373350|3.010178|4.697717|3.859037|2.365842|14.575828|3.102192|1.983157|1.915290|1.676459|1.587199|12.215642|1.412520|1.349084|0.038249|1.392588|1.560308|1.215168|1.163679|1.168193|1.178209|2.090761|3.048876|0.095262|0.076021|0.088365|0.087998|0.094803|0.094526|0.108310|0.500000| |4.397260|4.779965|12.088211|6.325913|4.519555|3.881211|4.057869|5.210429|7.270801|16.525251|17.565836|8.842050|8.424490|3.559053|3.211628|3.022254|4.866796|3.718846|2.283570|14.271281|2.953818|1.886351|1.806330|1.589133|1.516835|11.747008|1.355716|1.287009|0.036172|1.328956|1.475368|1.165237|1.126259|1.114351|1.131037|1.947939|2.811334|0.137566|0.098795|0.117600|0.109513|0.125091|0.108373|0.094526|0.300619|0.500000| |3.857072|3.724094|8.464723|4.230585|3.236611|2.879057|3.053117|3.844608|4.885185|12.927381|8.873830|17.576699|6.881502|3.056841|2.987398|2.353493|3.901772|2.921241|1.858335|12.057919|2.396424|1.567836|1.504064|1.351583|1.304463|10.035715|1.185220|1.131059|0.031906|1.155833|1.265695|1.036191|1.000190|0.996886|1.014678|1.593892|2.270314|0.116609|0.088490|0.116055|0.091454|0.091732|0.080718|0.074618|0.173425|0.212297|0.500000| |2.988883|3.058363|6.889314|3.845203|3.053411|2.877391|3.233010|4.225049|4.882849|12.928950|8.872714|17.576095|8.442878|3.718655|3.851298|2.347777|3.813095|2.987647|1.901814|12.239770|2.473525|1.622030|1.565148|1.404017|1.348349|10.322852|1.222565|1.172445|0.033302|1.196904|1.318030|1.070785|1.026085|1.034825|1.048282|1.669215|2.389812|0.087422|0.071027|0.087724|0.077786|0.077578|0.074488|0.080858|0.212244|0.173424|0.300882|0.500000| |3.121162|3.099523|6.814880|3.631876|2.915336|2.691313|2.913438|3.626806|4.265793|10.219285|8.872008|17.547025|6.785931|3.091530|3.110731|2.231652|3.651531|2.851787|1.822844|11.650422|2.399294|1.578085|1.535992|1.378138|1.315681|9.996380|1.192991|1.147812|0.032434|1.182261|1.301815|1.049303|1.011891|1.014981|1.020738|1.653403|2.389700|0.096138|0.074188|0.088827|0.076193|0.080662|0.072690|0.072719|0.211997|0.211979|0.300271|0.300268|0.500000| |2.249389|2.608087|5.499024|3.833008|3.780200|4.626998|6.800856|7.133499|4.830658|7.513270|3.592076|3.067156|16.532678|17.549393|8.846488|3.842453|5.679510|5.319672|3.289725|20.463252|4.142813|2.616801|2.427006|2.104338|2.032870|16.218029|1.785215|1.676782|0.048734|1.671494|1.891760|1.486084|1.380224|1.417163|1.470546|2.531883|3.503254|0.060804|0.056479|0.062952|0.072843|0.069570|0.087714|0.227366|0.108885|0.087733|0.077620|0.091122|0.075921|0.500000| |2.214340|2.565128|5.420199|3.771718|3.728699|4.586122|6.775607|7.034589|4.744357|7.355278|3.832657|3.162346|16.515627|17.536731|8.852008|3.824454|5.523353|5.607355|3.416545|20.026249|4.544014|2.843346|2.713897|2.299080|2.156268|16.854778|1.865233|1.770666|0.051464|1.800969|2.081616|1.552335|1.442572|1.487122|1.510733|2.968170|4.258879|0.061153|0.055590|0.060732|0.069653|0.070285|0.086594|0.228628|0.124908|0.094749|0.077638|0.091805|0.080619|0.300715|0.500000| |2.064365|2.277801|4.838580|3.119862|2.857686|3.135453|4.021799|4.870965|3.998555|7.321196|4.088154|3.716523|12.951458|8.864587|17.578577|2.650351|4.085671|3.686465|2.365101|14.708333|3.173172|2.086762|2.043640|1.806019|1.703564|12.920566|1.520011|1.471050|0.042707|1.497851|1.692052|1.318704|1.233584|1.283671|1.286599|2.223221|3.218232|0.058028|0.051568|0.057846|0.060947|0.061158|0.068444|0.115564|0.137048|0.095115|0.087538|0.116837|0.095950|0.173393|0.212330|0.500000| |2.092837|2.307873|4.894927|3.154596|2.880779|3.148444|4.027205|4.904350|4.050579|7.479162|3.801156|3.565898|12.966296|8.870177|17.583990|2.656222|4.147484|3.600875|2.321636|14.877546|3.026699|1.991991|1.912311|1.706836|1.640620|12.626024|1.475670|1.415800|0.041106|1.420804|1.585203|1.277294|