Version2.4 2021-06-06T20:10:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 16-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@]12CC[C@@H]3[C@H]([C@H]1CC[C@H]2OC(=O)CCC(=O)N[C@H](CCSC)C(=O)[O-])CCC4=CC(=O)CC[C@@]34C C16041633 RHF 6-31G(d) (6D,7F) C[C@@]12CC[C@@H]3[C@H]([C@H]1CC[C@H]2OC(=O)CCC(=O)N[C@H](CCSC)C(=O)[O-])CCC4=CC(=O)CC[C@@]34C C01[X(C28H40N1O6S1)] 222 C1 624 CSCC[C@H](C(=O)[O-])NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@H]2CCC2=CC(=O)CC[C@@]12C CSCC[C@H](C(=O)[O-])NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@H]2CCC2=CC(=O)CC[C@@]12C CSCC[C@@H](NC(=O)CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C([O-])=O InChIKey=HDTPISZMYXBJDM-HYMICGHWSA-M InChI=1S/C28H41NO6S/c1-27-13-10-18(30)16-17(27)4-5-19-20-6-7-23(28(20,2)14-11-21(19)27)35-25(32)9-8-24(31)29-22(26(33)34)12-15-36-3/h16,19-23H,4-15H2,1-3H3,(H,29,31)(H,33,34)/p-1/t19-,20+,21+,22+,23+,27+,28+/m0/s1 InChI=1/C28H41NO6S/c1-27-13-10-18(30)16-17(27)4-5-19-20-6-7-23(28(20,2)14-11-21(19)27)35-25(32)9-8-24(31)29-22(26(33)34)12-15-36-3/h16,19-23H,4-15H2,1-3H3,(H,29,31)(H,33,34)/p-1/t19-,20+,21+,22+,23+,27+,28+/m0/s1/fC28H40NO6S/h29H/q-1 C[C@@]12CC[C@@H]3[C@H]([C@H]1CC[C@H]2OC(=O)CCC(=O)N[C@H](CCSC)C(=O)[O-])CCC4=CC(=O)CC[C@@]34C C01[X(C28H40N1O6S1)] 222 C01 624 CSCC[C@H](C(=O)[O-])NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@H]2CCC2=CC(=O)CC[C@@]12C CSCC[C@H]([C]([O])[O])[NH][C](=O)CCC(=O)O[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@H]2CCC2=CC(=O)CC[C@@]12C CSCC[C@@H](NC(=O)CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)[C]([O])[O] InChIKey=CMAAPJYRVGAYKH-HYMICGHWSA-N InChI=1S/C28H40NO6S/c1-27-13-10-18(30)16-17(27)4-5-19-20-6-7-23(28(20,2)14-11-21(19)27)35-25(32)9-8-24(31)29-22(26(33)34)12-15-36-3/h16,19-23H,4-15H2,1-3H3,(H,29,31)/t19-,20+,21+,22+,23+,27+,28+/m0/s1 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1636.3818 1640.3091 1640.8298 1642.5681 1647.5579 1653.2932 1656.6864 1658.4292 1660.3123 1671.1919 1671.3021 1697.8357 1834.9111 1898.3844 1919.5964 1984.2460 1997.9485 3135.0974 3153.1643 3190.3159 3197.7420 3201.2056 3207.9314 3210.3672 3212.3221 3212.5157 3216.6492 3222.0786 3229.3998 3235.1947 3236.7876 3237.7908 3239.7112 3240.0207 3243.7262 3245.8758 3247.1606 3250.1419 3255.1875 3258.0052 3268.5990 3270.8294 3274.8446 3277.1344 3278.7885 3286.0262 3287.5575 3288.5869 3290.3296 3295.0682 3297.6138 3299.6550 3302.0817 3311.9152 3323.0984 3355.7205 3779.0804 6.6626 5.7829 5.9705 5.4348 7.2046 3.4675 5.6935 3.9115 5.9538 5.1183 8.4144 3.5620 3.2421 3.2464 3.3344 3.3654 4.4811 2.9743 3.0380 4.5819 2.8604 1.2947 2.3276 3.2073 2.8506 3.0797 4.2866 1.6012 2.2785 2.9743 3.7041 3.3899 2.4014 2.1009 4.3520 1.9804 2.1558 3.1999 4.2034 3.4301 4.8136 2.6994 2.7170 3.1910 3.9555 3.2811 3.6644 3.6254 4.0114 3.4612 2.6495 2.8681 3.4527 3.3157 3.0989 2.3399 3.1720 2.7045 3.5478 2.7498 3.5241 4.2008 4.5271 3.7962 3.0335 1.4237 4.4084 2.4849 2.4644 2.6537 1.6851 2.5883 3.4654 2.6316 1.7122 2.3968 2.2223 2.0081 1.8103 1.8673 1.8028 4.1786 2.0353 2.4910 2.0032 2.3854 3.3429 2.0536 2.0769 2.2222 1.5453 1.8695 1.3416 2.8876 1.8508 1.8469 1.9186 1.8795 2.2282 2.1655 2.3931 2.6509 1.7863 2.2227 2.7793 2.7599 1.8218 2.3531 2.7212 1.6353 3.1412 2.0585 1.7462 1.5743 1.2925 1.3292 2.2224 1.6682 1.8057 2.2031 1.9413 1.3188 1.4372 1.7909 1.4245 1.3017 1.3724 1.4799 1.5088 1.7833 1.3351 1.4765 1.1792 1.5178 1.4148 1.4671 1.3679 1.4557 1.3594 1.4149 1.5537 1.5400 1.5667 1.4953 1.2606 