Version2.0 2020-04-08T01:00:21Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 29-Feb-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@H]([C@H](C)c2ccccc2)N(c3cccc(c3)Cl)C(=O)C(=C)C C36553301 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@H]([C@H](C)c2ccccc2)N(c3cccc(c3)Cl)C(=O)C(=C)C C01[X(C28H29Cl1N2O4S1)] 189 C1 606 Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@@H](N(C(=O)C(=C)C)c1cccc(c1)Cl)[C@@H](c1ccccc1)C Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@@H](N(C(=O)C(=C)C)c1cccc(c1)Cl)[C@@H](c1ccccc1)C C[C@@H]([C@H](N(C(=O)C(C)=C)c1cccc(Cl)c1)C(=O)NC[S](=O)(=O)c2ccc(C)cc2)c3ccccc3 InChIKey=TUQUEDSMEKHXFM-RLWLMLJZSA-N InChI=1S/C28H29ClN2O4S/c1-19(2)28(33)31(24-12-8-11-23(29)17-24)26(21(4)22-9-6-5-7-10-22)27(32)30-18-36(34,35)25-15-13-20(3)14-16-25/h5-17,21,26H,1,18H2,2-4H3,(H,30,32)/t21-,26+/m1/s1 InChI=1/C28H29ClN2O4S/c1-19(2)28(33)31(24-12-8-11-23(29)17-24)26(21(4)22-9-6-5-7-10-22)27(32)30-18-36(34,35)25-15-13-20(3)14-16-25/h5-17,21,26H,1,18H2,2-4H3,(H,30,32)/t21-,26+/m1/s1/f/h30H Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@H]([C@H](C)c2ccccc2)N(c3cccc(c3)Cl)C(=O)C(=C)C C01[X(C28H29Cl1N2O4S1)] 189 C01 606 Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@@H](N(C(=O)C(=C)C)c1cccc(c1)Cl)[C@@H](c1ccccc1)C Cc1ccc(cc1)[S@](=O)(CNC(=O)[C@@H](N(C(=O)C(=C)C)c1cccc(c1)Cl)[C@@H](c1ccccc1)C)O C[C@@H]([C@H](N(C(=O)C(C)=C)c1cccc(Cl)c1)C(=O)NC[S](O)(=O)c2ccc(C)cc2)c3ccccc3 InChIKey=SXCJOBXFKQFUIU-RLWLMLJZSA-N InChI=1S/C28H30ClN2O4S/c1-19(2)28(33)31(24-12-8-11-23(29)17-24)26(21(4)22-9-6-5-7-10-22)27(32)30-18-36(34,35)25-15-13-20(3)14-16-25/h5-17,21,26H,1,18H2,2-4H3,(H,30,32)(H,34,35)/t21-,26+/m1/s1 InChI=1/C28H30ClN2O4S/c1-19(2)28(33)31(24-12-8-11-23(29)17-24)26(21(4)22-9-6-5-7-10-22)27(32)30-18-36(34,35)25-15-13-20(3)14-16-25/h5-17,21,26H,1,18H2,2-4H3,(H,30,32)(H,34,35)/t21-,26+/m1/s1/f/h30,34H 4404.2822775264 -2342.4520418 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880.1128 885.3415 888.0687 892.9539 928.8026 937.2763 958.5334 960.3027 968.3523 993.4776 1012.5062 1017.4540 1041.6690 1053.6467 1085.7588 1089.0799 1095.6906 1099.6316 1100.2474 1102.3434 1106.3885 1113.1121 1114.1433 1116.6910 1119.2434 1127.9338 1129.8414 1133.1672 1166.2029 1173.6429 1176.1835 1187.5543 1191.6101 1194.6623 1195.5595 1200.2698 1204.3122 1228.9551 1237.6140 1244.2234 1251.4739 1259.6308 1305.1030 1309.0761 1311.4878 1316.6292 1316.8279 1328.5878 1336.3668 1341.2705 1359.3282 1373.4757 1396.8302 1429.0377 1440.2116 1443.6915 1457.6763 1471.4890 1474.6642 1489.6820 1491.7696 1533.0032 1553.1324 1558.8737 1567.7706 1568.2655 1577.9635 1592.0774 1596.5698 1610.2076 1624.7355 1625.7258 1631.4426 1636.3713 1647.0303 1651.4921 1659.9846 1663.1839 1671.9017 1675.9398 1712.0084 1765.5376 1775.2956 1783.5280 1801.3270 1806.1693 1809.6350 1876.6681 1966.6228 1969.8357 3202.3587 3207.0572 3210.2470 3225.2043 3268.1247 3273.8226 3274.7731 3276.2463 3278.0515 3291.5248 3319.0096 3319.6540 3344.2736 3346.1223 3359.3056 3362.8286 3367.9242 3370.6944 3374.9877 3375.3314 3386.8043 3399.9170 3402.2607 3408.7976 3409.5162 3434.7231 3470.2068 3499.9469 3931.1498 5.8175 5.6350 5.3673 2.1725 1.9989 3.4064 5.6678 4.5144 3.7317 4.9534 5.6117 3.6522 4.7446 5.6463 4.2973 8.3550 4.8059 1.1580 3.9340 5.1177 4.5264 6.3626 4.3929 5.7635 