Version2.0 2020-07-16T21:30:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc3cn5CCS(=O)(=O)N(C)c4cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC2CC2)cc3c45 486483 CHEMBL523193 RHF 6-31G(d) (6D,7F) CCc3cn5CCS(=O)(=O)N(C)c4cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC2CC2)cc3c45 C01[X(C27H34N4O4S1)] 204 C1 612 CCc1cn2c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)N[C@H]([C@@H](CNC1CC1)O)Cc1ccccc1 CCc1cn2c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)N[C@H]([C@@H](CNC1CC1)O)Cc1ccccc1 CCc1cn2CC[S](=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc4ccccc4)[C@H](O)CNC5CC5 InChIKey=STVPNNWNBWFITL-UKILVPOCSA-N InChI=1S/C27H34N4O4S/c1-3-19-17-31-11-12-36(34,35)30(2)24-15-20(14-22(19)26(24)31)27(33)29-23(13-18-7-5-4-6-8-18)25(32)16-28-21-9-10-21/h4-8,14-15,17,21,23,25,28,32H,3,9-13,16H2,1-2H3,(H,29,33)/t23-,25+/m0/s1 InChI=1/C27H34N4O4S/c1-3-19-17-31-11-12-36(34,35)30(2)24-15-20(14-22(19)26(24)31)27(33)29-23(13-18-7-5-4-6-8-18)25(32)16-28-21-9-10-21/h4-8,14-15,17,21,23,25,28,32H,3,9-13,16H2,1-2H3,(H,29,33)/t23-,25+/m0/s1/f/h29H CCc3cn5CCS(=O)(=O)N(C)c4cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC2CC2)cc3c45 C01[X(C27H34N4O4S1)] 204 C01 612 CCc1cn2c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)N[C@H]([C@@H](CNC1CC1)O)Cc1ccccc1 CC[C]1=CN2[C]3[C]1[CH][C]([CH][C]3N(S(=O)(=O)CC2)C)C(=O)N[C@H]([C@@H](CNC1CC1)O)C[C]1[CH][CH][CH][CH][CH]1 CCC1=CN2CC[S](=O)(=O)N(C)[C]3[CH][C]([CH][C]1[C]23)C(=O)N[C@@H](C[C]4[CH][CH][CH][CH][CH]4)[C@H](O)CNC5CC5 InChIKey=STVPNNWNBWFITL-UKILVPOCSA-N InChI=1S/C27H34N4O4S/c1-3-19-17-31-11-12-36(34,35)30(2)24-15-20(14-22(19)26(24)31)27(33)29-23(13-18-7-5-4-6-8-18)25(32)16-28-21-9-10-21/h4-8,14-15,17,21,23,25,28,32H,3,9-13,16H2,1-2H3,(H,29,33)/t23-,25+/m0/s1 InChI=1/C27H34N4O4S/c1-3-19-17-31-11-12-36(34,35)30(2)24-15-20(14-22(19)26(24)31)27(33)29-23(13-18-7-5-4-6-8-18)25(32)16-28-21-9-10-21/h4-8,14-15,17,21,23,25,28,32H,3,9-13,16H2,1-2H3,(H,29,33)/t23-,25+/m0/s1/f/h29H 4104.7839977622 -1956.8949979 1-A 24811.3112 136 476 612 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.20257 -20.57504 -20.54836 -20.54743 -20.51700 -15.62175 -15.60800 -15.57543 -15.54496 -11.34491 -11.30465 -11.28598 -11.28239 -11.28003 -11.28001 -11.27423 -11.26710 -11.26436 -11.25336 -11.25145 -11.25098 -11.24235 -11.24119 -11.23900 -11.23859 -11.23810 -11.23745 -11.23289 -11.23051 -11.22940 -11.22845 -11.22699 -11.22661 -11.22060 -11.21771 -11.21687 -9.17553 -6.86157 -6.86137 -6.86033 -1.47391 -1.38738 -1.38085 -1.34565 -1.33230 -1.26519 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14749.7918 33351.2600 40986.5320 0.99974 -0.02297 -0.00128 0.02298 0.99970 0.00828 0.00109 -0.00831 0.99996 1 0.00587 0.00260 0.00211 0.12236 0.05411 0.04403 6.51 14.80 29.52 39.29 46.93 55.83 61.25 76.67 86.91 98.98 107.10 109.60 121.52 141.81 154.62 168.73 204.81 219.80 229.65 257.33 271.77 280.65 294.47 305.42 366.92 376.99 391.65 395.30 412.83 435.64 449.10 478.44 510.99 532.36 534.70 545.10 562.98 577.80 588.66 636.67 655.60 662.07 680.43 694.33 720.40 738.30 771.57 793.50 817.54 831.03 832.21 866.75 886.38 894.52 928.06 936.31 953.87 980.53 1021.40 1031.09 1067.97 1078.86 1119.29 1177.32 1193.04 1208.96 1220.42 1224.54 1237.22 1242.94 1246.37 1267.06 1292.64 1320.93 1328.69 1356.15 1360.93 1372.27 1387.56 1395.52 1441.17 1468.24 1483.31 1496.50 1498.44 