1.4630 1.5990 1.4387 3.3207 1.4203 1.9693 1.3919 1.5085 1.4208 1.2489 1.4167 1.6354 1.3581 1.0990 1.0862 1.0528 1.0834 1.1040 1.1102 1.0728 1.0548 1.1007 1.0821 1.0890 1.0821 1.0877 1.0692 1.0719 1.0595 1.0867 1.0859 2.5102 8.2591 9.4082 9.5900 11.1389 12.2468 1.0830 1.0848 1.0674 1.0769 1.0660 1.0703 1.0679 1.0310 1.0694 1.0668 1.0613 1.0443 1.0643 1.0591 1.0854 1.0893 1.0628 1.0731 1.0756 1.1003 1.0672 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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 1.00783 1.00783 1.00783 6311.8761 75289.6227 78940.8378 0.99998 0.00550 0.00150 -0.00549 0.99997 -0.00527 -0.00153 0.00527 0.99998 1 0.01372 0.00115 0.00110 0.28593 0.02397 0.02286 7.37 13.17 23.19 39.71 54.19 59.14 73.11 77.07 82.87 92.38 98.28 119.39 138.43 147.92 155.06 179.83 190.80 208.83 216.44 229.40 265.07 275.92 278.72 281.94 292.53 307.99 337.78 348.92 353.15 384.13 399.65 411.15 439.64 459.65 470.25 476.99 483.66 499.37 517.51 534.25 564.01 581.50 597.16 615.57 645.16 666.15 692.47 721.70 779.59 789.27 830.84 850.67 862.89 876.15 907.85 920.22 930.95 946.31 984.56 994.31 1032.22 1044.38 1058.21 1079.80 1117.70 1133.26 1139.85 1177.55 1184.91 1211.16 1223.40 1239.28 1244.68 1248.88 1261.49 1284.22 1305.40 1324.08 1346.94 1407.14 1423.52 1427.24 1435.99 1457.69 1464.45 1492.20 1497.90 1515.40 1520.54 1534.68 1538.79 1540.26 1544.97 1566.23 1577.55 1587.36 1595.68 1610.87 1620.60 1646.57 1648.20 1655.46 1664.89 1668.22 1692.07 1703.55 1719.81 1746.22 1757.11 1767.92 1775.28 1801.76 1810.17 1834.88 1850.75 1862.54 1873.02 1895.33 1901.50 1915.04 1926.18 1937.85 1942.70 1952.54 1973.09 1976.55 1988.16 1995.88 2027.87 2033.20 2042.06 2051.27 2061.60 2062.41 2085.99 2100.27 2110.10 2130.66 2135.61 2137.95 2141.96 2153.32 2170.08 2172.14 2181.23 2183.06 2184.61 2191.96 2197.03 2197.34 2221.45 2224.67 2235.96 2241.93 2256.29 2266.10 2275.61 2293.36 2317.73 2325.84 2329.80 2331.88 2334.70 2340.76 2350.40 2354.39 2360.04 2360.79 2363.29 2370.47 2378.72 2383.60 2386.11 2388.82 2404.47 2404.63 2442.81 2640.03 2731.35 2761.87 2854.89 2874.60 4510.71 4536.70 4590.15 4600.84 4605.82 4615.50 4619.00 4621.82 4622.09 4628.04 4635.85 4646.39 4654.72 4657.02 4658.46 4661.22 4661.67 4667.00 4670.09 4671.94 4676.23 4683.49 4687.54 4702.78 4705.99 4711.77 4715.07 4717.45 4727.86 4730.06 4731.54 4734.05 4740.87 4744.53 4747.47 4750.96 4765.11 4781.20 4828.13 5437.25 0.701600 0.735947 0.736891 0.629356 -1984.133710 -1984.099363 -1984.098419 -1984.205953 3.606708D-04 MUNgauss RevisionA2.1 retrievium 06-Jun-2021 DUDE C[C@@]12CC[C@@H]3[C@H]([C@H]1CC[C@H]2OC(=O)CCC(=O)N[C@H](CCSC)C(=O)[O-])CCC4=CC(=O)CC[C@@]34C C16041633 RHF 6-31G(d) (6D,10F) C1 518.257635 |X|Y|Z| 199.904064 54.537599 31.232912 69.830214 17 6 17 |36.858105| |12.370163|36.858105| |7.539610|12.430696|36.858105| |6.089260|7.514710|12.390138|36.858105| |5.023909|6.308576|7.396991|12.332396|36.858105| |4.285116|5.687863|6.887342|9.031802|17.544322|0.500000| |5.795049|7.250947|6.295115|7.385962|12.279867|0.250472|36.858105| |4.451238|5.460051|4.894167|5.501592|8.920566|0.230139|17.465413|0.500000| |7.323228|12.362485|7.664557|6.582532|7.584097|0.194027|12.424286|0.251708|36.858105| |5.483792|9.103372|7.324101|6.074385|7.175282|0.219331|9.170232|0.232869|17.454532|0.500000| |6.240749|7.825372|5.034215|4.359856|4.803460|0.126958|7.146935|0.182430|12.407636|0.251928|36.858105| |6.202751|7.786862|4.975752|3.905154|3.896257|0.106071|4.904272|0.124098|7.864