4.1613 5.8560 4.8413 4.8696 4.7235 5.8899 4.5844 5.2159 5.3827 3.4890 2.7443 1.1980 3.6148 4.9413 4.0142 6.1607 3.2938 3.0845 2.9148 2.0428 3.5429 4.1477 3.1782 3.3579 4.0668 5.5262 3.6448 3.8688 4.9642 3.9899 4.7728 4.0962 4.4037 4.7470 4.2536 6.9389 3.6192 5.4070 2.3305 1.6826 2.0327 2.9137 4.1693 4.7648 2.2794 2.3515 2.3400 1.8231 4.0970 3.9519 1.4224 3.3333 1.2704 1.2466 3.5055 1.4198 2.5110 1.3865 1.5431 2.2442 5.7223 4.7933 1.5459 1.5072 1.3503 1.5599 1.5553 1.3307 2.8173 1.4790 2.2557 1.3779 1.3937 2.1659 2.1750 1.5759 2.1476 1.5151 4.1867 1.9334 2.8006 2.1139 2.7187 1.8473 2.1640 3.1683 5.2459 3.3038 1.7965 1.3096 1.5606 1.8461 2.5335 2.7798 1.4070 1.8506 1.9023 1.5069 3.0964 2.8023 2.4124 2.0410 1.3582 1.4695 1.3778 1.4792 1.4256 1.3290 1.4002 2.3103 1.2666 1.1931 1.2684 1.2449 1.0954 2.4029 1.2769 1.5020 1.0576 1.0845 1.0516 1.0627 1.0888 2.0475 2.0750 2.2688 1.7317 5.6732 5.6635 4.9804 5.4278 5.2797 5.2037 4.9530 11.4485 11.4481 1.0830 1.0455 1.0383 1.0406 1.1010 1.0931 1.0833 1.0649 1.1018 1.1034 1.1016 1.1007 1.0647 1.0885 1.1057 1.0892 1.0911 1.0913 1.0931 1.0909 1.0965 1.0959 1.0947 1.0943 1.0959 1.1157 1.0930 1.0893 1.0783 0.0002 0.0007 0.0010 0.0007 0.0006 0.0012 0.0069 0.0070 0.0073 0.0111 0.0169 0.0154 0.0216 0.0286 0.0299 0.0727 0.0569 0.0176 0.0673 0.0923 0.1023 0.1517 0.1194 0.1707 0.1290 0.2173 0.1967 0.2202 0.2289 0.3032 0.2702 0.3329 0.3527 0.2565 0.2172 0.0984 0.3039 0.4719 0.3877 0.6935 0.3869 0.3791 0.3617 0.2631 0.4816 0.6026 0.4693 0.5176 0.6816 1.0467 0.6939 0.8428 1.1649 0.9593 1.1672 1.0714 1.1946 1.2956 1.1917 1.9772 1.0756 1.8191 0.7963 0.6033 0.7348 1.0566 1.5667 2.0306 0.9757 1.0510 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1.6391 1.4075 1.8350 3.0826 2.8513 0.8256 6.0730 10.5262 0.6050 4.1837 2.8100 2.5518 7.6476 1.1214 3.9388 4.3440 0.7891 4.5926 33.8575 1.9801 0.0995 50.3682 37.5494 18.7403 1.2295 31.2614 18.0741 44.6531 39.3456 28.7956 61.1329 15.2050 4.6482 27.9234 8.1225 20.1370 5.0591 0.2934 4.9291 2.9365 7.9348 1.1336 45.8487 12.4811 34.0806 43.5487 9.0904 39.4369 19.5236 65.0862 56.3279 22.2200 21.6292 37.2695 0.3812 0.5457 3.9834 29.7831 26.3016 0.9439 1.6946 16.4186 15.1754 0.6145 1.4215 19.3741 1.5738 13.5439 2.7179 0.2669 15.1301 0.8946 19.5577 4.0536 10.2696 1.6282 18.7641 13.5098 10.6137 1.7161 75.6840 2.8063 7.9680 5.3913 22.1957 50.0795 14.6887 31.8824 212.8543 40.2143 82.2305 15.0566 82.1923 51.4380 10.8193 8.0766 13.3077 32.1041 64.6224 162.3565 129.9739 239.6507 55.3096 104.0183 1.4672 11.2451 9.0960 79.0851 14.7816 6.3862 20.5456 14.1321 0.6408 1.8976 6.5454 20.5955 16.2557 8.4267 3.0719 26.4037 7.7861 11.0533 18.1988 1.0058 8.8229 127.4047 14.5631 6.1815 410.5159 3.9649 50.9539 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1583.01 1586.03 1591.85 1601.52 1603.00 1606.67 1610.34 1622.85 1625.59 1630.37 1677.91 1688.61 1692.27 1708.63 1714.46 1718.85 1720.14 1726.92 1732.74 1768.19 1780.65 1790.16 1800.59 1812.33 1877.75 1883.47 1886.94 1894.34 1894.62 1911.54 1922.73 1929.79 1955.77 1976.13 2009.73 2056.07 2072.14 2077.15 2097.27 2117.14 2121.71 2143.32 2146.32 2205.65 2234.61 2242.87 2255.67 2256.38 2270.34 2290.64 2297.11 2316.73 2337.63 2339.06 2347.28 2354.37 2369.71 2376.13 2388.35 2392.95 2405.49 2411.30 2463.20 2540.21 2554.25 2566.10 2591.71 2598.67 