Version2.0 2020-07-18T00:28:24Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(o1)[C@@H](C(=O)NC2CCCC2)N(c3ccc4c(c3)OCO4)C(=O)c5c(c(ns5)C(=O)N)N C12714674 RHF 6-31G(d) (6D,7F) Cc1ccc(o1)[C@@H](C(=O)NC2CCCC2)N(c3ccc4c(c3)OCO4)C(=O)c5c(c(ns5)C(=O)N)N C01[X(C24H25N5O6S1)] 177 C1 594 O=C([C@@H](N(C(=O)c1snc(c1N)C(=O)N)c1ccc2c(c1)OCO2)c1ccc(o1)C)NC1CCCC1 O=C([C@@H](N(C(=O)c1snc(c1N)C(=O)N)c1ccc2c(c1)OCO2)c1ccc(o1)C)NC1CCCC1 Cc1oc(cc1)[C@H](N(C(=O)c2snc(C(N)=O)c2N)c3ccc4OCOc4c3)C(=O)NC5CCCC5 InChIKey=URLKUOVKACRZCX-FQEVSTJZSA-N InChI=1S/C24H25N5O6S/c1-12-6-8-16(35-12)20(23(31)27-13-4-2-3-5-13)29(14-7-9-15-17(10-14)34-11-33-15)24(32)21-18(25)19(22(26)30)28-36-21/h6-10,13,20H,2-5,11,25H2,1H3,(H2,26,30)(H,27,31)/t20-/m0/s1 InChI=1/C24H25N5O6S/c1-12-6-8-16(35-12)20(23(31)27-13-4-2-3-5-13)29(14-7-9-15-17(10-14)34-11-33-15)24(32)21-18(25)19(22(26)30)28-36-21/h6-10,13,20H,2-5,11,25H2,1H3,(H2,26,30)(H,27,31)/t20-/m0/s1/f/h27H,26H2 Cc1ccc(o1)[C@@H](C(=O)NC2CCCC2)N(c3ccc4c(c3)OCO4)C(=O)c5c(c(ns5)C(=O)N)N C01[X(C24H25N5O6S1)] 177 C01 594 O=C([C@@H](N(C(=O)c1snc(c1N)C(=O)N)c1ccc2c(c1)OCO2)c1ccc(o1)C)NC1CCCC1 O=[C]([NH]C1CCCC1)[C@@H](N(C(=O)[C]1[C]([NH2])[C]([N]S1)[C]([NH2])=O)[C]1[CH][CH][C]2[C]([CH]1)OCO2)C1=[CH][CH]=C(O1)C Cc1oc(cc1)[C@H](N([C]2[CH][CH][C]3OCO[C]3[CH]2)C(=O)[C]4S[N][C]([C]4N)C(N)=O)C(=O)NC5CCCC5 InChIKey=URLKUOVKACRZCX-FQEVSTJZSA-N InChI=1S/C24H25N5O6S/c1-12-6-8-16(35-12)20(23(31)27-13-4-2-3-5-13)29(14-7-9-15-17(10-14)34-11-33-15)24(32)21-18(25)19(22(26)30)28-36-21/h6-10,13,20H,2-5,11,25H2,1H3,(H2,26,30)(H,27,31)/t20-/m0/s1 InChI=1/C24H25N5O6S/c1-12-6-8-16(35-12)20(23(31)27-13-4-2-3-5-13)29(14-7-9-15-17(10-14)34-11-33-15)24(32)21-18(25)19(22(26)30)28-36-21/h6-10,13,20H,2-5,11,25H2,1H3,(H2,26,30)(H,27,31)/t20-/m0/s1/f/h27H,26H2 4237.7973554584 -2042.3091014 1-A 19073.0929 134 460 594 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.00670 -20.63908 -20.60719 -20.60515 -20.53895 -20.53506 -20.52765 -15.61949 -15.60380 -15.59017 -15.58783 -15.55720 -11.36915 -11.36769 -11.35655 -11.35289 -11.30531 -11.30356 -11.30202 -11.30129 -11.30009 -11.29752 -11.29635 -11.27525 -11.26338 -11.26145 -11.24218 -11.24201 -11.23915 -11.23892 -11.23835 -11.23196 -11.22447 -11.22219 -11.22025 -11.21802 -9.01330 -6.69604 -6.69432 -6.69267 -1.49465 -1.48326 -1.40871 -1.40675 -1.39792 -1.38279 -1.31245 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1372.8913 1384.1624 1402.7932 1414.4956 1433.4635 1442.3815 1449.0651 1458.3522 1475.1670 1476.0375 1482.4673 1494.7041 1516.1455 1525.9148 1542.2497 1553.5452 1570.7195 1584.4290 1598.3749 1605.9853 1618.1368 1628.3392 1630.2567 1634.6447 1645.0184 1645.6283 1671.6597 1672.7039 1712.1227 1730.4865 1747.1162 1755.9582 1785.2666 1815.5715 1817.5044 1822.6985 1831.8627 1906.9634 1941.9524 1960.2379 3188.0338 3198.0323 3211.8647 3218.8268 3234.7948 3248.2649 3249.2347 3260.2939 3268.4023 3275.1709 3281.7408 3301.2497 3308.2165 3322.9207 3338.6429 3399.2622 3422.8194 3426.6703 3438.0931 3455.8314 3821.9356 3843.2429 3874.6313 3944.9157 