884|0.195821|12.273328|36.858105| |7.584036|12.382397|7.352461|4.862624|4.401447|0.120638|5.020598|0.120092|8.180007|0.215073|7.723043|12.335845|36.858105| |5.544850|8.839817|7.070632|4.681235|4.323358|0.126019|4.670480|0.116637|7.162558|0.228573|6.371169|8.802342|17.626111|0.500000| |6.865920|7.816262|5.932274|4.103887|3.535024|0.095665|3.815600|0.092489|5.257926|0.137716|5.190913|7.689702|13.452927|0.261002|73.516695| |4.645817|5.196945|4.435412|3.285574|2.921342|0.081192|3.102738|0.078255|4.061612|0.112457|4.172872|6.073001|8.066524|0.210110|25.404431|36.858105| |3.910300|4.594654|3.989574|3.035185|2.801534|0.079825|2.991706|0.077579|3.917896|0.113674|4.121946|6.020109|7.156026|0.217227|15.281717|16.008405|73.516695| |3.959376|4.016636|3.638503|2.844016|2.497517|0.068559|2.598731|0.065697|3.197564|0.086980|3.255726|4.287529|5.181981|0.134193|14.460166|12.652325|14.064821|36.858105| |3.022636|3.129177|2.941009|2.386608|2.142484|0.059720|2.205989|0.056994|2.640885|0.073610|2.699578|3.420111|3.898038|0.107644|9.167560|7.516872|11.845765|12.504550|36.858105| |2.645851|2.633751|2.506745|2.105683|1.891813|0.052245|1.937549|0.050142|2.252186|0.061977|2.299352|2.794285|3.092245|0.083802|6.987951|4.931744|7.797190|7.606541|12.483571|36.858105| |2.673186|2.575399|2.406916|2.048141|1.846398|0.050441|1.910797|0.049323|2.207898|0.059791|2.284169|2.757361|2.975512|0.078462|6.710959|4.491099|6.953114|6.742910|8.030736|15.702280|73.516695| |2.299868|2.315556|2.263954|1.932593|1.741264|0.048405|1.758756|0.045821|2.010317|0.055890|2.024906|2.397647|2.654231|0.073508|5.742032|3.905088|6.465682|5.286263|7.890329|14.317692|14.992052|53.358707| |2.044320|2.025872|1.997335|1.744440|1.575704|0.043598|1.583877|0.041348|1.776899|0.049128|1.783775|2.061111|2.253198|0.061983|4.755534|3.070265|5.088687|3.943926|5.000935|7.685689|11.702461|17.811224|36.858105| |2.119722|2.061050|2.025171|1.775997|1.595108|0.043784|1.605367|0.041687|1.794571|0.049130|1.800603|2.072008|2.265439|0.061410|4.822601|3.043936|4.924516|3.976294|4.685327|7.260666|12.836049|12.481693|17.583865|0.500000| |1.812672|1.797561|1.755772|1.552756|1.424531|0.039480|1.442289|0.037976|1.608445|0.044523|1.634353|1.873813|1.996780|0.054995|4.113658|2.639009|4.493791|3.232820|4.030546|5.616361|9.402885|10.387278|12.424910|0.246469|36.858105| |1.841353|1.807651|1.731812|1.533232|1.417083|0.039106|1.453439|0.038316|1.626457|0.044716|1.679856|1.935494|2.020328|0.054986|4.164108|2.670888|4.546985|3.268170|3.991033|5.551873|10.497472|8.401334|7.438321|0.190804|12.474076|36.858105| |1.584361|1.560650|1.496190|1.344005|1.258167|0.034796|1.292723|0.034372|1.431198|0.039450|1.484815|1.683324|1.726866|0.047221|3.461136|2.180818|3.792664|2.534249|2.976669|3.681394|6.835135|5.430140|4.558917|0.118758|6.888887|10.434516|388.023441| |1.607101|1.568895|1.480473|1.333759|1.257812|0.034641|1.307655|0.034828|1.449202|0.039682|1.526163|1.730073|1.738620|0.047048|3.466753|2.166741|3.768499|2.484216|2.821254|3.370472|6.588229|4.576172|3.568974|0.097759|4.558735|6.853036|74.891280|36.858105| |1.908590|1.911782|1.931515|1.701909|1.531724|0.042590|1.516559|0.039660|1.682787|0.046870|1.661650|1.890053|2.090670|0.058300|4.325482|2.736284|4.585693|3.351703|4.059829|5.219049|7.920037|10.604381|12.156254|0.244331|7.529642|4.859436|25.653325|2.854470|36.858105| |1.966479|2.005926|2.052529|1.793734|1.609556|0.045095|1.582005|0.041405|1.762221|0.049558|1.724655|1.966848|2.206090|0.062478|4.547032