1498.77 1515.24 1524.99 1538.95 1568.23 1577.28 1611.86 1615.71 1620.18 1628.37 1637.61 1651.71 1669.35 1692.96 1705.23 1708.42 1713.81 1716.68 1743.25 1752.23 1762.90 1776.76 1788.24 1793.95 1812.07 1817.30 1834.80 1846.74 1869.56 1874.83 1879.58 1891.08 1894.46 1898.43 1902.71 1910.12 1916.11 1922.83 1940.92 1964.46 1974.43 2007.18 2024.02 2039.58 2053.41 2067.26 2091.89 2096.24 2116.92 2135.35 2138.23 2159.50 2163.83 2180.35 2197.55 2212.10 2223.98 2236.14 2249.09 2252.43 2268.76 2285.26 2302.55 2305.36 2307.94 2332.35 2348.63 2357.24 2359.34 2360.71 2362.33 2371.59 2376.28 2387.90 2391.78 2398.83 2406.20 2406.74 2452.14 2528.05 2570.19 2575.40 2605.03 2608.39 2777.01 4464.91 4599.84 4611.54 4612.43 4649.72 4653.41 4661.15 4665.36 4667.72 4689.00 4699.66 4700.97 4715.39 4731.60 4753.52 4763.40 4771.73 4773.71 4777.11 4795.63 4812.93 4821.53 4837.96 4845.90 4853.50 4872.97 4873.82 4880.21 4900.45 4925.89 4932.24 5425.16 5580.18 5891.80 0.629608 0.662184 0.663128 0.559132 -1956.265390 -1956.232814 -1956.231870 -1956.335866 3.488043D-04 MUNgauss RevisionA2.0 retrievium 16-Jul-2020 DUDE CCc3cn5CCS(=O)(=O)N(C)c4cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC2CC2)cc3c45 486483 CHEMBL523193 RHF 6-31G(d) (6D,10F) C1 510.230078 |X|Y|Z| 127.752986 46.654825 79.459243 77.947827 29 6 7 16 24 4 1 |36.858105| |12.421440|36.858105| |7.497741|12.669537|36.858105| |5.380283|7.457678|14.137068|36.858105| |4.155016|5.129773|8.448125|13.787735|53.358707| |3.210272|3.786561|5.239873|7.578907|17.911583|36.858105| |2.740322|3.244007|4.266938|5.353347|10.547787|12.460785|36.858105| |2.451481|2.778987|3.543904|4.014181|7.562107|6.797190|10.625174|388.023441| |2.299889|2.626384|3.250859|3.499036|6.075882|4.903509|7.311129|94.686435|73.516695| |2.155821|2.379587|2.926588|3.328923|5.919863|5.559816|7.273293|94.537981|13.713514|73.516695| |2.787249|3.081261|4.049199|4.424433|8.722064|6.566253|7.059028|82.055989|13.223077|13.755100|53.358707| |2.456060|2.604242|3.238480|3.426304|6.088115|4.593166|4.739352|51.044899|9.855535|11.958625|17.647945|36.858105| |3.357285|3.785335|5.250101|5.305141|10.360404|6.117561|6.073810|51.205347|10.864712|8.956035|18.154718|7.663424|36.858105| |3.236657|3.537302|4.544963|4.198383|7.033207|4.267328|4.350938|37.026467|9.108457|7.073909|10.527709|6.377304|13.887047|36.858105| |3.754656|4.063621|5.006009|4.184067|6.319078|3.666055|3.611735|27.758521|6.991801|5.555419|6.914783|4.396487|7.861336|13.544740|36.858105| |3.182836|3.296856|3.712540|3.174063|4.627519|2.855117|2.863796|22.370050|5.817951|4.689504|5.253906|3.643001|5.068506|7.693270|12.699259|36.858105| |2.734087|2.780543|3.117424|2.773651|4.113639|2.631249|2.659219|21.531584|5.591995|4.634672|5.082801|3.765296|4.571889|6.775045|8.077670|15.830559|73.516695| |3.209813|3.316287|3.517146|2.942396|4.100714|2.540105|2.545658|19.123306|5.027121|4.061368|4.259183|2.920024|3.958135|5.230577|7.860105|14.037326|15.044817|53.358707| |2.677660|2.708449|2.790943|2.406865|3.337852|2.134649|2.153416|16.260827|4.300518|3.546231|3.528426|2.494689|3.098144|3.893651|5.018935|7.741589|12.102049|17.882655|36.858105| |2.468363|2.473206|2.590121|2.277765|3.212611|2.080924|2.103335|16.231077|4.278986|3.577244|3.558408|2.585999|3.067918|3.908660|4.790376|7.654532|14.565448|12.727190|17.649442|0.500000| |2.732035|2.664702|2.633503|2.255110|3.048136