3976.8144 2.5544 6.1499 6.0471 4.3563 6.4621 2.8778 3.1669 4.4053 5.6623 4.4631 6.3441 6.5361 7.7553 4.6707 5.3598 2.8311 4.4780 2.2436 2.0344 3.1713 7.3436 6.8027 4.9339 6.4774 7.3094 3.5729 5.4177 5.1537 2.4420 4.0000 1.8312 5.2516 5.2791 5.7058 4.8948 5.3150 6.4918 6.1290 8.0501 2.6987 4.0893 4.3645 4.0966 1.6693 3.6372 2.8363 1.2923 3.6869 1.8792 2.2287 2.0537 2.8066 3.1171 2.7085 3.2997 4.5898 4.4087 5.1940 4.7054 5.2489 5.0935 4.1731 6.7486 2.8352 6.8766 1.9836 6.3046 6.1775 1.6065 6.6931 6.5362 2.7914 1.5977 1.6351 3.0873 10.1901 2.5245 2.3283 1.6655 2.0662 2.4104 2.4054 2.8097 2.7091 1.2614 1.3717 2.7232 1.8365 1.8057 2.4659 6.8064 2.3218 3.1200 1.4972 5.2728 4.1275 2.2977 2.7819 3.0294 1.6822 1.7797 2.8058 2.1320 3.1713 3.1063 2.8194 1.4681 1.6284 1.5136 1.2180 1.4746 2.2084 4.6041 1.1625 2.0717 1.5577 1.3255 2.2073 1.5134 1.4400 3.1729 1.4304 1.4097 1.3834 2.9742 2.9812 1.5755 2.0538 1.3290 1.4512 4.9629 3.4574 1.0464 7.9633 1.0823 1.0931 1.0980 1.1006 1.1717 2.8607 1.1367 1.9454 7.9180 3.6023 1.3185 1.5885 6.9583 6.2805 7.1271 11.0344 9.4120 8.4429 1.0720 1.0728 1.0376 1.0646 1.0668 1.0646 1.0991 1.0960 1.1027 1.1013 1.0980 1.1024 1.0895 1.0837 1.1083 1.0924 1.0944 1.0952 1.0968 1.1010 1.0461 1.0457 1.0783 1.1048 1.1075 0.0001 0.0009 0.0021 0.0021 0.0032 0.0025 0.0029 0.0050 0.0095 0.0090 0.0132 0.0160 0.0306 0.0230 0.0367 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6.5769 6.6179 6.8366 6.8639 6.9401 6.9602 6.9674 7.0785 7.0254 7.0499 7.2784 7.4368 7.5541 7.5767 7.6388 7.7472 9.0034 9.1000 9.5374 10.1302 10.3196 0.0742 0.0713 0.4969 1.9541 0.2571 0.3578 1.1532 0.2696 0.3655 0.7387 0.8256 1.7692 4.0441 1.1657 3.4860 4.8080 1.1641 0.8063 1.8889 1.2020 5.1386 5.1481 4.5794 3.7378 7.4620 8.7896 14.1471 4.9646 103.1851 12.0738 151.5907 16.2324 1.7747 4.3873 0.8647 3.5640 2.6222 7.6513 10.6579 3.8980 2.9047 2.2117 15.5457 204.9414 28.1078 106.9822 43.8973 50.6267 69.4896 67.5648 10.6951 19.9710 8.5274 0.8553 1.1155 20.3818 1.9467 2.6007 65.3754 7.2755 6.5077 10.0807 4.5767 45.4471 3.1449 32.9462 4.7514 12.3358 3.3315 35.7780 20.4455 17.8989 45.3822 40.4690 0.4140 29.6508 11.9136 2.1786 21.6775 9.8328 8.2472 6.0677 6.7924 18.6259 1.2587 3.1661 7.7457 1.3214 22.1829 15.2636 60.1685 4.9811 5.0739 2.0833 104.4512 86.0655 29.2484 19.8223 11.6035 13.0513 44.4666 104.5962 113.3516 70.0791 158.6933 15.7140 1.2613 7.4900 22.7838 11.7262 43.0880 70.8529 66.5147 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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 1.00783 12540.1682 27222.0208 29360.6635 0.99987 0.00646 -0.01457 -0.00625 0.99988 0.01448 0.01467 -0.01439 0.99979 1 0.00691 0.00318 0.00295 0.14392 0.06630 0.06147 11.96 22.95 35.18 40.83 41.42 54.75 57.14 63.39 76.59 84.12 85.47 92.64 117.70 131.67 155.17 162.82 192.71 206.32 222.23 236.57 264.78 283.05 300.97 321.89 356.34 380.50 393.36 400.65 420.65 440.67 454.25 482.52 528.71 553.44 584.74 608.64 625.71 637.19 646.31 692.61 695.27 715.84 757.15 763.60 779.46 806.51 818.71 830.71 853.11 868.54 916.27 