1.193858|1.237803|1.261421|2.021082|2.852520|0.057736|0.052278|0.059759|0.063052|0.060688|0.068995|0.115398|0.116698|0.088046|0.087538|0.115493|0.088333|0.212223|0.173492|0.300937|0.500000| |1.862605|2.065665|4.271330|2.770796|2.651800|3.005189|3.846401|4.239783|3.391965|5.908104|3.131541|2.871386|10.252819|8.880132|17.556147|2.640885|4.080363|3.758222|2.470489|15.592667|3.306897|2.200897|2.142414|1.906250|1.812330|13.784593|1.619987|1.566268|0.045972|1.572976|1.775869|1.400867|1.295358|1.364440|1.377945|2.286193|3.239893|0.051522|0.047174|0.052290|0.056541|0.055571|0.064317|0.118535|0.098436|0.075887|0.070998|0.088389|0.074000|0.212586|0.212720|0.300455|0.300291|0.500000| |2.395809|2.939575|5.708965|4.066948|5.109531|7.650179|7.463741|4.986658|4.033700|5.657436|2.931052|2.393313|7.363192|4.234621|3.207774|9.374425|10.940865|26.030954|9.373022|38.395643|11.013952|5.154375|4.291157|3.271816|3.092258|26.857365|2.500197|2.239294|0.063165|2.295031|2.711399|1.901655|1.790801|1.746626|1.833535|4.489728|5.945380|0.064629|0.061995|0.062852|0.082037|0.086102|0.126212|0.240944|0.086906|0.081259|0.062420|0.064869|0.062072|0.119700|0.136794|0.084282|0.079775|0.084920|0.500000| |1.983199|2.337379|4.375012|2.897848|3.430391|4.285670|4.158765|3.294682|2.854292|4.286108|2.311318|1.960655|5.272492|3.112989|2.567448|5.263662|7.823491|11.217580|9.472879|38.307577|25.963642|9.544376|7.606247|4.862817|4.317143|37.327168|3.221714|2.839611|0.079082|2.998719|3.743413|2.314359|2.173728|2.089860|2.171312|7.933847|9.179393|0.054102|0.052438|0.051925|0.064923|0.069331|0.091130|0.129157|0.068547|0.064784|0.051382|0.053197|0.052084|0.086983|0.100215|0.068929|0.064139|0.070392|0.258211|0.500000| |1.246168|1.382286|2.500623|1.544092|1.707988|1.913046|1.892654|1.676037|1.531865|2.474053|1.335618|1.215204|2.869154|1.726920|1.576599|2.181813|3.806822|3.426691|3.047597|22.989411|4.625750|4.407088|4.370636|5.788455|8.963581|45.794557|17.580790|8.773606|0.221092|5.529222|4.876061|6.587577|5.098465|4.553970|7.150194|3.339759|3.806096|0.033768|0.033884|0.033499|0.039291|0.039724|0.047144|0.057077|0.038542|0.036940|0.032577|0.033659|0.032625|0.049982|0.051396|0.041965|0.041181|0.045178|0.067600|0.083839|0.500000| |1.250065|1.383979|2.481884|1.521888|1.688125|1.867628|1.818993|1.615126|1.493817|2.412943|1.312128|1.191950|2.741411|1.624965|1.481245|2.138980|3.771801|3.333264|2.947072|21.783196|4.540793|4.325774|4.428758|6.046360|8.939145|42.544262|17.528673|8.737164|0.174447|6.594726|5.265925|6.802276|6.552527|4.456514|6.042329|3.405114|3.881303|0.033968|0.034162|0.033385|0.039186|0.040136|0.047087|0.054027|0.037783|0.036612|0.032012|0.032785|0.032136|0.046510|0.048430|0.039799|0.038710|0.042019|0.065676|0.083726|0.304011|0.500000| |1.139389|1.246267|2.269034|1.384071|1.494606|1.641831|1.648748|1.502989|1.387105|2.277926|1.265856|1.158675|2.614758|1.564466|1.461636|1.793546|3.065248|2.791879|2.305617|15.590732|3.673253|3.308183|4.035881|5.577120|4.959907|24.290509|5.501449|8.741759|0.207437|17.591673|8.898398|6.888063|5.989131|6.903704|4.496957|3.628161|4.364470|0.031429|0.030908|0.030474|0.034665|0.036088|0.040987|0.049002|0.036968|0.035207|0.030803|0.031960|0.031642|0.043747|0.047239|0.039974|0.037790|0.041890|0.057842|0.073481|0.122965|0.138281|0.500000| |1.209584|1.330204|2.401626|1.465943|1.602990|1.760199|1.736284|1.564990|1.450791|2.362854|1.307797|1.189522|2.682858|1.588825|1.464215|1.961085|3.388433|3.063319|2.586608|17.634447|4.158074|3.858788|4.641613|6.743933|6.350031|29.419796|7.058223|8.813560|0.174612|17.535673|8.888453|6.475192|6.725075|5.136277|4.456585|3.914893|4.549488|0.033258|0.032944|0.032189|0.037112|0.038775|0.044387|0.051323|0.038003|0.036605|0.031738