Version2.1 2021-01-07T20:46:00Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 19-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc2c(cc1Cl)nc(n3c2nnc3C4CCCCC4)N5CCC[NH+](CC5)Cc6ccsc6 C35890554 RHF 6-31G(d) (6D,7F) c1cc2c(cc1Cl)nc(n3c2nnc3C4CCCCC4)N5CCC[NH+](CC5)Cc6ccsc6 C01[X(C25H30Cl1N6S1)] 183 C1 563 Clc1ccc2c(c1)nc(n1c2nnc1C1CCCCC1)N1CCC[NH+](CC1)Cc1ccsc1 Clc1ccc2c(c1)nc(n1c2nnc1C1CCCCC1)N1CCC[NH+](CC1)Cc1ccsc1 Clc1ccc2c(c1)nc(N3CCC[NH+](CC3)Cc4cscc4)n5c(nnc25)C6CCCCC6 InChIKey=ZTECMDXFKSQUNG-UHFFFAOYSA-O InChI=1S/C25H29ClN6S/c26-20-7-8-21-22(15-20)27-25(32-23(28-29-24(21)32)19-5-2-1-3-6-19)31-11-4-10-30(12-13-31)16-18-9-14-33-17-18/h7-9,14-15,17,19H,1-6,10-13,16H2/p+1 InChI=1/C25H29ClN6S/c26-20-7-8-21-22(15-20)27-25(32-23(28-29-24(21)32)19-5-2-1-3-6-19)31-11-4-10-30(12-13-31)16-18-9-14-33-17-18/h7-9,14-15,17,19H,1-6,10-13,16H2/p+1/fC25H30ClN6S/h30H/q+1 c1cc2c(cc1Cl)nc(n3c2nnc3C4CCCCC4)N5CCC[NH+](CC5)Cc6ccsc6 C01[X(C25H30Cl1N6S1)] 183 C01 563 Clc1ccc2c(c1)nc(n1c2nnc1C1CCCCC1)N1CCC[NH+](CC1)Cc1ccsc1 Cl[C]1[CH][CH][C]2[C]([CH]1)N=C(N1[C]2[N][N]=C1C1CCCCC1)N1CCC[NH](CC1)C[C]1[CH]=[CH][S][CH]=1 Cl[C]1[CH][CH][C]2[C]([CH]1)N=C(N3CCC[NH](CC3)Cc4cscc4)N5[C]2[N]N=C5C6CCCCC6 InChIKey=LGPUXTHIMFVTSW-UHFFFAOYSA-N InChI=1S/C25H30ClN6S/c26-20-7-8-21-22(15-20)27-25(32-23(28-29-24(21)32)19-5-2-1-3-6-19)31-11-4-10-30(12-13-31)16-18-9-14-33-17-18/h7-9,14-15,17,19,30H,1-6,10-13,16H2 InChI=1/C25H30ClN6S/c26-20-7-8-21-22(15-20)27-25(32-23(28-29-24(21)32)19-5-2-1-3-6-19)31-11-4-10-30(12-13-31)16-18-9-14-33-17-18/h7-9,14-15,17,19,30H,1-6,10-13,16H2 3695.1967098101 -2147.6332629 1-A 20907.8812 127 436 563 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.90178 -92.09663 -15.85453 -15.74409 -15.71033 -15.67948 -15.66227 -15.65639 -11.48178 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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| 13.3007 20.3155 27.7815 29.2681 44.3734 54.8384 61.8159 70.8523 78.5745 91.3542 127.2245 138.5352 154.0494 164.9925 181.0379 199.7335 220.6519 231.2957 253.1729 256.0461 268.1506 286.0792 316.7387 331.4558 339.7141 345.0052 366.6676 371.5472 385.8693 416.3865 418.0230 431.8980 459.4140 474.2495 483.2377 490.8567 499.6712 531.7703 542.7628 550.4848 564.7117 592.4206 621.0590 635.0059 638.7872 673.0285 703.6150 731.1890 749.1974 762.6124 773.9594 791.9834 798.2571 813.7312 820.8619 824.7970 839.9098 863.6331 872.2246 874.4746 897.2666 912.9822 929.8695 931.4055 940.9059 950.1151 951.6842 969.2530 973.1247 975.2553 989.4615 1006.2027 1006.6970 1007.6853 1021.3458 1037.4188 1042.1775 1062.6160 1087.9588 1099.9495 1111.8521 1115.7455 1117.2833 1123.8446 1141.0178 1151.8512 1163.4627 1169.8454 1181.7757 1187.5042 1194.1701 1207.1816 1215.5642 1224.5596 1233.4128 1250.6807 1266.2999 1278.3747 1284.2334 1296.4850 1304.2997 1316.0456 1336.8791 1350.3473 1361.9987 1372.3393 1389.8333 1394.6076 1402.0033 1407.1752 1415.2988 1419.4136 1437.7364 1454.0925 1473.5416 1481.0604 1488.6281 1495.0327 1495.5037 1497.2382 1513.7248 1516.1972 1527.7956 1530.0123 