934.12 946.11 973.82 995.18 1000.79 1009.76 1028.04 1049.88 1074.05 1080.63 1137.64 1150.99 1162.39 1185.37 1218.92 1230.32 1274.07 1277.95 1280.88 1297.75 1313.12 1322.64 1343.48 1357.86 1363.78 1390.15 1399.17 1426.25 1440.16 1470.35 1483.82 1488.43 1526.42 1531.88 1535.30 1547.86 1573.36 1606.98 1629.24 1629.59 1633.64 1647.04 1691.59 1699.83 1712.08 1736.35 1738.22 1746.33 1750.00 1811.95 1829.41 1833.33 1863.15 1875.63 1898.75 1903.35 1910.94 1927.12 1939.95 1951.20 1965.15 1975.28 1991.50 2018.31 2035.14 2062.43 2075.27 2084.88 2098.24 2122.44 2123.69 2132.94 2150.55 2181.40 2195.45 2218.95 2235.21 2259.92 2279.64 2299.70 2310.65 2328.14 2342.82 2345.58 2351.89 2366.81 2367.69 2405.15 2406.65 2463.36 2489.78 2513.71 2526.43 2568.60 2612.20 2614.98 2622.46 2635.64 2743.70 2794.04 2820.35 4586.87 4601.26 4621.16 4631.17 4654.15 4673.53 4674.92 4690.84 4702.50 4712.24 4721.69 4749.76 4759.79 4780.94 4803.56 4890.78 4924.67 4930.21 4946.65 4972.17 5498.91 5529.57 5574.73 5675.85 5721.75 0.516552 0.548225 0.549169 0.446958 -2041.792549 -2041.760876 -2041.759932 -2041.862143 3.428174D-04 MUNgauss RevisionA2.0 retrievium 18-Jul-2020 DUDE Cc1ccc(o1)[C@@H](C(=O)NC2CCCC2)N(c3ccc4c(c3)OCO4)C(=O)c5c(c(ns5)C(=O)N)N C12714674 RHF 6-31G(d) (6D,10F) C1 511.152556 |X|Y|Z| 64.236624 55.148798 109.111561 72.844457 29 6 7 8 16 22 3 3 1 |36.858105| |12.789824|36.858105| |7.322031|14.222361|36.858105| |5.141534|8.565622|13.223191|36.858105| |5.326057|8.700849|8.554140|14.186468|36.858105| |7.881090|14.111373|8.663776|8.663167|14.113798|73.516695| |3.936528|5.307226|5.114248|7.253315|12.611273|13.948809|36.858105| |3.675807|4.775921|4.621255|6.200707|9.037820|11.730654|17.678468|0.500000| |3.102032|3.986825|4.164708|5.923069|7.330251|8.950760|12.313007|0.256785|36.858105| |2.660629|3.268333|3.367473|4.443606|5.228955|7.108318|8.084240|0.218196|15.856856|73.516695| |3.028361|3.900664|4.294762|6.160533|6.543563|8.175993|7.676269|0.165158|14.197139|15.056641|53.358707| |2.486908|3.049068|3.362054|4.389508|4.386912|6.069622|4.938568|0.118584|7.741900|11.974566|17.877368|36.858105| |2.370884|2.883476|3.311801|4.189648|3.826807|5.439296|3.909260|0.097526|5.232284|8.262987|10.419807|12.434807|36.858105| |2.016715|2.366413|2.638802|3.147099|2.965182|4.430939|3.071478|0.078096|3.925855|6.627181|6.934736|7.855873|12.372532|36.858105| |1.978663|2.297163|2.481660|2.935011|2.897913|4.393452|3.102513|0.077634|3.997596|6.853018|6.924103|7.892206|7.714305|12.250620|36.858105| |2.283580|2.706243|2.892701|3.534452|3.615679|5.339825|3.997120|0.095733|5.463508|8.883588|10.314571|12.432470|7.947209|7.720811|12.392027|36.858105| |3.780853|4.657234|4.137105|5.048200|7.690928|12.274155|13.037522|0.257763|7.742455|11.282581|7.724658|4.119302|3.259232|2.715825|2.865969|3.696337|53.358707| |3.467929|4.117377|3.725087|4.389749|5.950653|9.863437|7.668254|0.158245|6.503654|9.537322|7.688149|4.283238|3.330922|2.845485|3.132134|4.191092|18.025860|36.858105| |3.915839|4.499381|3.925895|4.313722|5.560358|10.314481|5.767078|0