|2.906140|4.927075|3.494887|4.304105|5.064321|7.275724|10.116881|8.015738|0.171434|5.589378|4.012184|22.111394|2.544504|15.400688|73.516695| |1.748470|1.736115|1.758059|1.573010|1.420723|0.039378|1.403931|0.036781|1.540058|0.042739|1.519624|1.705160|1.868948|0.051871|3.812866|2.357682|3.955377|2.822650|3.262972|4.069417|6.624298|7.306900|8.095200|0.202090|6.544737|4.414817|24.864679|2.744126|15.545578|15.156441|73.516695| |5.618211|5.567194|4.789473|5.759377|7.532697|0.155451|12.460068|0.251858|7.208324|0.152016|5.790542|4.148908|4.062917|0.101202|5.946144|2.744761|4.622275|2.387800|2.029179|1.823007|3.249572|2.249857|1.507375|0.042820|1.379397|1.399368|8.889944|1.273882|1.437597|2.636393|2.385341|36.858105| |3.903143|3.944026|3.713770|4.611585|6.278633|0.138872|7.671497|0.209342|4.873242|0.117030|4.162073|3.180697|3.117802|0.081052|4.718413|2.265771|3.877758|2.010192|1.752363|1.593498|2.834574|1.993698|1.349234|0.038231|1.243932|1.258126|8.077433|1.155500|1.297594|2.378663|2.168146|12.403252|36.858105| |3.442871|3.683853|3.764315|4.957287|7.441934|0.170130|6.956552|0.201679|4.465678|0.115686|3.617780|2.884866|2.938848|0.079168|4.453079|2.166768|3.742896|1.922377|1.695012|1.537810|2.706335|1.943860|1.316321|0.037115|1.211167|1.214123|7.803252|1.106736|1.279331|2.361561|2.138212|7.442333|12.529198|36.858105| |2.783644|2.972972|3.042047|3.779366|5.152747|0.132520|4.897778|0.151694|3.539876|0.095319|3.029105|2.478711|2.491873|0.068181|3.835609|1.909780|3.337582|1.709171|1.531378|1.397616|2.456773|1.779909|1.211380|0.034052|1.122151|1.124254|7.282700|1.032764|1.181649|2.180403|1.982422|5.070672|7.731345|14.301314|36.858105| |2.428637|2.621275|2.780221|3.422475|4.405768|0.120890|3.882796|0.117459|3.010391|0.083839|2.579051|2.191340|2.244153|0.062547|3.504148|1.770276|3.109813|1.596172|1.446811|1.324413|2.314568|1.702176|1.162466|0.032573|1.077389|1.072725|6.967987|0.982232|1.143488|2.117673|1.922758|3.788457|4.935018|7.672104|12.907965|36.858105| |2.118446|2.269581|2.378880|2.821859|3.476703|0.097048|3.189534|0.097056|2.582993|0.072397|2.282193|1.965371|1.991675|0.055700|3.141897|1.607694|2.840666|1.458810|1.335086|1.228025|2.147189|1.584941|1.086494|0.030394|1.012439|1.008644|6.590519|0.929650|1.070181|1.979170|1.804699|3.140340|3.969444|5.357322|8.145847|15.898504|73.516695| |2.516003|2.748502|3.064345|3.906442|4.866010|0.136320|3.858482|0.110996|3.050238|0.086049|2.532754|2.201618|2.327986|0.065507|3.658437|1.844470|3.223896|1.667084|1.509699|1.380054|2.398073|1.780820|1.215682|0.034049|1.119332|1.106668|7.153731|1.001506|1.204209|2.241056|2.023121|3.612160|4.317724|6.558907|7.512554|12.599053|14.246389|36.858105| |3.048098|3.465027|4.033137|5.511437|7.543980|0.219110|5.086997|0.141911|3.881430|0.110970|3.032991|2.612473|2.834806|0.080301|4.355882|2.158894|3.759984|1.919678|1.716524|1.549640|2.680376|1.987632|1.344367|0.037631|1.228303|1.212743|7.773125|1.086408|1.328749|2.484744|2.216844|4.365068|4.861320|7.577879|6.765273|7.616384|9.459951|12.481488|36.858105| |3.800286|4.220576|4.762825|7.261656|12.020101|0.245770|7.292012|0.184407|4.826934|0.128050|3.616626|2.996344|3.236157|0.088337|4.902743|2.359168|4.039780|2.087145|1.828461|1.649286|2.878905|2.089720|1.410161|0.039740|1.284770|1.277187|8.144576|1.145508|1.379854|2.564118|2.298791|6.519038|7.300074|12.459792|7.576534|6.361735|8.080852|7.380108|12.329697|36.858105| |3.698206|3.780190|4.325575|6.616548|7.275926|0.155697|5.256643|0.127357|3.923