|1.947973|1.927458|14.224013|3.687414|3.149951|3.070401|2.177130|2.658322|3.178740|4.015245|5.345319|8.555503|10.551416|12.363817|0.245867|36.858105| |2.964536|2.761535|2.716395|2.317196|3.119759|1.979413|1.916964|14.113864|3.573138|3.152387|3.111990|2.233463|2.693994|3.190499|4.021155|5.139126|8.456090|8.719714|7.437638|0.189524|12.578473|36.858105| |3.564424|3.168858|3.003963|2.507398|3.288976|2.055420|1.951678|14.042352|3.502120|3.134946|3.101513|2.193357|2.704973|3.102793|3.935923|4.541071|7.159279|7.390938|5.353800|0.133137|7.537002|13.720403|36.858105| |3.607597|3.052410|2.892443|2.452894|3.211260|2.017034|1.883296|13.517796|3.311462|3.058521|3.009865|2.157011|2.582632|2.888560|3.513428|3.842664|6.316914|5.672414|4.015449|0.106457|5.003725|7.887128|13.738407|36.858105| |3.014541|2.610145|2.555823|2.232380|2.989985|1.912047|1.792565|13.100731|3.198367|3.001998|2.934338|2.159088|2.466405|2.770283|3.246232|3.616350|6.310991|5.075160|3.711296|0.104418|4.419595|6.813638|7.935968|13.767306|36.858105| |2.625958|2.368037|2.371615|2.094947|2.861175|1.850347|1.765272|13.157365|3.251422|3.017188|2.943495|2.197952|2.458311|2.832651|3.294269|3.899012|7.151952|5.450356|4.234338|0.125933|5.009489|7.891448|6.900034|7.963200|13.741186|36.858105| |2.610073|2.421735|2.432152|2.128714|2.915573|1.879697|1.820941|13.635874|3.430210|3.089688|3.028072|2.235538|2.562274|3.032176|3.632785|4.629546|8.438046|6.911064|5.898060|0.178441|7.543268|13.693576|7.981941|6.894758|7.932471|13.767089|36.858105| |2.367390|2.464263|2.534245|2.226253|3.089712|2.013969|2.079217|15.671953|4.260057|3.418333|3.275687|2.294928|2.811950|3.427149|4.142309|5.581452|9.020803|10.680605|12.394201|0.247838|7.392514|4.841472|3.905367|3.094287|2.876355|3.193481|4.106252|36.858105| |2.297715|2.431167|2.563919|2.282668|3.227949|2.121209|2.229640|17.132028|4.759423|3.704917|3.557146|2.488770|3.043440|3.773333|4.417736|5.926754|9.816049|10.009537|8.969696|0.218519|5.477111|4.069205|3.397375|2.795112|2.639000|2.917829|3.621289|17.621868|0.500000| |2.501740|2.657428|2.670740|2.318512|3.149876|2.039931|2.105133|15.412323|4.194831|3.340152|3.163240|2.162736|2.732083|3.215606|3.918785|4.754350|7.244699|9.146093|7.829481|0.158437|6.271422|4.302081|3.771094|2.973789|2.671486|2.839905|3.506595|13.449299|0.266031|73.516695| |2.021745|2.074393|2.111026|1.890401|2.619588|1.740562|1.796466|13.562870|3.670068|3.022533|2.797704|1.998351|2.325924|2.750453|3.158950|4.027593|7.034598|6.791542|7.376723|0.188764|6.049917|4.188481|3.360108|2.749303|2.626565|2.968554|3.782196|12.498533|0.249791|13.990385|36.858105| |1.833837|1.909812|1.951348|1.773791|2.466255|1.662713|1.741244|13.149267|3.613364|2.941440|2.648129|1.884910|2.164595|2.508284|2.785083|3.363809|5.889018|5.358110|4.986145|0.131000|4.207441|3.195246|2.711055|2.290709|2.194531|2.427318|2.943768|7.831918|0.207266|11.622040|13.164440|53.358707| |1.629877|1.681445|1.706352|1.566640|2.172226|1.479504|1.543675|11.625307|3.167160|2.639578|2.326808|1.673058|1.870593|2.127820|2.320075|2.732933|4.872272|4.217658|3.816290|0.103869|3.482436|2.774594|2.383570|2.058522|1.997714|2.210424|2.627016|5.089286|0.134313|8.058196|7.872899|18.137418|36.858105| |1.480150|1.536491|1.569096|1.459820|2.035053|1.404106|1.478453|11.177231|3.067037|2.557651|2.203238|1.589124|1.743376|1.956304|2.081693|2.387347|4.290243|3.559079|3