.124664|4.854018|7.123391|6.410640|3.709779|3.071954|2.655580|2.892514|3.747914|10.666950|13.823167|36.858105| |3.276254|3.596736|3.270960|3.497763|4.106250|7.469220|4.179079|0.095385|3.898595|5.964419|5.477266|3.431785|2.906686|2.612502|2.924283|3.726701|6.951798|7.861839|13.586917|36.858105| |2.691927|2.968003|2.795818|3.066926|3.525082|6.102811|3.797257|0.088454|3.826363|6.083384|5.418435|3.592736|2.967648|2.754644|3.230524|4.169369|6.216030|6.970016|8.085813|13.970053|36.858105| |2.532245|2.849605|2.719412|3.092644|3.618423|6.006073|4.217065|0.098405|4.495492|7.394884|6.121978|4.101988|3.195749|2.965110|3.570723|4.800415|7.052575|8.093333|6.986703|7.935484|13.768266|36.858105| |2.771230|3.206505|3.034610|3.573683|4.423172|7.109100|5.717601|0.129129|6.042812|9.868669|7.401148|4.566509|3.404034|3.022938|3.509660|4.822790|10.553338|13.565754|7.862654|6.728230|7.919801|13.989778|36.858105| |2.149504|2.382729|2.314169|2.604537|2.933617|4.864354|3.363663|0.081819|3.717142|6.432386|5.159344|3.755999|2.994828|2.925186|3.665571|4.659694|5.291505|5.197351|4.682966|5.400933|8.536687|14.016469|7.766190|73.516695| |2.053045|2.226708|2.154819|2.357343|2.602721|4.433472|2.846919|0.069857|3.036351|5.166633|4.304379|3.141162|2.647160|2.627830|3.230880|3.871819|4.415225|4.229613|4.230526|5.369174|8.615714|8.614747|5.374041|24.082558|36.858105| |2.313135|2.497846|2.392193|2.579587|2.853006|4.950540|3.017628|0.072647|3.112944|5.098204|4.486690|3.153905|2.699367|2.611597|3.114600|3.798199|4.707495|4.679594|5.196668|7.756387|14.048424|8.537881|5.400425|14.941568|13.519692|73.516695| |3.352790|3.850652|3.386698|3.894403|5.336591|9.388555|7.633731|0.209227|5.507565|9.398539|5.686635|3.320915|2.710772|2.335572|2.464904|3.043754|18.812333|7.950935|5.659994|4.143283|3.845278|4.384358|6.135767|6.205349|2.946408|5.422029|36.858105| |2.906462|3.205848|2.849963|3.190539|4.102398|7.341455|5.366919|0.144206|4.465279|7.939011|4.896022|3.009782|2.466477|2.187310|2.356475|2.879825|11.550903|7.179014|5.311476|4.160586|4.020359|4.684657|6.368939|6.717195|3.174766|5.720039|15.850802|73.516695| |3.345392|3.774468|3.319221|3.725783|4.894290|8.842935|6.356969|0.212326|4.621297|8.159013|4.854003|2.902761|2.463631|2.123287|2.180750|2.599357|10.419525|5.047565|4.121149|3.207708|2.973872|3.275827|4.195233|4.900927|2.396837|4.390184|12.821939|14.626879|36.858105| |2.754174|3.001702|2.711538|2.986742|3.659245|6.547847|4.519359|0.148347|3.716442|6.942832|4.038170|2.532454|2.180011|1.921753|1.976437|2.299458|6.991042|3.894561|3.272279|2.695004|2.571656|2.846606|3.510205|4.426192|2.179606|3.910751|7.612014|11.903977|13.927277|36.858105| |2.710166|2.895466|2.629206|2.820823|3.324002|6.051037|3.815987|0.126891|3.171370|5.835052|3.558436|2.258660|2.002767|1.767667|1.785622|2.036613|5.441421|3.140322|2.767161|2.323147|2.197587|2.373511|2.825790|3.747601|1.883096|3.401179|5.119165|8.021207|8.297861|13.103128|36.858105| |3.138092|3.350869|3.002163|3.162357|3.713727|6.939771|4.046833|0.136480|3.233104|5.738146|3.664068|2.289