643|0.101056|3.091074|2.666793|2.913444|0.077997|4.620555|2.223846|3.738146|2.022013|1.767918|1.620028|2.846971|2.058324|1.402985|0.039841|1.274096|1.263968|8.048805|1.130131|1.377556|2.545790|2.309603|5.512101|6.019058|7.747491|5.652619|5.072708|6.911146|6.032075|7.536868|12.299965|36.858105| |17.601051|8.828513|6.809682|5.282380|4.167006|0.102392|4.447287|0.100033|5.422116|0.124788|4.846451|5.324163|6.908943|0.144912|13.780303|5.134156|7.247790|4.620566|3.381792|2.979661|5.379921|3.482504|2.267022|0.065972|1.977620|2.001243|12.057545|1.709645|2.106252|3.846609|3.415305|4.308877|3.242214|2.949951|2.448412|2.187952|3.428910|2.293601|2.740351|3.291004|3.302832|0.500000| |17.577615|8.680747|5.467263|4.686351|4.271698|0.103516|5.288627|0.118497|6.704743|0.139129|6.984498|6.916450|6.925948|0.139606|11.251043|4.497994|6.839125|3.853139|2.965128|2.614045|4.779063|3.062548|2.003489|0.057784|1.798515|1.854488|11.406147|1.649812|1.845998|3.351146|3.013150|5.460684|3.803940|3.230045|2.657914|2.295471|3.601740|2.322405|2.744270|3.381492|3.258079|0.303369|0.500000| |17.629656|8.688493|6.909617|6.812143|5.521361|0.122956|6.135104|0.127040|6.455031|0.136171|5.257409|4.777544|5.484874|0.123132|8.888321|3.705765|5.726099|3.291179|2.614426|2.345442|4.223299|2.826935|1.878240|0.054250|1.674276|1.694064|10.466312|1.490779|1.773513|3.239644|2.918853|6.647272|4.496621|3.884309|3.056722|2.631264|4.032477|2.733215|3.312298|4.324829|4.416002|0.303084|0.303337|0.500000| |5.511553|8.853297|17.503687|8.838859|6.695504|0.203675|5.613503|0.131406|6.931442|0.220137|4.730582|4.788745|7.019605|0.223362|9.795818|4.436141|7.469898|3.550604|2.963101|2.484130|4.164727|3.089550|1.987472|0.055263|1.751817|1.716792|10.584090|1.464199|1.937348|3.706141|3.119306|4.123381|3.366434|3.529560|2.941389|2.753169|4.221855|3.058497|4.051143|4.433958|3.855486|0.142634|0.122775|0.139332|0.500000| |7.046463|8.769298|17.538805|8.826818|5.437515|0.141365|4.733368|0.106987|5.525270|0.146370|4.150237|4.355362|6.413238|0.168889|10.941285|4.632449|7.085864|3.989638|3.169891|2.722040|4.628373|3.346754|2.169328|0.061499|1.876392|1.835065|11.146687|1.538910|2.108156|3.991279|3.401046|3.979673|3.193807|3.215762|2.664900|2.476796|3.820743|2.744731|3.479181|3.987704|3.890071|0.208221|0.141546|0.179172|0.303490|0.500000| |4.659740|5.502427|8.880787|17.532370|8.830585|0.219625|5.440356|0.124587|4.929897|0.135513|3.546802|3.284812|4.049067|0.112842|6.358677|2.985245|4.952447|2.643053|2.267367|2.017458|3.461646|2.558121|1.707519|0.048149|1.517278|1.484171|9.273632|1.283997|1.688901|3.182943|2.784151|4.481168|3.930586|4.463788|3.577340|3.418807|5.030595|4.126131|5.901328|6.749026|6.565515|0.120345|0.104173|0.141324|0.216776|0.214561|0.500000| |6.703954|6.742634|8.860342|17.590380|8.737732|0.174951|6.520431|0.134880|5.691356|0.136789|4.083236|3.665592|4.416224|0.112751|6.973795|3.121436|5.025925|2.782947|2.317546|2.080790|3.647654|2.589937|1.733541|0.049503|1.542687|1.529338|9.526896|1.334436|1.684833|3.125888|2.784804|6.081410|4.780904|4.835686|3.658876|3.254876|4.803270|3.640606|4.790665|6.629968|7.280134|0.161983|0.140308|0.241301|0.174106|0.216531|0.305566|0.500000| |4.620070|5.648370|4.169768|3.765949|4.347610|0.119993|6.271604|0.184684|8.725050|0.224248|17.556101|8.635272|5.825760|0.149797|7.468483|3.620067|6.643346|2.874001|2.469558|2.115008|3.718156|2.565196|1.666999|0.046440|1.543292|1.587023|10.089609|1.460771|1.559073|2.880695|2.541728|5.088548|3.987098|3