Version2.1 2020-12-15T09:35:40Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 09-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3c5cc(ccc5N2)C(=O)NCCSCc6ccco6 C15228679 RHF 6-31G(d) (6D,7F) c1ccc(cc1)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3c5cc(ccc5N2)C(=O)NCCSCc6ccco6 C01[X(C28H30N2O2S1)] 183 C1 559 O=C(c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H]([C@@H]1[C@H](N2)c1ccccc1)C3)NCCSCc1ccco1 O=C(c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H]([C@@H]1[C@H](N2)c1ccccc1)C3)NCCSCc1ccco1 O=C(NCCSCc1occc1)c2ccc3N[C@@H]([C@H]4[C@@H]5CC[C@@H](C5)[C@@H]4c3c2)c6ccccc6 InChIKey=JLLKLVVDFGXQDI-LBANBBHTSA-N InChI=1S/C28H30N2O2S/c31-28(29-12-14-33-17-22-7-4-13-32-22)21-10-11-24-23(16-21)25-19-8-9-20(15-19)26(25)27(30-24)18-5-2-1-3-6-18/h1-7,10-11,13,16,19-20,25-27,30H,8-9,12,14-15,17H2,(H,29,31)/t19-,20+,25+,26-,27+/m0/s1 InChI=1/C28H30N2O2S/c31-28(29-12-14-33-17-22-7-4-13-32-22)21-10-11-24-23(16-21)25-19-8-9-20(15-19)26(25)27(30-24)18-5-2-1-3-6-18/h1-7,10-11,13,16,19-20,25-27,30H,8-9,12,14-15,17H2,(H,29,31)/t19-,20+,25+,26-,27+/m0/s1/f/h29H c1ccc(cc1)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3c5cc(ccc5N2)C(=O)NCCSCc6ccco6 C01[X(C28H30N2O2S1)] 183 C01 559 O=C(c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H]([C@@H]1[C@H](N2)c1ccccc1)C3)NCCSCc1ccco1 O=C([C]1[CH][CH][C]2[C]([CH]1)[C@H]1[C@H]3CC[C@@H]([C@@H]1[C@H](N2)[C]1[CH][CH][CH][CH][CH]1)C3)NCCSCC1=[CH][CH]=CO1 O=C(NCCSCc1occc1)[C]2[CH][CH][C]3N[C@H]([C]4[CH][CH][CH][CH][CH]4)[C@H]5[C@@H]6CC[C@@H](C6)[C@@H]5[C]3[CH]2 InChIKey=JLLKLVVDFGXQDI-LBANBBHTSA-N InChI=1S/C28H30N2O2S/c31-28(29-12-14-33-17-22-7-4-13-32-22)21-10-11-24-23(16-21)25-19-8-9-20(15-19)26(25)27(30-24)18-5-2-1-3-6-18/h1-7,10-11,13,16,19-20,25-27,30H,8-9,12,14-15,17H2,(H,29,31)/t19-,20+,25+,26-,27+/m0/s1 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|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|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| 10.0331 11.8693 16.7478 29.0520 35.1220 43.5299 50.7338 60.7862 65.1465 73.4030 82.2296 95.4073 111.7382 117.5071 154.1862 171.7995 182.8247 204.5410 229.5903 243.0188 272.6061 281.3322 290.5564 326.5784 331.4086 343.2956 362.9992 366.6189 409.8619 429.7572 440.6874 454.3149 457.4136 467.5676 498.3765 513.2345 541.9624 554.6253 568.9357 598.0703 635.4877 659.5605 660.2135 676.0784 686.0135 692.4618 715.7025 722.7453 781.9941 782.7499 804.7357 807.4984 825.0117 832.1913 845.1995 855.4779 858.0143 858.7945 872.4695 879.5076 892.8014 915.8354 925.9877 936.1839 939.2394 940.8164 959.3280 961.7540 969.3995 976.8572 987.3037 991.6199 1004.8101 1031.5926 1033.6685 1046.4805 1047.0260 1057.5613 1065.4041 1076.0636 1084.8165 1089.4890 1104.1826 1104.6874 1104.7438 1121.2317 1127.4123 1129.6796 1132.8949 1140.1491 1154.3776 1164.7128 1184.8239 1188.3229 1200.1426 1221.4471 1224.3244 1245.7019 1256.7687 1257.7135 1264.0123 1279.3880 1290.0530 1296.6478 