2603.66 2700.11 2829.53 2834.15 4607.48 4614.24 4618.83 4640.35 4702.10 4710.30 4711.67 4713.79 4716.39 4735.77 4775.31 4776.24 4811.66 4814.32 4833.29 4838.36 4845.69 4849.68 4855.85 4856.35 4872.86 4891.72 4895.09 4904.50 4905.53 4941.80 4992.85 5035.64 5656.05 0.559524 0.592326 0.593270 0.489054 -2341.892518 -2341.859716 -2341.858771 -2341.962988 3.495455D-04 MUNgauss RevisionA2.0 retrievium 08-Apr-2020 DUDE Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@H]([C@H](C)c2ccccc2)N(c3cccc(c3)Cl)C(=O)C(=C)C C36553301 RHF 6-31G(d) (6D,10F) C1 524.153657 |X|Y|Z| 75.902772 103.717881 52.848381 74.653067 25 6 7 16 22 2 1 |36.858105| |12.617313|36.858105| |7.562698|13.664236|36.858105| |5.020003|7.888218|13.801094|36.858105| |4.439799|6.849957|7.965182|13.707960|36.858105| |5.009982|7.889114|6.874649|7.906033|13.751395|36.858105| |7.545611|13.712812|7.957339|6.872479|7.961696|13.748123|36.858105| |3.143244|4.186000|4.736714|6.955888|10.763258|6.961781|4.733299|388.023441| |2.866521|3.680284|3.828973|4.940253|7.334534|6.509544|4.425680|94.363548|73.516695| |2.861665|3.669147|4.379320|6.368657|7.300490|4.980031|3.840050|94.283285|13.529972|73.516695| |2.830288|3.605420|4.041643|5.415322|6.752526|5.184323|3.939657|75.219608|12.866216|13.100731|36.858105| |2.860794|3.589661|3.760580|4.619657|5.867725|5.300652|4.094942|50.201528|11.180066|8.807622|13.350079|53.358707| |2.438578|2.935191|2.991168|3.509139|4.307669|4.161621|3.359593|37.375018|9.686192|7.119282|7.828123|19.024813|36.858105| |2.166362|2.571397|2.657727|3.130173|3.751785|3.533603|2.887710|34.737092|9.248711|7.044680|6.938033|11.599251|15.959485|73.516695| |2.376253|2.778216|2.713798|3.020526|3.625947|3.793853|3.226682|28.146714|7.566251|5.561219|4.983483|10.414672|12.343230|14.226811|36.858105| |2.360235|2.760771|2.655174|2.949808|3.622944|3.919259|3.288402|28.313266|8.181110|5.538978|4.573827|8.765993|9.331183|12.702013|17.613774|0.500000| |2.704591|3.132107|2.955708|3.162129|3.726021|4.104248|3.671685|26.004306|6.704529|5.165358|4.386259|8.861459|7.140585|9.007427|12.134289|0.253273|36.858105| |3.134347|3.754008|3.461720|3.715593|4.561104|5.311146|4.623712|30.216918|7.801358|5.770179|4.860135|9.911926|6.903363|8.653374|9.027442|0.228825|17.537047|0.500000| |2.715644|3.077179|2.959065|3.098186|3.437094|3.625360|3.402546|23.321823|5.648127|4.822064|4.077658|7.708667|5.585670|7.538816|7.097355|0.150971|12.383307|0.249276|36.858105| |2.499477|2.781990|2.556030|2.650353|3.060961|3.475396|3.262370|21.043756|5.587925|4.320095|3.298016|5.926181|4.807878|6.874296|7.437191|0.201692|12.471957|0.254003|7.602076|36.858105| |2.648444|2.920193|2.597060|2.648398|3.087862|3.680930|3.535653|20.625160|5.613502|4.231899|3.032676|5.200468|4.036725|5.968803|5.486756|0.168222|7.552001|0.211876|5.283078|13.695384|36.858105| |2.369355|2.525126|2.246158|2.256880|2.564929|3.006888|2.973829|17.206837|4.673572|3.638322|2.488477|4.075518|3.165305|4.905312|4.066291|0.123523|5.001475|0.136496|4.012653|7.875149|13.751820|36.858105| |2.076275|2.186525|1.984296|1.996194|2.225434|2.522705|2.493690|15.194126|4.069007|3.272367|2.245209|3.643978|2.878248|4.548030|3.703188|0.108242|4.404646|0.112715|3.776452|6.807428|7.941891|13.757819|36.858105| |2.001197|2.125426|1.964403|1.995447|2.213621|2.452068|2.390833|15.346