.052226|0.084354|2.768424|2.303304|2.025064|1.785957|1.744263|1.911756|2.212939|3.876210|0.109044|6.360875|5.075410|10.371063|12.759312|36.858105| |1.505486|1.544994|1.582325|1.468131|2.054514|1.412616|1.476702|11.265486|3.063956|2.585581|2.254963|1.647038|1.786399|2.028753|2.164797|2.543154|4.682112|3.771278|3.348671|0.096023|3.035743|2.529375|2.170362|1.915321|1.898035|2.123490|2.486628|4.126315|0.114285|6.302551|5.806235|10.355386|12.733386|12.703341|36.858105| |5.061447|5.723982|7.284347|5.279274|7.290971|3.908831|3.659043|25.651115|6.281620|5.175124|6.105650|3.742138|6.750536|7.877155|13.816121|7.540533|9.493729|8.951143|4.395180|0.110963|3.845762|3.926345|4.161664|3.730765|3.275110|3.157088|3.404883|3.701837|0.104786|6.675284|2.872111|3.470218|2.150772|1.929180|1.980634|36.858105| |5.658175|7.207281|13.162764|8.552410|11.549803|5.235882|4.550861|29.288397|6.791305|5.797059|6.943505|3.953868|7.787357|6.866296|7.959562|5.022106|7.174012|6.067696|3.331683|0.086227|3.012661|3.093959|3.326974|3.134912|2.801473|2.658208|2.772114|2.956859|0.084475|5.410320|2.396226|2.980133|1.884640|1.722672|1.751238|13.648967|36.858105| |4.229289|5.080908|8.334660|8.594030|18.969135|7.604896|6.372674|40.905280|8.694599|7.586312|10.635681|5.215704|13.608984|8.036195|6.918042|4.480857|6.854847|5.142503|2.942111|0.078633|2.614541|2.671083|2.782843|2.670905|2.481698|2.401583|2.481599|2.669966|0.078198|4.774188|2.208835|2.793901|1.781348|1.653220|1.680629|7.900100|13.623867|36.858105| |17.559596|8.781148|6.776797|5.503100|5.780637|3.328814|2.753535|17.409779|3.999888|3.886920|3.806559|2.484145|3.282267|3.081184|3.426846|2.899673|4.541341|3.873472|2.408920|0.062859|2.441113|2.671253|3.150931|3.296707|2.855795|2.485404|2.421917|2.137348|0.058116|3.952221|1.849723|2.297056|1.512016|1.383262|1.410422|4.395504|5.118526|4.129867|0.500000| |17.542570|8.777978|5.482229|4.268782|4.635426|2.752662|2.406734|15.406773|3.661800|3.426770|3.284075|2.158080|2.840616|2.781688|3.212805|2.841930|4.388802|4.009394|2.531053|0.064476|2.647686|2.861320|3.487178|3.534185|2.913317|2.518661|2.502541|2.262491|0.060319|4.299136|1.958073|2.422512|1.593674|1.445502|1.465979|4.134919|4.386443|3.440500|0.300991|0.500000| |17.558234|8.742379|6.777794|4.824898|5.471021|3.097405|2.686048|17.664269|4.165398|3.868905|3.945336|2.588706|3.568567|3.571717|4.325391|3.692656|5.559946|5.073092|3.052682|0.077970|3.143764|3.518266|4.378683|4.468118|3.612825|3.084465|3.055676|2.613330|0.069878|4.843231|2.207636|2.680065|1.739392|1.565163|1.606073|5.966818|6.043163|4.370453|0.302156|0.301340|0.500000| |8.844639|17.519628|8.951414|5.783444|6.006722|3.377157|3.045796|18.934202|4.611365|4.026910|3.961970|2.474215|3.600175|3.501356|4.170662|3.470232|5.101003|4.954715|2.955473|0.073291|2.916200|2.945749|3.377653|3.129256|2.631117|2.410551|2.519305|2.718197|0.073822|5.364075|2.258556|2.826512|1.812788|1.645444|1.645137|5.922660|6.599928|4.611244|0.173067|0.213656|0.209282|0.500000| |8.857576|17.541900|8.978062|7.087974|6.443468|3.690790|3.149592|18.661441|4.397392|4.055266|3.833524|2.389977|3.319129|3.046925|3.361381|2.797396|4.294445|3.830404|2.365603|0.060477|2.334682|2.399322|2.716591|2.642486|2.298237|2.096254|2.133179|2.197163|0.060429|4.224825|1.882028|2.389885|1.561002|1.438970|1.438274|4.397015|5.470247|4.349084|0.211699|0.212867|0.172816|0.304607|0.500000