1302.9941 1304.9456 1318.3047 1331.3318 1334.6060 1341.2899 1343.7852 1352.6491 1368.1728 1375.9489 1383.4685 1393.9719 1399.3960 1404.3590 1421.7306 1429.6557 1437.9516 1441.6964 1450.0706 1459.5538 1464.0739 1470.2006 1471.6403 1484.3344 1507.5377 1524.8061 1549.3401 1556.3250 1562.4578 1574.6366 1586.1786 1621.8260 1624.0575 1635.9874 1643.4850 1644.3491 1647.8002 1656.4374 1662.8447 1671.3060 1676.6624 1701.4586 1702.4142 1775.6992 1785.6462 1808.0515 1809.4288 1811.5796 1927.0102 3159.8777 3192.3500 3217.7734 3222.5013 3225.7720 3235.8611 3237.6124 3244.7233 3245.4528 3255.1418 3264.5718 3268.7330 3276.0721 3279.0350 3293.0432 3298.6567 3313.2347 3348.1645 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14.44 17.08 24.10 41.80 50.53 62.63 72.99 87.46 93.73 105.61 118.31 137.27 160.77 169.07 221.84 247.18 263.04 294.29 330.33 349.65 392.22 404.77 418.05 469.87 476.82 493.93 522.27 527.48 589.70 618.32 634.05 653.66 658.12 672.73 717.05 738.43 779.76 797.98 818.57 860.49 914.33 948.96 949.90 972.73 987.02 996.30 1029.74 1039.87 1125.12 1126.20 1157.84 1161.81 1187.01 1197.34 1216.05 1230.84 1234.49 1235.61 1255.29 1265.42 1284.54 1317.68 1332.29 1346.96 1351.36 1353.62 1380.26 1383.75 1394.75 1405.48 1420.51 1426.72 1445.70 1484.23 1487.22 1505.65 1506.44 1521.59 1532.88 1548.22 1560.81 1567.53 1588.67 1589.40 1589.48 1613.20 1622.09 1625.36 1629.98 1640.42 1660.89 1675.76 1704.70 1709.73 1726.74 1757.39 1761.53 1792.29 1808.21 1809.57 1818.63 1840.75 1856.10 1865.59 1874.72 1877.53 1896.75 1915.49 1920.20 1929.82 1933.41 1946.16 1968.50 1979.68 1990.50 2005.61 2013.42 2020.56 2045.55 2056.96 2068.89 2074.28 2086.33 2099.97 2106.48 2115.29 2117.36 2135.63 2169.01 2193.86 2229.15 2239.20 2248.03 2265.55 2282.16 2333.45 2336.66 2353.82 2364.61 2365.85 2370.82 2383.24 2392.46 2404.64 2412.34 2448.02 2449.39 2554.84 2569.15 2601.38 2603.36 2606.46 2772.54 4546.36 4593.08 4629.66 4636.46 4641.17 4655.68 4658.20 4668.43 4669.48 4683.42 4696.99 4702.98 4713.54 4717.80 4737.95 4746.03 4767.01 4817.26 4821.69 4830.92 4846.06 4853.32 4859.35 4875.12 4893.59 4940.60 4959.36 5011.06 5557.50 5626.50 0.568551 0.595517 0.596461 0.504579 -1733.334378 -1733.307413 -1733.306468 -1733.398350 3.081737D-04 MUNgauss RevisionA2.0 retrievium 15-Dec-2020 DUDE c1ccc(cc1)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3c5cc(ccc5N2)C(=O)NCCSCc6ccco6 C15228679 RHF 6-31G(d) (6D,10F) C1 458.202800 |X|Y|Z| 168.132708 49.092468 37.347360 67.552640 32 6 7 8 16 28 2 1 1 |36.858105| |13.774449|36.858105| |7.936573|13.729190|36.858105| |6.818596|7.889089|13.725155|36.858105| |7.929010|6.887251|7.970512|13.675460|36.858105| |13.729335|7.958731|6.896783|7.895015|13.772563|36.858105| |4.416052|5.007680|7.559845|12.530649|7.494107|4.994547|36.858105| |4.009272|4.828975|7.438912|8.988071|5.609503|4.206948|17.528209|0.500000| |3.730016|4.042188|5.396850|7.476801|5.906122|4.247075|12.497808|0.246482|36.858105| |3.843046|3.918509|4.916097|7.065981|6.641182|4.646416|9.108464|0.176311|17.558656|0.500000| |3.472393|3.849755|4.899920|5.682090|4.634000|3.718083|7.023603|0.179967|12.283743|0.246457|36.858105| |3.895066|4.499415|5.760189|6.069370|4.781791|3.984995|6.517843|0.175749|8.493747|0.189282|17.590015|0.500000| |3.075939|3.211778|3.764232|4.359210|4.031681|3.374203|4.923902|0.121921|7.776212|0.220083|12.362263|0.238408|36.858105| |2.583890|2.680566|3.135347|3.665439|3.423988|2.855531|4.427148|0.111479|6.836741|0.190998|7.879948|0.155130|12.210612|36.858105| |2.566883|2.748623|3.334510|3.880758|3.407725|2.790502|5.156382|0.137221|7.958350|0.182334|8.391105|0.160055|7.796335|12.314182|36.858105| |2.251367|2.402126|2.855573|3.238979|2.890266|2.423687|4.171055|0.114691|5.613337|0.135729|5.768909|0.123264|5.609961|8.575013|17.586039|0.500000| |2.773598|3.086694|3.820050|4.201789|3.493466|2.907452|5.407195|0.155521|7.823944|0.163422|12.355373|0.235273|8.109916|7.945892|12.333182|0.236068|36.858105| |2.902915|3.115902|3.938947|4.927912|4.185650|3.236164|7.680321|0.191287|12.354991|0.246515|7.872577|0.157483|6.230768|7.477425|12.404810|0.239050|8.221337|36.858105| |2.804284|3.091616|3.967085|4.737062|3.852953|3.038659|7.544897|0.221950|8.915416|0.176826|6.597047|0.145108|4.932612|5.532196|9.037135|0.211667|7.745093|17.482586|0.500000| |2.748921|2.843877|3.469626|4.435346|4.091268|3.160142|6.362368|0.150227|7.754167|0.209600|5.135123|0.114528|4.684657|5.668492|7.001721|0.170062|5.017012|12.697684|0.254747|36.858105| |2.339678|2.379247|2.787189|3.402011|3.284064|2.668571|4.372229|0.108351|5.176664|0.148518|4.010280|0.092059|3.995401|5.147238|5.799207|0.158819|4.086823|7.390144|0.167878|13.878655|36.858105| |2.190682|2.189239|2.504656|3.021697|3.021711|2.511817|3.668627|0.091440|3.992077|0.117487|3.178722|0.076234|3.182102|3.821737|4.072179|0.112507|3.161970|4.956361|0.122476|7.880188|13.628533|36.858105| |2.351657|2.326226|2.653591|3.244036|3.310847|2.734399|3.860475|0.094891|3.887818|0.115276|3.014677|0.074118|2.929919|3.300965|3.517627|0.094166|2.900046|4.465778|0.114216|6.868952|7.969495|13.740166|36.858105| |2.777115|2.761195|3.228637|4.115265|4.164771|3.285221|5.043389|0.119443|4.690930|0.138031|3.412429|0.084421|3.169782|3.421375|3.730694|0.096046|3.176216|5.115864|0.132574|7.888715|6.886134|7.892280|13.761525|36.858105| |3.088417|3.162885|3.894661|5.229954|4.905138|3.641523|7.490085|0.166087|6.976822|0.195586|4.485846|0.107139|3.949982|4.254031|4.896824|0.119970|4.100824|7.856239|0.195655|13.491438|7.909812|6.793756|7.913620|13.692224|36.858105| |3.767730|3.992115|5.270604|7.713082|6.381312|4.421225|12.942614|0.253129|7.952682|0.202329|4.909197|0.122957|3.973775|3.924811|4.546308|0.108397|4.253490|7.076988|0.194686|7.863697|5.190031|4.549572|5.181920|7.891392|13.768775|53.358707| |1.886834|1.877631|2.102512|2.457610|2.475645|2.130596|2.869482|0.073