951|4.056577|3.309948|2.344659|3.865794|3.120020|4.909491|4.160497|0.115831|4.975948|0.117915|4.403072|7.890814|6.907738|7.963516|13.748498|36.858105| |2.161774|2.346072|2.186914|2.251250|2.524531|2.779233|2.655824|17.625606|4.626247|3.738051|2.782241|4.782979|3.941338|5.972523|5.716019|0.149993|7.451638|0.157003|6.279036|13.689598|7.978616|6.884604|7.921995|13.749212|36.858105| |2.022925|2.299180|2.264996|2.484960|2.864628|2.940070|2.589455|22.405565|5.961982|4.689562|3.905371|7.086067|7.697338|12.153627|13.030710|0.260468|7.363101|0.154331|5.715560|6.082731|4.492388|3.656311|3.586518|4.257981|5.769117|53.358707| |1.887504|2.126435|2.135986|2.342170|2.617259|2.603299|2.325826|20.550385|5.239415|4.451578|3.711062|6.366674|6.332791|10.908629|7.520058|0.158346|5.497946|0.121510|5.236263|4.544169|3.497825|2.970489|2.989483|3.567368|4.605404|18.196992|36.858105| |1.657666|1.840829|1.853153|2.016364|2.219209|2.200831|1.991368|17.454615|4.474883|3.896441|3.025930|4.838645|4.512955|8.420887|5.013103|0.119238|3.979952|0.092733|3.854223|3.592285|2.913545|2.590935|2.672345|3.167405|3.814600|10.515417|13.610362|36.858105| |1.554339|1.713096|1.743338|1.890256|2.037813|1.991919|1.820822|15.956464|3.999593|3.650188|2.767034|4.247013|3.722169|6.991353|3.863708|0.093228|3.273477|0.078654|3.349433|2.953389|2.459179|2.219297|2.292439|2.676521|3.128903|6.962037|7.893226|13.817849|36.858105| |1.612392|1.778952|1.831815|1.988590|2.111705|2.033454|1.865700|16.433617|4.005063|3.793190|2.922939|4.425466|3.711606|6.821002|3.682272|0.087084|3.235854|0.078685|3.494216|2.827647|2.358841|2.109904|2.155081|2.494022|2.935237|6.101991|6.742448|7.878409|13.739357|36.858105| |1.818950|2.030284|2.101301|2.297610|2.445324|2.337169|2.130267|18.955775|4.531335|4.303511|3.532622|5.515074|4.565482|8.010203|4.416729|0.099582|3.911529|0.094100|4.422808|3.228370|2.638222|2.299834|2.311152|2.676161|3.254594|6.977566|7.902954|6.946943|8.090520|13.866347|36.858105| |1.997130|2.260970|2.310595|2.545194|2.789488|2.706333|2.427043|21.701525|5.274648|4.737311|4.147894|7.097678|6.381713|10.446102|6.485410|0.133880|5.369027|0.122357|5.900965|4.139003|3.233836|2.726301|2.705422|3.170894|4.059366|10.598338|13.721812|7.995445|6.948233|7.892852|13.763071|36.858105| |1.882971|2.092308|2.210558|2.404382|2.469021|2.308283|2.134768|18.707500|4.296453|4.356503|3.494278|5.155213|3.838637|6.581867|3.552573|0.082530|3.384070|0.085412|4.031155|2.792753|2.354811|2.063946|2.051075|2.319729|2.756966|5.050711|4.762570|4.243107|4.789731|7.040923|10.899371|7.071627|448.794386| |1.855544|2.075222|2.018067|2.182607|2.504336|2.620619|2.345124|19.364124|5.302353|4.124085|3.153590|5.356963|5.277711|9.005028|7.763847|0.216586|5.603499|0.125745|4.377522|5.708155|4.501198|3.892590|3.952650|4.705155|5.903694|18.457141|7.788726|6.627223|4.482534|3.731525|3.926154|5.134273|23.911294|36.858105| |1.700999|1.871331|1.819599|1.942777|2.183463|2.277343|2.082613|16.617653|4.469743|3.619937|2.678438|4.399973|4.068123|7.051708|5.443063|0.147270|4.524311|0.103160|3.865539|4.870152|3.923332|3.607743|3.899238|4.838105|5.675213|11.421542|6.764546|6.842103|4.691352|3.749869|3.755350|4.612156|22.821755|15.975982|73.516695| |1.861875|2.091420|2.017576|2.190312|2.559319|2.721661|2.405142|20.017739|5.756815|4.235310|3.086313|5