| |4.874614|6.452964|8.714063|17.775981|12.192808|6.879217|4.869326|25.369704|5.543845|5.484120|5.095904|3.005420|4.184582|3.415918|3.387400|2.695435|4.265958|3.457155|2.132545|0.056228|2.024104|2.078433|2.251876|2.223067|2.033187|1.902737|1.920887|1.994779|0.056586|3.707071|1.720727|2.214426|1.451016|1.359914|1.362708|4.100123|5.803868|5.909752|0.144279|0.112604|0.116703|0.140237|0.197675|0.500000| |3.149314|3.744857|4.922253|7.410507|12.654569|17.613677|8.928325|36.570160|7.193974|8.077340|6.517811|3.663771|4.605997|3.490085|3.139729|2.519694|4.127812|3.127777|1.957910|0.052743|1.811996|1.839587|1.924747|1.895466|1.789002|1.719890|1.741630|1.860905|0.054010|3.385891|1.622501|2.119254|1.394465|1.326812|1.328658|3.420281|4.493676|5.716326|0.091713|0.076077|0.082113|0.091921|0.106114|0.221756|0.500000| |2.985944|3.348860|4.442925|5.932558|12.363506|17.608103|8.805538|46.928879|8.056228|10.841903|9.419695|5.151394|5.786858|4.096373|3.449872|2.738313|4.588301|3.276813|2.045330|0.056079|1.873411|1.925114|1.992766|1.981465|1.904929|1.845731|1.854677|1.913800|0.055908|3.399211|1.669229|2.163715|1.422997|1.352322|1.369504|3.569930|4.560136|6.452292|0.087701|0.071459|0.081162|0.082882|0.090101|0.153545|0.303082|0.500000| |2.843801|3.482985|4.580011|5.544875|10.003776|8.797315|17.629904|57.524654|13.012732|9.803061|8.085831|4.120014|5.868249|4.417592|3.799198|2.997602|4.845393|3.687685|2.273394|0.060884|2.023321|1.984481|2.019995|1.922325|1.809617|1.783490|1.860390|2.223126|0.066447|4.064986|1.901812|2.521093|1.629780|1.558732|1.544930|3.921019|4.875802|6.439837|0.077598|0.069654|0.077111|0.092963|0.093890|0.137668|0.203905|0.173580|0.500000| |2.425660|2.825352|3.535067|4.367365|7.682263|8.789962|17.590065|58.957062|11.134713|12.965354|7.364002|4.074775|4.571596|3.528411|3.003908|2.475070|4.144969|3.039733|1.928778|0.052509|1.741204|1.729125|1.757221|1.702985|1.629374|1.606616|1.651693|1.880350|0.055866|3.387495|1.648760|2.193945|1.442595|1.392946|1.386189|3.032069|3.638455|4.698508|0.068160|0.060185|0.065592|0.074037|0.077855|0.117471|0.222281|0.203016|0.300761|0.500000| |2.252087|2.379300|2.910929|3.158472|5.528136|4.466064|4.606895|48.627508|8.997413|14.110157|12.432202|17.684824|5.673669|4.722466|3.542754|3.021001|5.537534|3.412690|2.186578|0.062788|1.939561|1.990764|1.965737|1.949449|1.957839|1.983092|1.999557|2.035217|0.060903|3.436185|1.800335|2.331833|1.537694|1.472222|1.520428|3.149310|3.386795|4.368972|0.064001|0.055458|0.065016|0.062459|0.061733|0.079210|0.101089|0.146033|0.107543|0.115753|0.500000| |2.613874|2.700868|3.341017|3.461149|5.993755|4.270311|4.091532|38.173731|7.757177|8.940170|12.557194|17.638961|7.301949|6.484994|4.642608|3.852920|7.156542|4.143175|2.590296|0.075085|2.284629|2.396464|2.366301|2.361781|2.388359|2.420723|2.424582|2.323335|0.069030|3.866857|2.021949|2.557871|1.670348|1.572351|1.643190|3.952777|4.112434|5.236522|0.074024|0.063351|0.077704|0.070640|0.068082|0.083808|0.096335|0.134212|0.101043|0.098012|0.300094|0.500000| |2.270729|2.405478|2.921793|3.010607|5.136328|3.813768|4.122616|44.768336|10.035410|10.407211|12.159192|17.578256|6.506623|6.322993|4.357751|3.799666|7.250477|4.101685|2.609612|0.076262|2.235360|2.262861|2.178300|2.117606|2.133103|2.212852|2.281225|2.423626|0.074170|3.994811|2.117448|2.730774|1.776309|1.693968|1.763103|3.555056|3.580217|4.464808|0