332|3.134237|0.091763|2.662059|0.064846|2.743553|3.311277|3.407692|0.097806|2.699354|3.770971|0.095428|5.072852|7.698287|12.763585|7.494502|5.004148|4.435256|4.566568|36.858105| |1.795040|1.789458|1.994421|2.306153|2.315554|2.011717|2.673315|0.068754|3.010563|0.088114|2.648633|0.064202|2.811777|3.497256|3.491243|0.102495|2.725776|3.627342|0.090664|4.559037|6.770308|8.069727|5.287247|4.004922|3.806974|4.076986|15.813354|73.516695| |1.746572|1.730777|1.913926|2.204790|2.235690|1.959085|2.514399|0.065036|2.645481|0.076858|2.273617|0.056584|2.312083|2.685512|2.773233|0.079301|2.294719|3.069151|0.080241|3.947184|5.199358|7.834686|6.534523|4.441440|3.740516|4.020732|14.006425|15.136296|53.358707| |1.547182|1.532769|1.675162|1.894376|1.920205|1.714721|2.122649|0.055596|2.238115|0.064643|1.984189|0.049884|2.037771|2.351300|2.397037|0.069351|2.019667|2.555675|0.067448|3.100039|3.894257|5.025924|4.366762|3.319596|2.922238|3.289426|7.778072|12.321906|17.878240|36.858105| |1.504259|1.473912|1.592084|1.796403|1.850914|1.672954|1.972412|0.051258|2.092097|0.061403|1.876503|0.047463|1.962970|2.237916|2.209244|0.063030|1.880583|2.322288|0.060477|2.762946|3.378210|4.188685|3.756693|2.957893|2.625909|3.008898|5.938153|10.424251|10.520785|12.469958|36.858105| |1.315704|1.292687|1.384128|1.535381|1.573394|1.443442|1.667071|0.043887|1.758316|0.051027|1.612081|0.041220|1.683985|1.896207|1.873866|0.053831|1.628626|1.932014|0.051010|2.214583|2.608979|3.036522|2.787740|2.319593|2.111418|2.495048|3.919565|7.190603|6.377713|6.942171|10.475976|388.023441| |1.287985|1.254298|1.330076|1.471847|1.526351|1.415412|1.573462|0.041188|1.666597|0.048891|1.542633|0.039665|1.633463|1.816020|1.753805|0.049774|1.538470|1.792889|0.046914|2.027083|2.341556|2.660656|2.478862|2.114015|1.942483|2.325407|3.268346|6.096482|4.949900|4.568552|6.861681|74.188489|36.858105| |1.171425|1.143109|1.205911|1.321145|1.364772|1.276153|1.403916|0.037015|1.481250|0.043154|1.387036|0.035907|1.465055|1.614727|1.563003|0.044461|1.388720|1.584535|0.041777|1.759854|1.997267|2.217166|2.083235|1.817459|1.690098|2.054310|2.638744|4.925495|3.927137|3.519853|4.592178|49.299269|12.796484|36.858105| |1.106173|1.077653|1.130715|1.231935|1.274564|1.200408|1.299469|0.034354|1.359199|0.039512|1.275213|0.033226|1.339280|1.459242|1.417186|0.040151|1.272813|1.441850|0.038219|1.591770|1.779372|1.966515|1.881707|1.663730|1.545644|1.898215|2.281503|4.179283|3.403413|2.963435|3.672875|36.160644|7.343157|14.194364|36.858105| |1.032419|1.009133|1.057202|1.144796|1.178651|1.113484|1.206369|0.032051|1.263894|0.036559|1.196787|0.031265|1.257528|1.367901|1.329138|0.037793|1.200653|1.340185|0.035646|1.461937|1.623911|1.765709|1.681588|1.503286|1.412837|1.747736|2.027538|3.751005|2.971336|2.553895|3.023258|28.715101|5.146081|8.567159|13.232457|36.858105| |1.047723|1.027349|1.080057|1.170561|1.200405|1.129618|1.239983|0.032970|1.309250|0.037818|1.244970