450|2.058598|1.793864|1.788575|2.040567|5.510782|3.135694|2.829557|2.350154|2.179671|2.312614|2.737958|3.618690|1.833839|3.361965|4.844202|7.221043|7.726433|8.195632|14.847573|53.358707| |4.076594|4.582622|3.912154|4.185141|5.334172|10.397841|5.760447|0.198246|4.074478|6.839056|4.508737|2.686944|2.380380|2.026710|2.023146|2.365948|7.759460|4.052746|3.632728|2.870069|2.588172|2.730006|3.317656|4.137942|2.082707|3.887371|6.572977|8.703269|10.950848|7.490661|7.848061|15.843988|388.023441| |2.268620|2.376699|2.198822|2.329035|2.644641|4.783118|2.962635|0.095170|2.597871|4.847755|3.000841|1.961870|1.765408|1.585504|1.599864|1.790173|4.180879|2.551990|2.289873|1.983605|1.903153|2.047764|2.372482|3.310664|1.680813|3.006331|3.747742|6.271154|5.100466|7.287996|12.682259|10.764942|35.071943|36.858105| |2.041460|2.134452|1.986558|2.112845|2.390924|4.289796|2.708160|0.085101|2.440183|4.620364|2.836694|1.882046|1.686440|1.532981|1.561177|1.739343|3.895754|2.440189|2.180771|1.916050|1.864477|2.021045|2.323693|3.308439|1.678442|2.968638|3.510875|6.155360|4.461952|6.452260|8.063106|7.423290|28.313566|15.823334|73.516695| |2.203317|2.281295|2.127298|2.216106|2.454940|4.464394|2.654903|0.084739|2.342194|4.314569|2.758047|1.814313|1.662385|1.494395|1.491324|1.650819|3.640529|2.253549|2.063348|1.803421|1.721514|1.828825|2.088031|2.971442|1.524404|2.741204|3.112454|5.154843|4.070284|5.060419|7.939281|9.579353|31.227738|14.216430|15.093620|53.358707| |2.357540|2.546600|2.340529|2.581328|3.088054|5.434360|3.822627|0.119157|3.388794|6.561570|3.746641|2.423587|2.072558|1.864155|1.946874|2.249221|6.036331|3.636540|3.032283|2.579841|2.538728|2.867428|3.492723|4.566944|2.232454|3.914562|6.347373|11.929140|7.801559|14.073503|7.701672|7.232728|34.942662|6.245393|11.983351|5.934738|53.358707| |17.559522|8.936563|5.787871|4.479205|4.826975|12.473390|3.788386|0.102179|2.950540|4.598917|3.808067|2.315768|2.190371|1.877941|1.847839|2.121499|5.039985|3.288121|3.589920|2.990446|2.503582|2.394593|2.648260|3.636772|1.944113|3.838897|3.440502|5.287441|3.587859|2.969348|2.993402|4.845932|32.918024|2.488422|3.927002|3.314958|3.397625|0.500000| |17.552177|8.923965|5.804137|4.482174|4.819754|12.398279|3.738170|0.094716|2.989442|4.569163|4.007085|2.436644|2.300731|1.982261|1.975921|2.291890|5.155730|3.639133|4.343185|3.681409|2.931437|2.683366|2.885002|4.018177|2.187532|4.462034|3.356395|5.296629|3.227916|2.668639|2.571900|3.946646|26.391144|2.166448|3.512427|2.832219|3.161392|0.301759|0.500000| |17.598639|8.989261|6.840683|4.618687|4.421563|10.202933|3.350348|0.087963|2.763514|4.261661|3.750622|2.317505|2.264166|1.939951|1.881919|2.133923|4.304304|2.955896|3.303490|2.880561|2.415834|2.269020|2.442130|3.486426|1.889892|3.769746|2.833033|4.443553|2.844992|2.410487|2.403943|3.763202|24.345743|2.058292|3.307731|2.758490|2.849848|0.300589|0.300766|0.500000| |6.319231|8.834309|17.797053|8.447463|5.836360|10.473728|4.017031|0.103714|3.486751|5.177777|5.008155|3.036079|3.114532|2.524840|2.337131|2.647520|4.575528|3.112451|