.092485|4.894009|8.610761|6.532398|0.229772|4.847944|0.119376|3.653168|5.101464|4.572857|4.025304|3.884792|4.200422|4.826272|10.370916|5.106844|4.575909|3.444188|2.972938|3.116140|3.877037|20.139227|12.613431|14.423283|36.858105| |1.851051|2.051292|1.944021|2.073371|2.410040|2.629410|2.374595|18.216136|5.248007|3.877056|2.703496|4.383797|3.915424|6.674248|5.113142|0.178529|4.394270|0.111644|3.346917|5.155714|5.074091|4.795644|4.622921|4.699056|4.951829|7.356503|3.951887|3.612968|2.865519|2.527535|2.641758|3.191434|17.673276|7.799220|11.459314|14.441726|36.858105| |1.798757|2.040545|2.003014|2.216383|2.605859|2.698197|2.333374|21.431428|6.342801|4.582881|3.263069|5.137782|4.991965|9.837497|5.555804|0.190099|4.000441|0.103894|3.150985|3.867948|3.592981|3.174808|3.007301|3.164587|3.574619|8.258011|4.592902|4.265115|3.329397|2.893676|3.002614|3.631464|19.630386|7.415156|9.852701|12.601731|7.617244|36.858105| |17.542504|8.873168|6.515699|4.541503|3.992492|4.377586|6.070827|20.800477|4.785739|4.869125|2.578174|3.479116|2.210016|3.549162|2.140891|0.059555|2.380809|0.075593|2.366586|2.223339|2.363653|2.148782|1.895446|1.819923|1.945688|2.511661|1.727134|1.533063|1.442962|1.492197|1.667246|1.815748|13.834830|1.708713|2.795311|1.728441|1.722947|1.685535|0.500000| |17.588424|8.837098|5.587959|4.175230|3.968893|4.733756|7.201730|20.709024|4.875488|4.634991|2.659897|3.763490|2.402941|3.776645|2.403110|0.066786|2.787649|0.089871|2.775235|2.644749|2.866649|2.590493|2.246058|2.133769|2.281241|2.787021|1.892449|1.662266|1.549571|1.596164|1.794046|1.981699|14.727010|1.896291|3.098753|1.907765|1.920497|1.819760|0.301835|0.500000| |17.566892|8.847649|6.942279|4.665145|3.974808|4.235303|5.735345|20.739824|4.656129|4.797134|2.727054|3.745990|2.345480|3.711122|2.283362|0.062049|2.607957|0.082391|2.704209|2.397071|2.486219|2.232908|1.990399|1.942791|2.103538|2.675555|1.860572|1.637579|1.548740|1.620759|1.833097|1.992136|15.482820|1.793013|2.942280|1.774927|1.754794|1.710871|0.302191|0.301426|0.500000| |7.024397|8.898711|17.711077|8.962298|5.661449|4.952428|5.652461|27.849711|5.712811|6.817457|3.492727|4.396374|2.632770|4.226447|2.403400|0.064900|2.603725|0.082387|2.665726|2.281980|2.301319|2.024842|1.815677|1.804837|1.992931|2.793921|1.966161|1.725658|1.642476|1.736598|1.980040|2.138249|17.000749|1.838050|2.978935|1.825132|1.760184|1.813164|0.179887|0.141330|0.203305|0.500000| |4.092909|5.621144|8.915978|17.739321|8.902589|5.635451|4.953807|47.209034|8.090903|12.848996|5.429372|5.878877|3.331848|5.439274|2.809420|0.075512|2.863702|0.090523|2.849046|2.403786|2.366171|2.039537|1.832235|1.847997|2.080811|3.218200|2.273722|1.977274|1.877056|1.992101|2.295404|2.495311|19.620883|2.072812|3.299218|2.067485|1.939978|2.118360|0.106478|0.096074|0.110191|0.215678|0.500000| |4.081972|5.620374|4.955664|5.638532|8.934190|17.747759|8.885702|47.334342|13.445083|8.219678|5.039949|7.420607|4.539318|6.822625|4.237247|0.127901|4.469582|0.163815|3.687875|3.842661|4.188413|3.355566|2.752633|2.646028|3.001697|4.369350|2.752767|2.319484|2.064846|2.074183|2.366734|2.783836|18.254747|2.899161|4.406569|3.100845|3.014241|3.076326|0.101678|0.112362|0.097643|0.107565|0.124176|0.500000| |6.990722|8.913994|5.650544|4.951705|5.662137|8.945258|17.715850|27.839732|6.908702|5.742976|3.378109