|0.032407|1.314589|1.441638|1.397558|0.039965|1.256246|1.397017|0.037084|1.519408|1.699761|1.834824|1.720844|1.533746|1.452176|1.790141|2.129010|4.015288|3.080348|2.671805|3.154191|30.358656|5.345673|8.778295|8.608877|14.232812|36.858105| |1.128755|1.106406|1.168465|1.274890|1.308751|1.223688|1.358331|0.035968|1.442439|0.041821|1.364170|0.035297|1.446418|1.601586|1.548240|0.044346|1.376643|1.549181|0.040897|1.700792|1.929559|2.101731|1.947676|1.712324|1.615166|1.970316|2.495233|4.766596|3.620504|3.219512|3.973229|40.624382|7.870267|14.146867|8.644450|8.632221|14.177835|73.516695| |17.716392|8.912687|5.641845|4.923620|5.641140|8.899250|3.534938|0.091155|3.099039|0.088950|2.956309|0.091420|2.695813|2.292607|2.258157|0.055777|2.427411|2.500328|0.067288|2.389396|2.079824|1.969322|2.106932|2.437798|2.648472|4.250640|1.723379|2.927164|2.190166|1.439348|1.408376|8.832927|1.223032|1.117976|1.060265|0.991627|1.003985|1.915309|0.500000| |8.917397|17.713466|8.917443|5.628810|4.959127|5.650918|4.091899|0.114922|3.427198|0.091105|3.392113|0.110736|2.862179|2.415266|2.487761|0.061301|2.826772|2.751624|0.076957|2.502269|2.129621|1.967257|2.074401|2.418504|2.732869|4.566754|1.710759|2.913227|2.160244|1.418715|1.364613|8.590543|1.172715|1.074986|1.016498|0.955566|0.972539|1.854699|0.214635|0.500000| |5.650736|8.928298|17.699795|8.919412|5.655699|4.963022|7.034870|0.230003|5.148681|0.122906|4.917888|0.163262|3.637273|3.080461|3.396156|0.081595|4.054187|3.951780|0.115602|3.369247|2.712464|2.414753|2.524702|3.031977|3.680698|6.673557|2.039770|3.453606|2.529058|1.633914|1.541290|9.585445|1.287692|1.171629|1.098522|1.030699|1.055144|2.026174|0.124208|0.215918|0.500000| |5.646830|4.958939|5.656811|8.897655|17.710917|8.943359|6.942105|0.140609|6.020220|0.208809|4.469391|0.120507|4.104007|3.626852|3.539186|0.083515|3.436073|4.434061|0.109344|4.637782|3.734420|3.480427|3.882165|4.965803|5.737153|9.345612|2.795928|4.601755|3.406605|2.118698|2.049902|12.196708|1.665444|1.474994|1.371489|1.260405|1.283469|2.502069|0.124206|0.107620|0.124171|0.500000| |8.906757|5.653690|4.963954|5.629557|8.934705|17.712276|4.076775|0.096560|3.653066|0.113860|3.234235|0.094117|3.073483|2.653412|2.542955|0.062117|2.590970|2.901353|0.075061|2.911541|2.530875|2.430730|2.657110|3.122900|3.327835|5.208207|2.089497|3.510372|2.635497|1.703143|1.681267|10.323310|1.436907|1.295053|1.221262|1.130086|1.142690|2.199114|0.214568|0.124150|0.107688|0.216244|0.500000| |3.343749|3.358626|3.832201|4.559572|4.519380|3.794237|4.810970|0.113988|7.109637|0.240165|8.656400|0.198451|17.570715|8.584142|5.819931|0.124598|5.711630|5.362962|0.118701|4.467519|3.856065|3.176064|2.982455|3.240795|3.950266|5.407977|2.735247|4.945635|3.156079|2.038921|1.991792|12.087248|1.667475|1.490436|1.364503|1.275937|1.328733|2.600781|0.081269|0.081740|0.098655|0.130814|0.097413|0.500000| |2.838956|2.977940|3.382287|3.701209|3.440707|3.017931|4.000489