|0.032635|0.032393|0.044571|0.047914|0.039947|0.037946|0.041566|0.062527|0.081893|0.141379|0.198880|0.303731|0.500000| |1.318428|1.459326|2.672850|1.648871|1.797649|2.000331|2.006785|1.804483|1.651075|2.677994|1.495859|1.347459|3.111048|1.858263|1.704618|2.200540|3.689520|3.534555|2.924561|18.525825|4.994305|4.626690|6.697543|8.910163|5.809292|29.150623|4.855259|5.478130|0.142677|8.819462|17.541284|4.008156|3.728459|3.710850|3.171502|6.446734|7.327342|0.036503|0.035569|0.034987|0.040303|0.042670|0.049063|0.059886|0.044082|0.041809|0.035577|0.036944|0.036812|0.051386|0.057300|0.046889|0.043478|0.048479|0.074770|0.103987|0.108489|0.122195|0.209958|0.220104|0.500000| |1.275083|1.410616|2.605239|1.615735|1.751734|1.970091|2.016048|1.814938|1.639422|2.666731|1.479220|1.338696|3.174113|1.935986|1.789723|2.151380|3.578781|3.472412|2.882616|18.552882|4.845112|4.530783|6.312809|8.933807|6.126692|29.731536|5.290271|6.566948|0.202927|8.799569|17.509584|4.490327|3.734853|4.326332|3.590643|5.751960|6.533724|0.035192|0.034263|0.034103|0.039135|0.040804|0.047329|0.061217|0.043714|0.040878|0.035271|0.037043|0.036432|0.054005|0.059748|0.048808|0.045523|0.051716|0.073680|0.098398|0.123273|0.120848|0.219198|0.174185|0.304056|0.500000| |1.060922|1.153235|2.071019|1.249806|1.352478|1.463741|1.444635|1.320914|1.236877|2.037227|1.126599|1.037685|2.278497|1.344541|1.256696|1.610402|2.819887|2.443047|2.023105|14.319951|3.086263|2.700494|2.990175|3.815435|3.997604|21.444963|5.117814|6.623678|0.139739|6.877165|4.454967|8.704881|17.564904|6.959076|5.501275|2.638079|3.217949|0.029131|0.029040|0.028387|0.032285|0.033392|0.037595|0.042368|0.032513|0.031476|0.027843|0.028551|0.028295|0.037865|0.039936|0.034257|0.032921|0.035739|0.049476|0.060540|0.119628|0.155545|0.197115|0.221182|0.114064|0.108525|0.500000| |1.004380|1.088247|1.950303|1.173726|1.267378|1.367603|1.350064|1.238104|1.161690|1.919239|1.056062|0.977668|2.139671|1.263385|1.185596|1.502265|2.648908|2.254231|1.863662|13.530071|2.773753|2.386450|2.541647|3.129269|3.436831|19.540744|4.556048|5.421998|0.123578|4.677672|3.412315|8.798607|17.542865|6.940216|7.091794|2.238034|2.748152|0.027483|0.027545|0.026987|0.030615|0.031344|0.035273|0.039570|0.030348|0.029424|0.026322|0.026977|0.026596|0.035809|0.037211|0.032171|0.031251|0.033779|0.045313|0.053852|0.117617|0.138734|0.130526|0.136267|0.086136|0.087186|0.302680|0.500000| |1.099373|1.199939|2.144173|1.296470|1.415042|1.535024|1.501390|1.361450|1.274951|2.088584|1.145515|1.052558|2.331260|1.373165|1.273568|1.713274|3.033464|2.594830|2.189322|15.990989|3.291485|2.907072|3.072092|3.899966|4.522567|24.798697|6.451647|6.729243|0.137881|5.705986|4.057014|8.692341|17.553186|5.493588|6.804749|2.606254|3.127161|0.030011|0.030170|0.029422|0.033827|0.034729|0.039549|0.044051|0.032904|0.032012|0.028340|0.028953|0.028557|0.038999|0.040606|0.034484|0.033482|0.036133|0.051731|0.063077|0.153569|0.231568|0.140858|0.183248|0.100996|0.097862|0.301618|0.302703|0.500000| 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|1.021960|1.108789|2.014764|1.220415|1.307201|1.424080|1.434292|1.321355|1.225922|2.031097|1.125684|1.041367|2.314681|1.385728|1.311325|1.541579|2.656954|2.352041|1.921045|13.385998|2.942579|2.554616|2.899898|3.676952|3.640319|19.528688|4.412365|6.753453|0.177110|6.660384|4.642789|8.672126|6.884214|17.575737|5.516404|2.636239|3.263182|0.028137|0.027789|0.027495|0.030954|0.031876|0.035881|0.042485|0.032707|0.031189|0.027795|0.028852|0.028433|0.038965|0.041291|0.035757|0.034213|0.037748|0.048372|0.058323|0.110222|0.114070|0.246556|0.155915|0.113910|0.129118|0.206719|0.169788|0.140279|0.301571|0.303123|0.500000| 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