.062939|0.056079|0.066881|0.064687|0.061280|0.073833|0.087325|0.113412|0.104097|0.100649|0.300263|0.299970|0.500000| |2.761195|2.954616|3.620065|3.427609|5.630596|3.669235|3.863930|35.261778|9.046397|7.039218|9.562333|6.861719|8.958070|17.772485|8.934571|7.278666|13.555461|6.657926|3.865932|0.112566|3.092422|3.076192|2.899276|2.705423|2.662291|2.797891|3.011851|3.446094|0.107962|5.544871|2.816422|3.514346|2.195658|2.031914|2.127997|5.649857|4.953773|5.677902|0.073643|0.067407|0.084206|0.081806|0.072262|0.080441|0.084895|0.100562|0.107229|0.090192|0.137911|0.188294|0.217283|0.500000| |3.465622|3.704630|3.866630|3.157622|4.304821|2.633267|2.644258|19.311061|5.107426|4.057293|4.207323|2.798189|3.950589|4.975635|7.465330|9.409668|10.926009|26.058283|9.124619|0.181872|6.674257|5.451811|5.068880|3.899506|3.377694|3.483279|4.239367|7.261766|0.188619|13.545354|4.639345|5.210816|3.008657|2.558809|2.637400|7.226372|4.848018|3.940179|0.083413|0.088606|0.110361|0.117408|0.086533|0.075425|0.066665|0.068117|0.079694|0.064234|0.067307|0.079926|0.079157|0.123958|0.500000| |2.896979|2.845872|2.738081|2.315715|3.072946|1.953112|1.928707|13.965161|3.623832|3.080598|2.976804|2.075070|2.587120|3.024004|3.836474|4.749379|7.281557|9.482140|8.820423|0.173818|17.531580|8.949721|7.339659|4.791176|3.991441|4.200497|5.615653|6.792565|0.140524|12.454274|5.473507|5.510236|3.356259|2.686977|2.849018|3.877919|3.066402|2.608472|0.070605|0.079229|0.091888|0.088668|0.069226|0.057932|0.050871|0.051690|0.056754|0.048437|0.051630|0.060062|0.058643|0.080030|0.193016|0.500000| |2.377387|2.319526|2.290599|1.999583|2.711982|1.761960|1.753551|12.993840|3.380405|2.910934|2.769602|1.986551|2.344263|2.760453|3.332002|4.298567|7.308064|7.663000|8.847023|0.212652|17.542285|8.937824|5.830612|4.285994|3.990940|4.671675|6.921220|6.821766|0.140465|9.990994|6.827473|6.174315|3.887454|2.995828|3.374036|3.167079|2.576904|2.289499|0.059825|0.064651|0.074569|0.069914|0.057444|0.050428|0.045760|0.047294|0.050944|0.044423|0.049639|0.057618|0.057006|0.076033|0.138826|0.303536|0.500000| |3.947258|3.529174|3.224512|2.637733|3.388435|2.100211|1.994152|14.101644|3.531549|3.126224|3.074495|2.132520|2.700974|3.051070|3.910673|4.328904|6.568670|7.337236|5.106516|0.120482|6.992327|8.918319|17.694818|8.932707|5.650390|4.964299|5.660625|3.935207|0.094528|7.195012|3.322926|3.708398|2.379249|2.023821|2.129779|4.357357|3.493932|2.846133|0.093547|0.109702|0.134186|0.107993|0.083376|0.065865|0.055014|0.055876|0.057951|0.049826|0.053237|0.063177|0.058556|0.077875|0.151658|0.225253|0.149435|0.500000| |4.051351|3.261438|2.993838|2.529066|3.243211|2.029818|1.870973|13.204884|3.207470|2.996585|2.922532|2.075162|2.496884|2.716065|3.254725|3.385167|5.508937|4.931602|3.405272|0.089437|4.085831|5.627560|8.919545|17.708677|8.915380|5.652936|4.962642|2.739853|0.069586|4.810422|2.441464|2.832187|1.881296|1.650386|1.749032|3.590663|3.130420|2.645225|0.102930|0.113065|0.140232|0.091694|0.078671|0.064243|0.053484|0.055319|0.052990|0.047107|0.052518|0.063004|0.055947|0.069814|0.097633|0.113987|0.098990|0.216025|0.500000| |2.885622|2.467128|2.415967|2.143302|2.868252|1.850476|1.720817|12.536163|3.030971|2.904240|2.803036|2.078998|2.318211|2.547493|2.898023|3.119369|5.504074|4.268418|3.085530|0.087326|3.537175|4.920995|5.641560|8.908640|17.715893|8.901531|5.641831|2.481369|0.064228