|0.103594|5.570663|0.153070|8.768140|0.210569|17.551523|8.676614|6.137157|0.135479|7.063056|4.777864|0.113020|3.741562|3.321657|2.727708|2.519176|2.686377|3.235226|4.469445|2.423481|4.463401|2.823952|1.862065|1.804982|11.191034|1.535808|1.390395|1.274976|1.205013|1.261865|2.455275|0.070504|0.075562|0.092356|0.095208|0.077088|0.302575|0.500000| |2.552295|2.584996|2.986363|3.579359|3.488956|2.892268|4.273406|0.104113|6.319459|0.198788|6.109067|0.128620|8.612832|17.575101|8.671358|0.192614|5.729005|7.000523|0.140880|6.302791|6.124706|4.485598|3.763748|3.799037|4.622862|5.481966|3.855519|7.312746|4.132323|2.619886|2.514835|14.828525|2.003709|1.758252|1.577868|1.467791|1.547420|3.082811|0.063063|0.064198|0.079838|0.106885|0.075980|0.220638|0.177386|0.500000| |2.292032|2.373492|2.711928|3.061131|2.888162|2.489720|3.566053|0.092748|4.973584|0.137784|5.916534|0.128618|8.664198|17.568705|8.739387|0.216410|6.571569|5.478526|0.124111|4.456956|4.332852|3.364798|2.888750|2.919378|3.474523|4.386313|3.063845|5.925327|3.421981|2.255910|2.163194|13.252321|1.793540|1.606995|1.449443|1.368391|1.451445|2.862439|0.057420|0.060440|0.074784|0.084061|0.065033|0.182901|0.225523|0.303567|0.500000| |2.532347|2.798043|3.328401|3.525509|3.029392|2.613723|4.201842|0.120659|5.589899|0.129357|8.679355|0.198870|7.437374|7.118172|8.603326|0.199599|17.551601|5.721390|0.151604|3.996118|3.468690|2.768884|2.530691|2.710276|3.345595|4.671599|2.443718|4.462930|2.855534|1.880367|1.766704|11.026718|1.474434|1.340622|1.230131|1.167218|1.224803|2.377703|0.062665|0.072629|0.098115|0.082480|0.065558|0.145703|0.215353|0.141540|0.189860|0.500000| |2.729366|3.113400|3.923909|4.177769|3.358651|2.808386|5.510068|0.175619|6.817807|0.139700|8.560801|0.198664|5.663873|5.614810|8.622815|0.199649|17.559595|7.479137|0.240712|4.748383|3.830392|3.028031|2.828295|3.137105|4.044914|5.907961|2.578941|4.558543|3.031766|1.961236|1.806972|11.188404|1.474507|1.335641|1.229073|1.160551|1.211091|2.351129|0.066336|0.080187|0.121218|0.090251|0.068982|0.123603|0.142459|0.124951|0.135629|0.300879|0.500000| |2.156488|2.202230|2.553949|3.032471|2.911735|2.421023|3.805481|0.096984|4.672025|0.131826|3.930559|0.089564|4.083326|5.698155|6.321344|0.188905|4.209925|6.712329|0.153736|8.964138|17.742758|8.948509|5.674806|4.960949|5.626247|5.706586|7.245022|13.555662|6.586193|3.856572|3.369538|18.840557|2.377762|2.037431|1.800424|1.655549|1.752061|3.549286|0.053718|0.055367|0.069797|0.089976|0.063983|0.106535|0.095996|0.189142|0.138955|0.101863|0.107295|0.500000| |2.184289|2.138346|2.387907|2.854078|2.964090|2.524998|3.253189|0.081299|3.220997|0.095476|2.590741|0.064944|2.540670|2.811332|2.939884|0.079490|2.492691|3.568029|0.093124|4.950426|5.643832|8.882039|17.714181|9.005382|5.656379|5.727498|6.836812|8.592627|9.757107|4.741691|4.103026|21.284176|2.641465|2.200246|1.996473|1.763566|1.787534|3.599277|0.055070|0.053391|0.063029|0.095552|0.069