3.296499|2.870021|2.493417|2.409705|2.627286|3.722351|1.975082|3.884519|2.845968|4.367710|2.816661|2.373784|2.335622|3.608166|23.416023|1.997600|3.223457|2.664609|2.828780|0.140802|0.141504|0.189543|0.500000| |4.036247|5.845567|8.459355|17.812260|8.816850|10.473601|6.261455|0.155066|6.080304|8.226023|9.341311|5.035200|5.094320|3.616375|3.229070|3.824337|5.957427|3.913566|3.744513|3.165333|2.879678|2.952890|3.373909|4.525681|2.293260|4.389924|3.467872|5.162954|3.327964|2.754890|2.610542|3.914106|25.760328|2.196783|3.571938|2.856307|3.304704|0.100314|0.100263|0.105134|0.193792|0.500000| |3.402981|4.504563|5.057095|7.386880|7.521557|9.300842|7.356363|0.152143|9.477853|10.898213|26.058890|9.040111|6.876342|4.699260|4.652614|6.684463|7.639268|5.841266|5.300365|4.501452|4.241640|4.499531|5.217578|6.578089|3.193254|6.162779|4.031825|6.172547|3.434742|2.824095|2.514990|3.578629|23.393730|2.118065|3.542253|2.668814|3.528599|0.084965|0.092463|0.085790|0.118207|0.218958|0.500000| |2.299227|2.780016|3.020193|3.883828|3.967584|5.571580|4.704980|0.119238|7.580623|14.148192|12.715760|17.636237|8.843635|6.823671|6.893433|8.857853|5.382029|3.955831|3.330364|3.058122|3.236375|3.799068|4.331031|6.349077|2.942487|5.102580|3.317923|5.375679|2.946901|2.621583|2.331494|3.174045|19.077082|2.038279|3.495822|2.554217|3.457670|0.060501|0.062256|0.059498|0.076049|0.122464|0.180463|0.500000| |2.342086|2.856293|3.336437|4.245788|3.769118|5.330593|3.819825|0.098892|5.001281|8.131502|8.979848|8.697275|17.568307|8.635591|5.640523|5.658729|4.221574|3.044909|2.795617|2.599125|2.614721|2.812957|3.053100|4.678425|2.335956|4.224284|2.625911|4.205381|2.453361|2.185487|2.036777|2.867892|17.171181|1.801305|3.042270|2.326092|2.807175|0.060604|0.062154|0.062519|0.088087|0.149686|0.162451|0.216450|0.500000| |2.567891|3.149729|3.705724|4.635809|4.054594|5.800587|3.888359|0.095042|4.856130|7.299327|9.826179|8.861072|17.501875|8.771139|6.349408|6.885143|4.427156|3.370503|3.230278|3.078536|3.065940|3.181155|3.333988|5.206175|2.650175|4.947128|2.668341|4.301505|2.420200|2.119587|1.957474|2.768707|16.926476|1.719291|2.905803|2.213530|2.717306|0.064744|0.069349|0.068604|0.097869|0.157599|0.211068|0.174532|0.302320|0.500000| |1.867463|2.173415|2.411432|2.855203|2.704038|4.068722|2.838719|0.074033|3.606768|6.354846|5.974785|6.394468|8.774183|17.565915|8.723858|5.919970|3.418466|2.578125|2.381421|2.324224|2.450660|2.664320|2.747363|4.724249|2.381473|4.146634|2.206029|3.683770|2.036159|1.868384|1.729265|2.377554|13.822388|1.565015|2.698195|2.013115|2.480768|0.048811|0.050717|0.050012|0.064372|0.091039|0.109890|0.178417|0.221423|0.175728|0.500000| |1.954777|2.268388|2.542991|2.947024|2.728937|4.160866|2.741529|0.069862|3.340294|5.567211|5.774447|5.739369|8.725808|17.576542|8.643224|5.931675|3.335492|2.578996|2.473274|2.469464|2.577075|2.694189|2.696024|4.735826|2.465086|4.415306|2.120829|3.544739|1.941468|1.761437|1.634680|2.269827|13.355256|1.473652|2.530663|1.902967|2.320046|0.050300|0.053496|0.052807|0.068848|0.093405|0.114