|4.136605|2.292715|2.662753|1.800583|1.593028|1.726003|2.941078|2.601857|2.341613|0.077834|0.077745|0.094450|0.067937|0.061079|0.054752|0.048323|0.051649|0.047877|0.043683|0.052911|0.064200|0.056627|0.068146|0.080223|0.090802|0.090801|0.124206|0.214573|0.500000| |2.341862|2.129863|2.155203|1.938657|2.673814|1.754056|1.678478|12.625041|3.112534|2.928929|2.817388|2.141996|2.306338|2.635339|2.959359|3.455161|6.576649|4.677122|3.648640|0.111696|4.090625|5.629569|4.965820|5.654777|8.909064|17.714458|8.933964|2.864690|0.074085|4.500292|2.728960|3.091227|2.099708|1.837638|2.056665|2.792353|2.405491|2.225133|0.062546|0.062344|0.074992|0.059714|0.052980|0.049225|0.045300|0.049014|0.046775|0.042686|0.054080|0.065676|0.060199|0.073610|0.083522|0.096547|0.110293|0.107712|0.124158|0.214524|0.500000| |2.321142|2.199125|2.236198|1.985995|2.752868|1.798530|1.765236|13.397391|3.404603|3.048787|2.951741|2.204481|2.463242|2.936125|3.423928|4.472123|8.641724|6.558850|6.043961|0.203206|6.997048|8.901521|5.659845|4.961847|5.649570|8.947256|17.698189|4.327092|0.106683|6.257439|4.178111|4.350631|2.872463|2.401095|2.770679|3.108899|2.558310|2.340047|0.060248|0.061762|0.074018|0.063584|0.054344|0.049937|0.046211|0.049392|0.050068|0.044667|0.054850|0.065851|0.063458|0.083193|0.110361|0.141180|0.199637|0.124202|0.107663|0.124245|0.216476|0.500000| |2.470008|2.579750|2.531093|2.193077|2.940497|1.906544|1.945220|14.097297|3.785160|3.087678|2.894094|1.990115|2.478890|2.866153|3.473696|4.137563|6.415331|7.820432|6.977512|0.143576|6.739008|4.478144|3.954417|3.071465|2.726354|2.879526|3.566335|9.761780|0.189906|35.725305|7.488202|8.217780|4.491747|3.473408|3.453542|3.427735|2.818873|2.471087|0.060790|0.067381|0.074697|0.081589|0.064391|0.055263|0.049842|0.049815|0.058349|0.049195|0.049784|0.055968|0.057015|0.076934|0.177441|0.231053|0.174089|0.120114|0.077708|0.065733|0.070822|0.098382|0.500000| |1.936365|1.966567|2.019050|1.822337|2.548246|1.702549|1.753751|13.418563|3.611427|3.015301|2.791678|2.029970|2.298150|2.735984|3.088441|4.007616|7.410973|6.385468|6.947165|0.209024|5.678839|4.197164|3.281173|2.741846|2.697428|3.141088|4.035757|8.873103|0.210154|10.116281|17.555659|12.544855|7.059582|4.856454|6.241364|2.750046|2.303448|2.151605|0.049693|0.051861|0.058962|0.058649|0.049587|0.046094|0.043926|0.045760|0.051054|0.044780|0.050789|0.057345|0.060228|0.079394|0.115704|0.133270|0.183712|0.087279|0.066954|0.065488|0.081647|0.130773|0.150311|0.500000| |2.015977|2.043942|2.041765|1.820030|2.489961|1.650365|1.685527|12.552183|3.355332|2.813014|2.589968|1.847332|2.151255|2.502989|2.894701|3.598808|6.192946|6.146429|6.551276|0.161681|6.560517|4.410886|3.539861|2.861493|2.706327|3.039969|3.892131|8.829009|0.174797|12.703397|17.389586|12.231611|7.112409|4.584456|5.157884|2.713708|2.279443|2.078226|0.051068|0.054885|0.061167|0.062034|0.051635|0.046279|0.043031|0.043991|0.049479|0.043100|0.046517|0.052247|0.053767|0.070153|0.119246|0.171290|0.230108|0.097974|0.070526|0.065338|0.076926|0.117556|0.222619|0.302514|0.500000| |1.881621|1.981333|2.012034|1.823656|2.517742|1.693999|1.779262|13.271389|3.663490|2.951792|2.647286|1.858527|2.173890|2.492759|2.782884|3.274643|5.559082|5.292306|4.685906|0.117474|4.024483|3.060610|2.666489|2.244979|2.117375|2.297721|2.754438|7.444283|0.196751|13.433018|9.419031|25.901713|9.453959|6.629992|5.778985|