|4.934517|3.116570|4.780545|3.126128|0.090013|3.633138|0.126300|3.311624|3.394318|3.855727|3.290926|2.697035|2.523055|2.753191|3.448854|2.250068|1.937949|1.762778|1.789034|2.023878|2.309743|16.078516|2.340885|3.716328|2.421745|2.444681|2.310658|0.159659|0.219590|0.146557|0.124131|0.107540|0.214917|0.500000| |2.448246|3.015385|3.342080|4.294423|5.096892|4.139164|3.265068|58.055939|11.685862|12.178128|17.655311|12.596082|7.568804|14.556584|4.702507|0.121132|3.891357|0.114254|3.600932|3.022518|2.767286|2.313756|2.118287|2.224516|2.617698|5.328610|3.813903|3.180160|2.927022|3.074974|3.648459|4.195784|28.307016|3.182773|4.811742|3.125344|2.684393|3.437507|0.062967|0.064383|0.065764|0.082620|0.123679|0.115634|0.080000|0.500000| |2.928628|3.717836|4.379031|5.941444|6.447042|4.771574|3.841747|57.499253|9.646896|12.297205|17.612632|12.412786|5.889735|9.392240|4.198568|0.105271|3.940120|0.119707|3.938342|3.012995|2.766457|2.303319|2.099672|2.199515|2.591529|4.674106|3.392698|2.809812|2.642869|2.869556|3.503543|3.945867|29.710261|2.798701|4.333289|2.687825|2.392207|2.787704|0.073814|0.075124|0.080081|0.107481|0.176740|0.121533|0.090344|0.299891|0.500000| |3.232865|4.112478|4.201660|4.989527|6.273113|6.009663|4.749200|44.220547|9.755609|7.925856|9.134465|26.150083|9.282582|10.865134|7.222148|0.168450|7.641625|0.263869|6.908777|4.839195|4.238990|3.241270|2.858290|3.020329|3.776500|6.606065|4.328290|3.302764|2.917659|3.057945|3.819115|4.873810|29.477690|3.744679|5.562591|3.527700|3.140289|3.405970|0.078324|0.087248|0.086539|0.098564|0.123853|0.165374|0.115856|0.180020|0.218147|0.500000| |2.367650|2.626456|2.554010|2.669769|2.912014|3.020195|2.852069|20.335858|4.965362|4.322746|3.550153|6.371754|4.938181|7.079002|6.334812|0.135168|8.688732|0.173683|17.627146|6.715913|4.618091|3.733353|3.725262|4.598447|6.663145|8.210517|6.011515|4.408434|3.833844|4.006704|5.095918|6.827152|35.456483|4.623216|7.585364|3.637808|3.302121|3.096809|0.058201|0.067153|0.065958|0.065106|0.069600|0.085696|0.077648|0.090635|0.095866|0.145625|0.500000| |2.837075|3.280564|3.262917|3.480519|3.797542|3.824865|3.537517|25.792052|5.968018|5.338987|4.791439|9.122971|5.956868|7.969408|6.373395|0.135931|8.656449|0.213579|17.570174|5.494325|4.263180|3.344626|3.126569|3.524835|4.654060|6.937714|4.993456|3.702415|3.326623|3.613889|4.778695|6.234694|37.453534|3.846689|6.034606|3.288713|2.969242|2.975129|0.068431|0.078637|0.079384|0.081720|0.089808|0.104559|0.092287|0.114266|0.133558|0.237209|0.302730|0.500000| |2.929618|3.237025|3.025650|3.051706|3.316436|3.596786|3.548821|21.469704|5.187703|4.493644|3.553036|6.299603|4.387568|6.186190|5.329889|0.125027|8.884926|0.217592|17.571879|7.189569|5.452957|4.230016|3.951222|4.484633|6.030091|6.046604|4.080523|3.211739|2.859161|2.975696|3.620195|4.462947|27.738235|3.695619|5.978653|3.212043|3.065964|2.774590|0.069938|0.084726|0.081641|0.076060|0.076934|0.099972|0.098029|0.086715|0.097203|0.158766|0.302707|0.302990|0.500000| |2.986174|3.368995|2.929114|2.990302|3.585901|4.508033|4.288455|23.297107|6.443364|4.676245|3.298012|5.624602|4.190785|6.136344|5.324916|0.168908|7.040674|0.236736|4.921789|8.905622|17.693401|8.950346|5.655511|4.968201|5.657720|5.601775|3.248966|2.704678|2.310476|2.241241|2.522505|3.072345|18.409759|3.996383|6.088004|4.228235