804|0.138174|0.190749|0.223873|0.304175|0.500000| |1.829094|2.103030|2.245904|2.638606|2.644262|4.045354|2.896305|0.073974|3.726119|6.728378|6.024838|6.517309|5.996037|8.733848|17.561085|8.799957|3.688817|2.924642|2.655045|2.671292|2.984905|3.381464|3.347543|6.371476|3.115177|5.161570|2.387312|4.103200|2.124871|1.955097|1.763225|2.379240|13.860923|1.592975|2.783974|2.015708|2.656187|0.047968|0.050673|0.048264|0.058737|0.079967|0.109562|0.184068|0.135668|0.135296|0.229367|0.180629|0.500000| |1.893247|2.165297|2.323209|2.674287|2.634361|4.091181|2.760649|0.069068|3.389449|5.751536|5.720819|5.716823|5.854594|8.636276|17.576757|8.716313|3.550607|2.899519|2.759700|2.878911|3.208152|3.429026|3.233434|6.405887|3.318622|5.706218|2.262507|3.888877|2.002345|1.821505|1.652357|2.254821|13.278136|1.488369|2.587924|1.894189|2.448183|0.048950|0.052977|0.050302|0.061371|0.080375|0.112435|0.138871|0.125468|0.150568|0.182495|0.223120|0.304039|0.500000| |2.441536|2.892860|3.087548|3.709271|3.768210|5.651833|3.971712|0.092913|5.043830|7.747681|9.693214|8.863569|6.924985|6.432597|8.768208|17.507804|5.087471|4.417011|4.178553|4.308048|4.775250|5.130265|4.891139|8.527115|4.175535|7.709399|3.020684|5.080231|2.558601|2.237983|1.988862|2.736684|16.772715|1.741813|2.996714|2.193431|2.952715|0.062085|0.068879|0.063399|0.078513|0.109211|0.202457|0.174592|0.139457|0.197353|0.135427|0.155026|0.175009|0.221439|0.500000| |2.203485|2.576199|2.678626|3.229240|3.440098|5.180684|3.976800|0.095780|5.382049|9.268803|8.883257|8.686374|5.652575|5.616846|8.647459|17.591177|5.276071|4.529232|3.895850|3.909169|4.626912|5.808362|5.733249|10.540434|4.539841|7.478986|3.246123|5.596910|2.709903|2.415090|2.102406|2.824090|17.003896|1.849364|3.223961|2.296904|3.274428|0.057481|0.061900|0.056715|0.067605|0.094210|0.157313|0.215956|0.124707|0.139060|0.133121|0.126289|0.220737|0.192622|0.302457|0.500000| |4.951327|5.621207|4.536703|4.711687|6.182329|13.232992|5.702904|0.125934|4.440395|6.493975|5.822945|3.347758|2.878594|2.465527|2.605522|3.268520|9.890464|8.998544|17.771446|8.878224|5.715777|5.015504|5.627188|6.590110|3.451320|7.400630|5.446698|8.666535|4.229841|3.299467|2.859467|4.089663|28.249645|2.345170|3.912609|2.905231|4.033703|0.123472|0.158902|0.110970|0.103538|0.108451|0.136273|0.083911|0.074227|0.085186|0.061824|0.064505|0.066445|0.069170|0.100461|0.091828|0.500000| |3.316593|3.502451|3.169531|3.247477|3.672288|6.911627|3.556377|0.083324|3.296352|5.092242|4.695738|3.007227|2.651722|2.409536|2.652877|3.251327|5.641766|5.603588|8.793190|17.748774|8.934973|5.637377|4.878805|7.762851|4.655950|12.158567|3.494387|6.212038|2.837866|2.419809|2.133084|2.963924|18.692050|1.841534|3.156899|2.304424|3.141249|0.083016|0.106552|0.082102|0.078771|0.081512|0.108273|0.074530|0.066360|0.079164|0.059666|0.064466|0.067172|0.073791|0.104947|0.092454|0.212081|0.500000| |2.533240|2.930629|2.817351|3.358269|4.095171|6.433894|5.582829|0.133531|6.393119|11.795742|7.285388|4.680263|3.411766|3.054825|3.549615|4.784541|9.634816|8.804961|5.609