2.595782|2.240780|2.086389|0.047826|0.050902|0.055749|0.060454|0.050741|0.046529|0.044242|0.044655|0.053048|0.045759|0.046995|0.051244|0.054574|0.070215|0.109494|0.112829|0.116672|0.076050|0.057248|0.052566|0.059297|0.080974|0.192145|0.182449|0.212682|0.500000| |1.609034|1.648034|1.652447|1.512476|2.078610|1.412395|1.461820|10.896578|2.940154|2.481656|2.185039|1.568531|1.758968|1.984592|2.179882|2.545343|4.493998|3.971603|3.595874|0.096303|3.479010|2.775711|2.399979|2.070220|2.000174|2.201447|2.609883|4.587385|0.115443|7.617341|6.887530|12.071941|17.582526|8.655186|8.660771|2.054936|1.806258|1.694130|0.041397|0.044053|0.047657|0.049455|0.042596|0.039065|0.037159|0.037744|0.042825|0.038005|0.040180|0.043720|0.045877|0.056311|0.079339|0.094793|0.110651|0.066857|0.052676|0.050082|0.057909|0.078602|0.124584|0.168876|0.205673|0.211106|0.500000| |1.389478|1.439118|1.460386|1.363299|1.891339|1.309737|1.375255|10.319605|2.816160|2.375211|2.024502|1.459596|1.593899|1.767976|1.875763|2.118827|3.789849|3.148793|2.660067|0.073108|2.482031|2.098273|1.869302|1.661940|1.622583|1.764711|2.018242|3.268333|0.090521|5.542484|4.127026|7.629739|8.595996|17.707435|8.567704|1.759579|1.586609|1.522854|0.036148|0.037892|0.040614|0.042751|0.037656|0.035481|0.034562|0.035063|0.040221|0.036170|0.037792|0.040137|0.042978|0.050708|0.063380|0.067706|0.074685|0.052079|0.042942|0.041408|0.047251|0.060333|0.085844|0.109600|0.109352|0.145951|0.212801|0.500000| |1.493281|1.564502|1.610809|1.505432|2.110767|1.462584|1.555195|11.817805|3.281763|2.696317|2.308571|1.659440|1.820438|2.040964|2.149735|2.444129|4.385677|3.599118|3.011173|0.083135|2.658641|2.225172|1.971105|1.742553|1.698203|1.851671|2.132100|3.862080|0.113756|6.392102|4.721453|9.746384|8.660246|17.723441|8.613423|1.979679|1.775131|1.716315|0.038797|0.040322|0.043726|0.046523|0.040745|0.038911|0.038318|0.039031|0.045704|0.040736|0.042685|0.045247|0.049382|0.059136|0.072300|0.071892|0.077966|0.054905|0.044887|0.043177|0.049421|0.063853|0.094135|0.124518|0.114103|0.183570|0.172007|0.292026|0.500000| |1.537364|1.579614|1.634941|1.520794|2.147437|1.478808|1.551974|11.994168|3.275930|2.751708|2.410635|1.774312|1.904546|2.184392|2.309507|2.744580|5.163283|3.989054|3.533258|0.104607|3.086335|2.595026|2.208834|1.956060|1.954098|2.205646|2.586882|4.302161|0.124298|6.295742|5.808599|9.728598|8.649026|8.617662|17.720581|2.075116|1.828225|1.768453|0.040116|0.041294|0.045701|0.046512|0.040714|0.039055|0.038417|0.039937|0.044969|0.040378|0.045325|0.049092|0.053276|0.064567|0.076258|0.078930|0.093761|0.059685|0.049405|0.049341|0.059665|0.081029|0.093300|0.187382|0.134481|0.148852|0.172106|0.171057|0.212542|0.500000| |1.425088|1.450807|1.478341|1.374660|1.917721|1.321368|1.372846|10.436988|2.812119|2.413138|2.093042|1.536931|1.650042|1.859863|1.980320|2.308222|4.265534|3.403182|3.004485|0.086672|2.824024|2.404284|2.071147|1.846698|1.844713|2.067780|2.397074|3.525109|0.095617|5.476747|4.804614|7.617198|8.578730|8.567958|17.706454|1.826239|1.624477|1.559231|0.037218|0.038702|0.042199|0.042735|0.037626|0.035588|0.034632|0.035721|0.039705|0.035912|0.039610|0.042785|0.045505|0.054052|0.066019|0.073558|0.088425|0.056157|0.046901|0.046833|0.056106|0.074425|0.085173|0.146220|0.127134|0.126320|0.212857|0.209587|0.171037|0.291899|0.500000| 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