|4.574098|3.527623|0.073617|0.090226|0.076186|0.070719|0.072761|0.148491|0.133079|0.082089|0.082712|0.129172|0.114980|0.116611|0.140857|0.500000| |2.389796|2.515061|2.209514|2.198895|2.491896|2.958166|2.976006|16.538539|4.521853|3.523796|2.324664|3.711378|2.831390|4.456715|3.464188|0.106402|4.091041|0.116828|3.378780|5.622569|8.924928|17.713783|8.908402|5.652552|4.957795|4.230764|2.579032|2.285161|1.985847|1.896302|2.053858|2.394103|15.011828|3.299078|5.458615|3.526686|4.227294|2.902561|0.060769|0.073404|0.061872|0.055374|0.055019|0.091955|0.093649|0.060091|0.059929|0.081554|0.086921|0.081091|0.099380|0.216544|0.500000| |1.920615|1.994446|1.812946|1.813121|1.999955|2.251769|2.247256|13.663639|3.652625|2.983686|1.996900|3.170055|2.484777|4.002212|3.079009|0.089943|3.527711|0.092102|3.133220|4.917862|5.644224|8.905093|17.717235|8.903812|5.637244|4.128207|2.601627|2.386942|2.081565|1.955825|2.068483|2.369271|14.876588|3.365328|6.050870|3.361978|4.021415|2.683099|0.049176|0.057801|0.051229|0.046452|0.046468|0.067731|0.067677|0.052689|0.052202|0.068485|0.086693|0.074153|0.091246|0.124304|0.214355|0.500000| |1.817104|1.912997|1.785724|1.811840|1.984541|2.163588|2.116299|13.863032|3.637016|3.034858|2.125034|3.438835|2.774534|4.463386|3.569941|0.097933|4.065552|0.097208|3.809380|5.632305|4.970383|5.654389|8.909856|17.721362|8.940433|5.203510|3.364144|3.107348|2.668474|2.467474|2.590883|2.988846|18.001371|4.277657|8.365461|3.745829|4.116238|2.890953|0.046216|0.053531|0.049373|0.046023|0.047059|0.064144|0.061578|0.056594|0.055853|0.073771|0.114736|0.087165|0.107117|0.107788|0.124124|0.214474|0.500000| |2.039320|2.214998|2.103786|2.180794|2.416886|2.590326|2.460186|17.147546|4.430988|3.676660|2.785572|4.777343|4.000435|6.139213|5.708209|0.139582|6.868395|0.140294|6.607640|8.881916|5.654754|4.960336|5.655657|8.971823|17.742803|8.750700|5.503371|4.517651|3.664978|3.418485|3.794718|4.780554|24.950568|6.257921|11.368120|4.615524|4.431060|3.502615|0.051119|0.059045|0.055724|0.053697|0.056704|0.076543|0.069555|0.073644|0.072727|0.103199|0.225900|0.136623|0.165111|0.124022|0.107644|0.124407|0.217549|0.500000| |1.578303|1.743891|1.742106|1.886886|2.085794|2.091574|1.897318|16.382966|4.286410|3.664495|2.744497|4.338505|4.030008|7.606182|4.593559|0.116013|3.663460|0.086470|3.415390|3.478273|2.882134|2.616111|2.729629|3.221237|3.756329|9.567447|8.855854|17.852996|9.033719|5.655344|5.001753|5.666373|27.523516|7.419066|15.194110|5.111202|3.988145|4.705336|0.040745|0.044174|0.043087|0.045039|0.051208|0.061846|0.051739|0.080127|0.070229|0.082637|0.106223|0.089481|0.081124|0.073832|0.064278|0.068283|0.088741|0.120719|0.500000| |1.429977|1.564111|1.589555|1.714429|1.838444|1.801075|1.656768|14.355724|3.618763|3.324191|2.424251|3.641891|3.132521|5.936515|3.245162|0.080997|2.801708|0.068494|2.838902|2.601864|2.216257|2.038213|2.121475|2.452153|2.779407|5.661985|5.639829|9.002538|17.721697|8.940168|5.714466|4.991454|31.629487|3.912023|7.527284|3.130430|2.656262|3.063130|0.037095|0.039642|0.039568|0.041804|0.047407|0.051871|0.044743|0.071408|0.064520|0.069845|0.088914|0.077940|0.069041|0.057908|0.051114|0.054243|0.068884|0.088907|0.220051|0.500000| |1.515659|1.659188|1.716976|1.853756|1.941332|1.860150|1.721371|15.014260|3.631785|3.527784|2.622829|3.855988|3.128