288|0.072375|0.061825|0.088107|0.069858|0.061536|0.067824|0.124287|0.500000| |2.882457|2.829260|3.249578|4.087452|4.251825|3.423638|4.673883|0.112293|4.080658|0.119564|3.063482|0.078117|2.826239|2.944782|3.166512|0.081616|2.817534|4.171679|0.111594|5.612250|4.957543|5.629922|8.924708|17.698929|8.894579|9.780387|4.075918|5.946985|5.246386|2.992896|2.714150|15.443108|1.997268|1.730971|1.602051|1.446741|1.464065|2.883849|0.070540|0.068756|0.083807|0.139452|0.091172|0.081103|0.067664|0.089129|0.070880|0.067703|0.078158|0.107639|0.218126|0.500000| |3.979419|4.139134|5.279397|7.427636|6.609385|4.702031|9.081573|0.202063|5.825967|0.156832|4.042852|0.105905|3.379466|3.287565|3.675977|0.090115|3.525243|5.167313|0.144920|5.785136|4.302375|4.049093|4.859282|7.489355|9.421102|26.061835|3.079152|4.849859|3.813246|2.309319|2.125394|12.608409|1.657836|1.468753|1.366066|1.255609|1.278441|2.491585|0.091620|0.096184|0.132910|0.193767|0.113296|0.095677|0.079776|0.094134|0.077102|0.081822|0.100572|0.098423|0.115201|0.224935|0.500000| |1.779906|1.766344|1.956056|2.253298|2.279699|1.995137|2.570139|0.066732|2.632389|0.075863|2.235743|0.056029|2.229504|2.542873|2.672462|0.075800|2.247073|3.032069|0.080720|3.926944|4.915145|7.436972|7.303932|4.867604|3.905566|4.204470|9.398020|10.939153|26.131328|9.064319|5.994917|28.904090|3.218864|2.623305|2.328670|2.040358|2.088205|4.282149|0.045498|0.044975|0.052773|0.070746|0.054657|0.062120|0.055509|0.078732|0.065550|0.056713|0.061343|0.121650|0.246415|0.119689|0.082633|0.500000| |1.497535|1.494088|1.637692|1.841051|1.845840|1.647933|2.077239|0.054863|2.216885|0.063389|1.992438|0.049908|2.053482|2.404105|2.464429|0.072684|2.062780|2.569782|0.068070|3.055202|3.873477|4.700567|3.903626|3.064489|2.796800|3.170271|7.232660|13.245823|12.452541|17.612645|8.866032|46.057277|4.281910|3.425993|2.856461|2.527505|2.708444|5.818136|0.038693|0.038553|0.044676|0.056106|0.045217|0.056433|0.052419|0.073851|0.064922|0.053689|0.055619|0.111427|0.111780|0.076090|0.061191|0.188633|0.500000| |1.480029|1.468219|1.598509|1.793397|1.813672|1.630551|1.996582|0.052721|2.067391|0.059227|1.836387|0.046584|1.862573|2.115006|2.179507|0.062921|1.869822|2.338814|0.062727|2.801040|3.385393|4.277731|3.969055|3.103085|2.707937|3.102769|5.797942|9.020084|12.621229|17.585376|8.845181|46.837319|4.235194|3.396868|2.946167|2.537526|2.608178|5.464026|0.038375|0.037900|0.043427|0.055177|0.044994|0.051715|0.047510|0.064486|0.056345|0.048417|0.050958|0.091730|0.123202|0.079659|0.061274|0.236306|0.301868|0.500000| |1.543057|1.500426|1.612633|1.824751|1.901963|1.725918|1.982714|0.051224|2.077241|0.061438|1.847878|0.047000|1.924709|2.158178|2.124209|0.059746|1.826199|2.266873|0.059008|2.713822|3.242914|4.088338|3.887183|3.060659|2.652312|3.050579|5.376087|8.817167|9.677314|8.856965|17.577976|56.205427|6.393658|4.339175|3.629527|2.925126|2.951761|6.421624|0.040201|0.038497|0.043097|0.058861|0