.530224|3.051673|2.602740|4.142646|2.507326|2.954900|3.416277|2.861227|0.105649|0.139753|0.114347|0.114375|0.096920|0.088147|0.096828|0.500000| |6.422225|6.572070|4.413002|4.035301|4.397692|0.111245|6.556717|0.164181|8.719134|0.175305|17.572391|8.715234|6.034936|0.136133|8.201526|3.727523|6.360063|3.053983|2.530584|2.206789|3.966232|2.639965|1.727804|0.048855|1.589717|1.645741|10.379970|1.512752|1.602721|2.928897|2.623006|6.382062|4.431253|3.615750|3.017173|2.523966|3.983019|2.444516|2.865229|3.492144|3.080765|0.135767|0.225412|0.156111|0.110901|0.104977|0.091455|0.110667|0.303696|0.500000| |4.616788|5.717332|4.187073|3.365864|3.419675|0.096415|4.148438|0.110806|6.073007|0.171443|8.635106|17.610053|8.755238|0.225963|11.240724|5.859307|11.753843|4.108208|3.451939|2.779496|4.810552|3.269331|2.050020|0.056544|1.882958|1.948357|12.135850|1.755186|1.878333|3.491097|3.002156|3.502562|2.825059|2.619213|2.305962|2.068249|3.336331|2.071312|2.429229|2.701277|2.390241|0.115914|0.138273|0.104846|0.118418|0.103579|0.081295|0.086696|0.222158|0.178980|0.500000| |6.166463|6.369269|4.279662|3.469308|3.386272|0.090180|4.176872|0.105257|5.934204|0.143230|8.680192|17.577120|8.811391|0.176957|13.368968|6.065104|10.030896|4.547268|3.549342|2.950536|5.315831|3.378874|2.139671|0.060315|1.951171|2.045940|12.597048|1.844552|1.930743|3.526628|3.101973|3.828554|2.962195|2.637498|2.282085|2.017621|3.239154|2.018940|2.352472|2.706855|2.483593|0.153405|0.213262|0.130860|0.110901|0.109584|0.082036|0.094070|0.182332|0.226553|0.303815|0.500000| |4.004587|3.827326|3.349140|2.694118|2.393682|0.064807|2.537816|0.064124|3.094192|0.082138|3.249572|4.257779|4.783947|0.118133|12.779185|9.036688|11.192854|17.574867|8.873880|7.145643|13.561118|6.573591|3.796344|0.109951|3.199019|3.375664|18.585288|2.637984|3.134011|5.598805|4.798560|2.389649|2.005179|1.888054|1.678618|1.555982|2.532973|1.610734|1.840019|2.021613|1.972322|0.130407|0.112838|0.092411|0.088593|0.100544|0.068861|0.074673|0.079287|0.087125|0.111399|0.133485|0.500000| |4.135107|4.109081|3.907764|3.036453|2.583143|0.070386|2.622857|0.065498|3.167309|0.085625|3.096604|3.893439|4.930237|0.127595|13.578861|9.022092|10.787416|17.559325|8.790280|6.779872|10.803317|6.975198|3.983024|0.114392|3.153530|3.091568|17.072595|2.317044|3.505867|6.537916|5.265983|2.419548|2.038861|1.962989|1.737082|1.628798|2.636038|1.718620|1.986478|2.162600|2.126612|0.140519|0.107294|0.096712|0.104039|0.125332|0.079180|0.083297|0.075414|0.081254|0.100789|0.112445|0.305477|0.500000| |2.868738|3.058825|2.978660|2.409326|2.155333|0.060814|2.180648|0.056559|2.594563|0.073707|2.590769|3.220392|3.767026|0.108607|8.490284|6.726131|11.445486|8.819250|17.584513|8.777226|10.427808|10.310279|4.843335|0.121235|3.857754|3.611708|19.719719|2.562221|4.256446|8.603757|5.963285|1.980127|1.723285|1.689127|1.530842|1.458492|2.393411|1.533144|1.747785|1.838806|1.771632|0.088276|0.076643|0.069697|0.085382|0.089570|0.064483|0.064153|0.066408|0.066631|0.091089|0.089696|0.173584|0.211593|0.500000| |2.851450|2.979839|2.740828|2.248716|2.063770|0.057799|2.157017|0.056377|2.593291|0.072685|2.724043|3.493582|3.781405|0.105158|8.454925|6.977550|12.584964|8.881288|17.561037|8.972469|12.196050|8.711474|4.365465|0.112240|3.823159|3.961392|21.674988|2.960442|3.548467|6.604437|5.197238|1.982802|1.717798|1.655317|1.503211|1.417078|2.333833|1.466675|1.660306|1.765397|1.690999|0.086208|0.079371|0.068557|0.077304|0.079840|0.059034|0.060416|0.070213