464|5.762577|3.063952|0.074187|2.766892|0.068697|3.007970|2.457460|2.092724|1.895577|1.938924|2.217301|2.551029|4.872227|4.887142|5.612651|8.845416|17.760199|8.917844|5.624871|53.503913|3.095183|5.583223|2.555476|2.218221|2.512598|0.039146|0.041561|0.042524|0.045635|0.051982|0.052310|0.045830|0.076659|0.072703|0.074592|0.094274|0.087072|0.073115|0.055545|0.047780|0.049415|0.061427|0.081223|0.124353|0.213503|0.500000| |2.241181|2.574504|2.640679|2.927960|3.222786|3.107869|2.767899|24.659151|5.840618|5.260332|4.941423|9.073020|7.536759|10.917371|7.259284|0.143306|6.450967|0.147982|7.666811|4.510785|3.502026|2.869963|2.780285|3.209328|4.176431|9.613311|8.867763|5.658241|5.006597|5.683271|9.071059|17.891447|55.276673|4.674138|7.247466|3.717254|3.127796|3.476033|0.055967|0.061517|0.062206|0.067260|0.079075|0.087757|0.072302|0.131837|0.132064|0.178318|0.226140|0.253372|0.150428|0.094042|0.069996|0.067048|0.082206|0.131960|0.123813|0.108439|0.125070|0.500000| |1.809268|2.000146|1.890316|2.013819|2.344756|2.570661|2.322661|17.746388|5.206983|3.805854|2.548179|4.015919|3.481955|6.042086|4.235739|0.147580|3.723616|0.098985|2.906901|4.248880|4.469302|4.370298|4.086983|3.925466|3.992656|5.815198|3.300896|3.068722|2.514159|2.246107|2.337180|2.761292|15.978865|5.538565|8.536499|9.121422|17.707996|6.952449|0.047177|0.052172|0.047329|0.047549|0.052326|0.082527|0.066793|0.070485|0.062629|0.079705|0.078637|0.073106|0.075267|0.117691|0.113630|0.102721|0.097053|0.099507|0.093299|0.065585|0.055530|0.075858|0.500000| |1.851866|2.026561|1.903749|2.001454|2.297644|2.527372|2.333975|16.909807|4.755743|3.616835|2.522691|4.110746|3.571156|5.931044|4.774353|0.156231|4.477829|0.111390|3.470411|5.798377|5.724009|5.806983|6.001180|6.126768|6.015094|6.920558|3.815018|3.489035|2.796498|2.481420|2.595587|3.119867|17.465334|7.172992|11.754487|9.093793|17.746799|5.466871|0.047686|0.053838|0.048966|0.048071|0.051849|0.079406|0.067484|0.068678|0.063047|0.083845|0.096392|0.083400|0.089997|0.133241|0.135703|0.141540|0.145607|0.142514|0.106070|0.072094|0.060684|0.085186|0.288695|0.500000| |1.645404|1.849156|1.830650|2.018358|2.325428|2.369808|2.077692|19.115221|5.486189|4.203945|2.946468|4.517423|4.292906|8.762844|4.616486|0.143956|3.445750|0.088535|2.851514|3.338947|3.067228|2.779742|2.710014|2.893201|3.218582|7.409508|4.523545|4.552669|3.567121|3.005453|3.012091|3.531432|19.435239|6.711238|9.882531|8.898629|6.042753|17.526001|0.043010|0.046091|0.043790|0.046516|0.054222|0.073420|0.056981|0.087748|0.071285|0.083259|0.079668|0.075464|0.069967|0.082691|0.070884|0.068271|0.075430|0.090089|0.146667|0.093270|0.072734|0.090971|0.154674|0.130299|0.500000| |1.774762|2.007436|1.958459|2.158799|2.545601|2.664555|2.308380|20.819810|6.330187|4.484405|3.016754|4.611340|4.213897|8.121461|4.545438|0.157708|3.525957|0.094919|2.803679|3.496172|3.422729|3.095601|2.886454|2.931562|3.202383|6.292391|3.659337|3.435023|2.802991|2.487768|2.577567|3.040765|17.399328|5.464037|7.862054|8.893692|7.252541|17.586522|0.046534|0.049989|0.046555|0.049205|0.057130|0.085347|0.063980|0.087583|0.071894|0.086073|0.075589|0.073833|0.070218|0.095360|0.080741|0.072634|0.074362|0.085233|0.104029|0.072850|0.061170|0.082453|0.219081|0.143082|0.301418|0.500000| 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