457|4.880653|5.628798|8.924343|17.773352|12.152977|4.656934|7.759197|6.194678|11.579283|4.342558|3.747102|2.962208|3.821600|23.597563|2.498891|4.395290|2.961431|5.236726|0.068220|0.071899|0.062562|0.068290|0.090112|0.133006|0.131391|0.086293|0.089732|0.078774|0.074404|0.097195|0.088776|0.125621|0.163676|0.123895|0.106334|0.500000| |1.940292|2.071836|1.985021|2.145763|2.376409|4.115591|2.600689|0.064909|2.714253|4.688830|3.751602|2.714181|2.319498|2.300653|2.758855|3.214253|4.085068|3.800175|3.802230|4.684152|6.738679|6.738933|4.687052|16.566948|17.586339|16.565249|2.824332|5.548084|2.318099|2.140251|1.848551|2.431084|14.245671|1.663536|2.976362|2.048505|3.022773|0.051552|0.057568|0.049629|0.050695|0.057691|0.076941|0.071944|0.057858|0.064300|0.058839|0.060218|0.075098|0.078227|0.094161|0.103102|0.088271|0.116372|0.116383|0.500000| |1.905629|2.067821|2.032224|2.220720|2.398735|4.050007|2.590861|0.064113|2.816848|4.820218|4.085529|3.094214|2.663020|2.726944|3.427131|3.940495|3.880511|3.573349|3.573434|4.397039|6.286049|6.281846|4.399662|16.604800|17.673369|16.595024|2.587656|4.866225|2.156629|1.976516|1.730339|2.301642|13.543663|1.557508|2.764778|1.936985|2.750551|0.049998|0.056011|0.049270|0.052312|0.060849|0.083932|0.080396|0.064824|0.073898|0.068512|0.071701|0.092108|0.101017|0.117956|0.126967|0.083497|0.110539|0.110520|0.297061|0.500000| |2.380007|2.457234|2.286312|2.357970|2.596027|4.761552|2.748985|0.088242|2.389891|4.338090|2.824071|1.843370|1.700802|1.517804|1.503653|1.665863|3.702878|2.274831|2.100841|1.826150|1.726879|1.820932|2.079006|2.941054|1.513082|2.741983|3.105131|5.030634|4.094018|4.766740|7.487713|11.054201|34.330317|9.335845|10.823665|26.097292|5.346383|0.073955|0.061615|0.060893|0.058494|0.061675|0.056129|0.052633|0.048764|0.046466|0.041625|0.039545|0.041241|0.038974|0.045360|0.046946|0.061053|0.047804|0.059644|0.041300|0.039283|0.500000| |1.986229|2.041882|1.918387|1.989739|2.177314|3.948043|2.340252|0.073501|2.104346|3.889117|2.509419|1.671779|1.541408|1.398311|1.396041|1.532117|3.213860|2.030745|1.871805|1.657498|1.591955|1.687575|1.904596|2.769160|1.428229|2.558053|2.712117|4.579273|3.395172|4.139472|5.745689|7.011127|25.415478|9.464494|13.633476|26.077359|5.161175|0.060548|0.052403|0.051242|0.049507|0.052735|0.049568|0.048097|0.044009|0.041846|0.038578|0.036449|0.038642|0.036310|0.041513|0.043528|0.053535|0.043420|0.055153|0.039310|0.037183|0.307172|0.500000| |2.349112|2.536391|2.322695|2.567433|3.096848|5.455150|3.876394|0.115678|3.477703|6.703965|3.863967|2.503759|2.113531|1.911933|2.027945|2.366429|6.482014|4.045176|3.312954|2.827441|2.817546|3.234423|3.976883|5.126956|2.479765|4.314302|7.042173|15.537173|7.147521|9.506223|5.734786|6.008838|31.473011|4.761041|9.088062|4.874368|26.063696|0.068293|0.065251|0.057768|0.057168|0.066955|0.074377|0.072530|0.057685|0.056606|0.051620|0.048492|0.056499|0.052201|0.063566|0.071346|0.088018|0.069419|0.122724|0.069027|0.061570|0.091708|0.088570|0.500000| 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