|0.070739|0.101337|0.101307|0.209955|0.173306|0.303719|0.500000| |2.271275|2.330759|2.318748|1.971671|1.772501|0.049656|1.772964|0.046280|2.025526|0.056927|2.015879|2.377773|2.671786|0.075463|5.708997|3.897669|6.589719|5.031331|7.480911|9.423208|10.829358|25.892718|9.399652|0.190110|6.171042|4.860562|24.672109|2.930267|8.095225|17.119542|9.481767|1.650085|1.466614|1.441982|1.322118|1.270942|2.103365|1.336385|1.495382|1.559964|1.531161|0.069816|0.061036|0.057108|0.065452|0.070098|0.053692|0.053443|0.052301|0.053141|0.066513|0.067201|0.121208|0.138607|0.240171|0.167448|0.500000| |1.687469|1.664815|1.636968|1.463496|1.343416|0.037164|1.354397|0.035690|1.495666|0.041328|1.512694|1.712323|1.822222|0.050123|3.714171|2.333478|3.965237|2.805306|3.340627|4.412550|7.652797|7.650230|8.988846|0.214702|17.600178|8.834943|46.233191|4.240089|7.179873|9.080252|13.321294|1.302256|1.181283|1.152058|1.070408|1.030450|1.724925|1.071186|1.169807|1.221059|1.217384|0.051038|0.046428|0.043689|0.045250|0.048624|0.039894|0.040542|0.039742|0.041046|0.047580|0.049433|0.077502|0.077456|0.089963|0.087758|0.135579|0.500000| |1.740693|1.749696|1.714519|1.515762|1.398458|0.039002|1.414092|0.037421|1.578090|0.044028|1.603345|1.837655|1.954203|0.054449|3.978748|2.575213|4.483525|3.073290|3.917034|5.066999|8.035799|9.513369|8.874333|0.174249|17.522364|8.858445|45.946575|4.252450|6.902297|10.133638|10.383909|1.343998|1.215941|1.188983|1.105146|1.064265|1.781377|1.105732|1.212699|1.260994|1.243410|0.052306|0.047911|0.044653|0.047972|0.050586|0.041250|0.041546|0.042329|0.043059|0.051808|0.052695|0.082843|0.082337|0.107705|0.105918|0.173720|0.302622|0.500000| |1.962553|1.938396|1.837275|1.611206|1.492930|0.041280|1.541645|0.040665|1.743441|0.048010|1.816856|2.124164|2.204821|0.060018|4.576658|3.004408|5.156638|3.705470|4.713191|6.595772|12.359376|9.207342|6.708777|0.167932|8.803662|17.625774|56.567784|6.601789|4.440338|6.920526|6.869744|1.476761|1.320302|1.271001|1.174373|1.117028|1.864504|1.150204|1.265517|1.335688|1.313303|0.059138|0.055184|0.049673|0.050732|0.053836|0.043088|0.044459|0.047673|0.049242|0.059857|0.062635|0.106847|0.093982|0.114532|0.135467|0.144933|0.173175|0.212302|0.500000| |1.896506|1.833115|1.750182|1.554772|1.431480|0.039249|1.470484|0.038599|1.640619|0.044734|1.694772|1.945647|2.030005|0.054605|4.210566|2.654656|4.430970|3.287406|3.825458|5.381477|11.286684|7.559247|6.818626|0.206098|8.824097|17.596330|56.417900|6.519709|4.526906|6.575732|7.559593|1.427052|1.280392|1.229935|1.136101|1.080932|1.804445|1.114428|1.220532|1.292599|1.286901|0.057636|0.053214|0.048577|0.047733|0.051722|0.041699|0.043406|0.044224|0.046482|0.053811|0.057638|0.096935|0.087593|0.094421|0.103218|0.121230|0.210399|0.173461|0.302993|0.500000| |1.692155|1.659422|1.552651|1.390419|1.315168|0.036278|1.375437|0.036680|1.535823|0.042103|1.631382|1.867185|1.860984|0.050355|3.714581|2.349004|4.120823|2.681064|3.074704|3.606781|7.038700|4.754675|3.520962|0.095198|4.330717|6.425329|55.943177|17.581085|2.793472|4.519504|4.660450|1.335092|1.206174|1.152764|1.074237|1.019013|1.712994|1.037059|1.128193|1.191452|1.169156|0.049857|0.048496|0.043312|0.042743|0.044641|0.037029|0.038521|0.043435|0.044809|0.053002|0.055514|0.079502|0.068100|0.076541|0.092192|0.084481|0.107114|0.115168|0.199108|0.164133|0.500000| |1.650487|1.592357|1.498760|1.353549|1.272602|0.034870|1.324626|0.035153|1.464636|0.039843|1.542410|1.743739|1.752637|0.047020|3.511669|2.170070|3.720