.048526|0.054790|0.049025|0.067430|0.057391|0.047479|0.048813|0.087260|0.123162|0.079426|0.060559|0.167307|0.173985|0.210810|0.500000| |1.551085|1.517446|1.641135|1.859540|1.921110|1.731395|2.044618|0.052810|2.209184|0.065428|1.991733|0.050060|2.119510|2.446467|2.367835|0.067500|1.991983|2.454411|0.062955|2.911954|3.619024|4.382700|3.770318|2.987735|2.706658|3.086647|6.334321|12.394707|9.463587|8.895317|17.616998|56.273962|6.627276|4.448041|3.493875|2.934286|3.130327|7.103896|0.040273|0.038934|0.044034|0.059354|0.048362|0.059921|0.054069|0.077516|0.066033|0.052123|0.052570|0.102570|0.110099|0.075066|0.059951|0.146153|0.215706|0.174178|0.300618|0.500000| |1.317058|1.275202|1.347204|1.493728|1.561610|1.453087|1.585818|0.041342|1.667181|0.049167|1.533588|0.039562|1.619100|1.781962|1.718744|0.048339|1.514864|1.775927|0.046430|2.018743|2.309596|2.652811|2.531449|2.162640|1.963557|2.355606|3.190056|5.767509|4.890994|4.326351|6.475041|56.233509|17.609066|9.046705|6.878819|4.646949|4.468077|10.285226|0.034797|0.033062|0.036068|0.047507|0.041207|0.046236|0.042161|0.054727|0.048495|0.040182|0.040363|0.064105|0.076150|0.057321|0.046972|0.090110|0.107742|0.113636|0.193430|0.168292|0.500000| |1.329501|1.293723|1.373638|1.524513|1.583177|1.464800|1.631958|0.042559|1.749171|0.051586|1.626046|0.041643|1.742473|1.950787|1.859126|0.052750|1.619999|1.882399|0.048824|2.122578|2.469491|2.772402|2.534444|2.162990|2.008710|2.396699|3.425091|6.619111|4.965030|4.433656|6.606194|56.373373|17.593952|9.003089|5.713698|4.481386|4.929732|12.994746|0.035017|0.033539|0.036891|0.048111|0.041311|0.049509|0.045529|0.060247|0.053800|0.043235|0.042809|0.070496|0.073784|0.056245|0.047149|0.087955|0.118559|0.108923|0.164665|0.206360|0.301052|0.500000| |1.110936|1.079025|1.129168|1.230273|1.277776|1.206889|1.292137|0.034119|1.342476|0.039084|1.254138|0.032763|1.311632|1.419958|1.381738|0.038958|1.245448|1.416613|0.037600|1.568767|1.742733|1.938295|1.882181|1.668522|1.538727|1.894594|2.224048|4.004467|3.350414|2.873766|3.541842|33.051769|6.355731|8.831184|17.795235|8.439933|5.857634|10.463822|0.029625|0.028263|0.030408|0.038223|0.034210|0.037242|0.034617|0.042647|0.038961|0.033343|0.033474|0.048510|0.056001|0.044973|0.038078|0.064520|0.075338|0.080533|0.101169|0.091956|0.190255|0.137617|0.500000| |0.980262|0.958155|1.000614|1.078894|1.110336|1.053488|1.132395|0.030159|1.181584|0.034104|1.122011|0.029426|1.175408|1.270622|1.236919|0.035116|1.124892|1.247433|0.033289|1.353511|1.490689|1.612393|1.546663|1.394777|1.313765|1.636067|1.826829|3.357749|2.668493|2.257010|2.608484|23.770894|4.036540|5.839462|8.436532|17.801236|8.830261|10.453545|0.026225|0.025267|0.027119|0.032861|0.029717|0.033124|0.031374|0.037686|0.035311|0.030428|0.030273|0.042103|0.045020|0.037472|0.032742|0.051427|0.061999|0.062832|0.070905|0.070224|0.105522|0.099951|0.192811|0.500000| 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