204|2.509349|2.780889|3.360455|6.831421|4.464083|3.526292|0.100628|4.317277|6.426232|55.951025|17.581698|2.804886|4.404108|4.842623|1.298852|1.176165|1.122152|1.044932|0.991408|1.666094|1.010458|1.095765|1.160619|1.150521|0.048982|0.047198|0.042610|0.040886|0.043402|0.036125|0.037835|0.040806|0.042745|0.048695|0.052011|0.075242|0.065531|0.069454|0.079763|0.078694|0.113976|0.107072|0.166604|0.196399|0.299952|0.500000| |1.480040|1.448170|1.369717|1.242860|1.178702|0.032499|1.225083|0.032765|1.349292|0.037003|1.421161|1.595634|1.594690|0.043282|3.139431|1.944644|3.407870|2.186360|2.450878|2.839924|5.444247|3.885904|3.023489|0.082549|3.782514|5.086710|56.968049|17.583870|2.519734|4.040655|4.367100|1.195884|1.091197|1.046349|0.980494|0.934156|1.576681|0.950394|1.026448|1.079191|1.064311|0.043440|0.042229|0.038343|0.037695|0.039376|0.033296|0.034528|0.037999|0.039182|0.045072|0.047053|0.064047|0.056955|0.062763|0.071516|0.070844|0.100996|0.101106|0.135835|0.134771|0.300479|0.300508|0.500000| |6.529099|5.740357|5.091085|6.349792|7.006980|0.141229|8.784271|0.175653|6.267293|0.133628|5.025895|3.927874|4.034271|0.098648|6.145542|2.793610|4.596223|2.475459|2.080044|1.883962|3.374849|2.320944|1.561105|0.044648|1.419472|1.437179|9.079833|1.298146|1.489804|2.724166|2.476423|17.600847|8.808112|6.233290|4.397399|3.460668|5.130561|3.434215|4.136218|6.188539|6.081704|0.138073|0.167541|0.249284|0.115607|0.121522|0.134709|0.212320|0.118609|0.154702|0.091078|0.103638|0.069114|0.070826|0.056217|0.055808|0.047165|0.037302|0.038213|0.041973|0.040929|0.037658|0.036924|0.033766|0.500000| |5.489645|5.184972|4.165182|4.554435|5.471932|0.124433|8.754383|0.208011|6.722807|0.140570|6.497955|4.447108|4.045150|0.098668|5.955602|2.766385|4.671465|2.406147|2.042978|1.838597|3.305107|2.253413|1.508699|0.042907|1.388610|1.421226|9.050721|1.308206|1.426098|2.601745|2.365978|17.570985|8.850936|5.544013|4.245240|3.254995|4.975593|3.048050|3.539634|4.784390|4.224259|0.116947|0.164127|0.169479|0.101423|0.098843|0.101908|0.132919|0.158479|0.227226|0.103433|0.117255|0.067924|0.066734|0.054775|0.055981|0.045608|0.036350|0.037539|0.041802|0.040326|0.038212|0.037108|0.034127|0.305095|0.500000| |3.621964|3.478043|3.319624|4.103867|5.034960|0.113365|5.612807|0.147358|4.003887|0.096811|3.536271|2.825396|2.789717|0.072109|4.357126|2.104929|3.572510|1.903153|1.663345|1.530561|2.738899|1.919392|1.308901|0.037256|1.208161|1.222751|7.865801|1.126371|1.259957|2.298679|2.115857|8.787678|17.519438|8.941484|6.594070|4.517769|6.642661|3.997055|4.261239|6.079485|5.994005|0.085583|0.098561|0.118706|0.082831|0.082030|0.099826|0.124168|0.093128|0.106670|0.069892|0.074912|0.053095|0.053931|0.045306|0.045140|0.039097|0.031996|0.032700|0.035488|0.034703|0.032542|0.031955|0.029581|0.224846|0.199301|0.500000| |3.447598|3.522901|3.240683|3.793328|5.025714|0.120475|6.416893|0.199366|4.460872|0.109826|4.093623|3.089672|2.919597|0.076460|4.414148|2.154023|3.734441|1.907990|1.679052|1.527516|2.720268|1.912472|1.294605|0.036581|1.201820|1.220528|7.882960|1.132661|1.241727|2.273104|2.076001|8.817955|17.560052|8.970690|7.343680|4.687615|7.038993|3.880320|4.180684|5.525561|4.553645|0.080526|0.096441|0.105687|0.083761|0.078048|0.091757|0.106460|0.114215|0.122118|0.077648|0.080115|0.053060|0.053157|0.045779|0.046139|0.039027|0.031689|0.032713|0.035640|0.034434|0.032908|0.031971|0.029795|0.176102|0.227026|0.304626|0.500000| 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