1533.7514 1547.4757 1548.0272 1561.5529 1564.5192 1567.3114 1583.4955 1591.9731 1595.5708 1600.0241 1608.4212 1622.3739 1629.8019 1632.2965 1634.6815 1639.3765 1641.6514 1642.2367 1648.7221 1650.0297 1652.4021 1658.3605 1682.1239 1747.8148 1750.3804 1757.1112 1778.2005 1813.7187 1868.1102 3163.1732 3172.9617 3186.4898 3201.1395 3204.5956 3215.4584 3228.6446 3236.4048 3237.4432 3242.1544 3246.3666 3249.4044 3262.8542 3263.9898 3275.1074 3279.8870 3284.4183 3301.0427 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0.8347 3.5673 0.0410 1.1956 0.4714 1.8840 3.3705 30.0695 1.5897 2.4268 0.7448 1.0197 2.1898 4.5145 3.3003 1.0336 0.2510 1.1948 0.7155 0.2509 0.3202 0.2356 2.0135 0.5399 3.9915 2.7506 0.1090 0.5018 2.2976 1.4802 2.0476 1.0655 0.6576 0.5400 0.5612 0.8780 0.5742 3.0569 2.1553 2.7524 1.3270 0.4596 0.8394 0.5331 2.0960 0.7350 0.8538 0.2645 3.5291 0.6063 1.4279 2.3807 4.8107 0.1473 2.9282 9.6257 2.5895 2.8916 2.1588 1.8919 3.2259 10.9268 5.0268 2.1195 2.1520 1.6553 3.8049 19.1055 10.0007 1.2842 0.3901 0.3134 1.2380 1.2200 1.4522 0.4684 2.5260 3.1213 2.0037 1.5424 2.1695 1.2805 4.1984 1.2658 11.0866 12.2655 4.1480 2.6816 10.3327 11.5360 0.2269 21.9150 10.6857 3.3508 5.2373 1.2434 5.7695 14.6619 6.0902 12.8530 4.6021 8.0586 38.4373 7.7102 3.6862 3.7208 14.7292 8.4960 7.5766 4.5342 19.1690 2.2054 20.9765 45.3745 4.4763 54.4747 5.7590 6.1032 30.7081 7.6901 11.6661 11.8628 6.9392 14.4468 60.1101 16.2461 28.4072 11.2670 0.3247 4.9092 2.2746 1.1013 2.3641 20.8511 7.0189 8.0459 5.1422 7.0529 7.5958 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19.14 29.23 39.97 42.11 63.84 78.90 88.94 101.94 113.05 131.44 183.05 199.32 221.64 237.39 260.47 287.37 317.47 332.78 364.26 368.39 385.81 411.60 455.72 476.89 488.77 496.39 527.55 534.57 555.18 599.09 601.44 621.40 660.99 682.34 695.27 706.23 718.92 765.10 780.91 792.02 812.49 852.36 893.57 913.63 919.07 968.34 1012.34 1052.02 1077.93 1097.23 1113.55 1139.49 1148.51 1170.78 1181.04 1186.70 1208.44 1242.58 1254.94 1258.17 1290.97 1313.58 1337.87 1340.08 1353.75 1367.00 1369.26 1394.54 1400.11 1403.17 1423.61 1447.70 1448.41 1449.83 1469.49 1492.61 1499.46 1528.87 1565.33 1582.58 1599.71 1605.31 1607.52 1616.96 1641.67 1657.26 1673.96 1683.15 1700.31 1708.55 1718.14 1736.87 1748.93 1761.87 1774.61 1799.45 1821.92 1839.30 1847.73 1865.35 1876.60 1893.50 1923.47 1942.85 1959.61 1974.49 1999.66 2006.53 2017.17 2024.61 2036.30 2042.22 2068.58 2092.11 2120.10 2130.92 2141.80 2151.02 2151.70 2154.19 2177.91 2181.47 2198.16 2201.35 2206.73 2226.47 2227.27 2246.73 2250.99 2255.01 2278.30 2290.49 2295.67 2302.08 2314.16 2334.23 2344.92 2348.51 2351.94 2358.70 2361.97 2362.81 2372.14 2374.02 2377.44 2386.01 2420.20 2514.72 2518.41 2528.09 2558.43 2609.54 2687.79 4551.10 4565.18 4584.65 4605.73 4610.70 4626.33 4645.30 4656.46 4657.96 4664.74 4670.80 4675.17 4694.52 4696.15 4712.15 4719.03 4725.55 4749.46 4751.83 4782.76 4796.15 4801.87 4846.33 4860.43 4895.64 4913.33 4917.39 4934.92 4964.85 5314.74 0.570957 0.597375 0.598319 0.510588 -2147.062306 -2147.035888 -2147.034944 -2147.122675 2.942512D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2021 DUDE c1cc2c(cc1Cl)nc(n3c2nnc3C4CCCCC4)N5CCC[NH+](CC5)Cc6ccsc6 C35890554 RHF 6-31G(d) (6D,10F) C1 481.194120 |X|Y|Z| 90.725705 107.203898 34.407355 69.427374 32 6 7 16 25 6 1 |36.858105| |13.868013|36.858105| |7.950275|13.654859|36.858105| |6.850259|7.883794|13.698382|36.858105| |7.881932|6.831023|7.904708|13.663607|36.858105| |13.645874|7.967238|6.919726|7.987375|13.872718|36.858105| |7.040262|4.783605|4.243760|4.781020|7.083254|10.973702|448.794386| |4.562245|5.145327|7.834332|13.652774|7.944371|5.218774|30.080256|53.358707| |3.847899|4.577781|6.882549|8.250526|5.355908|4.059970|24.513897|20.540397|36.858105| |3.950582|5.108780|7.843906|7.009784|4.634825|3.841843|23.003799|11.175681|13.794595|53.358707| |5.089623|7.617675|13.183354|7.910080|5.148021|4.540520|25.783406|9.381080|7.950505|18.757540|36.858105| |4.310821|6.237991|7.695573|5.229418|3.917403|3.696555|22.256393|6.450161|5.478146|11.850797|14.926434|53.358707| |3.341269|4.371324|5.364640|4.268725|3.283803|3.024613|19.039036|5.844939|5.386343|11.959723|8.967386|19.034038|53.358707| |3.221366|4.072458|5.357129|4.664885|3.479060|3.056879|19.241560|7.046520|7.390170|18.559057|8.725165|11.964244|20.292559|36.858105| |2.593080|3.097498|3.835661|3.608575|2.862940|2.523910|16.570061|5.676201|5.727993|9.948313|5.207726|7.169644|10.544033|12.644701|36.858105| |2.446488|2.856506|3.461684|3.343378|2.724811|2.407858|16.047507|5.232917|4.983888|7.815885|4.395866|5.944283|7.778434|7.611997|12.353884|36.858105| |2.050571|2.326815|2.724824|2.687267|2.279660|2.037413|13.983594|4.182123|3.770412|5.489074|3.271958|4.455078|5.537561|4.930137|7.510998|12.442308|36.858105| |1.882831|2.138426|2.445023|2.356704|2.022623|1.843863|12.760494|3.559072|3.139718|4.713994|2.941327|4.177670|5.281106|4.372594|6.422902|7.527243|12.447498|36.858105| |1.948810|2.236379|2.569130|2.445609|2.078125|1.895519|13.024238|3.690322|3.303907|5.086555|3.155402|4.552175|5.959124|4.931801|7.542179|6.455719|7.540636|12.446473|36.858105| |2.277805|2.692565|3.155452|2.906082|2.396701|2.181454|14.635119|4.347308|4.024218|6.755044|4.120283|6.176915|9.088924|7.594977|12.391019|7.530209|6.435230|7.517002|12.441282|36.858105| |3.012111|3.423367|4.566919|5.278261|4.041988|3.200543|20.682264|11.192021|13.536727|10.909072|5.215967|5.690913|6.102484|6.255692|6.070785|5.341931|4.285274|3.447583|3.620154|4.183218|53.358707| |2.750992|3.092730|3.951004|4.401011|3.542408|2.896980|19.155997|8.267971|8.043539|8.373739|4.460871|5.114147|5.510554|5.324237|5.324733|4.303391|3.726399|3.216250|3.576442|4.067635|17.659731|36.858105| |2.276987|2.486843|3.017032|3.338304|2.869642|2.410494|16.624860|5.871078|5.097060|5.727959|3.303350|3.976230|4.316042|3.948925|4.309471|3.744736|3.557549|3.100243|3.390851|3.544604|10.334863|12.466890|36.858105| |2.184815|2.314219|2.748946|3.143600|2.835668|2.372251|16.805446|5.451246|4.279895|4.700029|2.857245|3.416700|3.574399|3.137260|3.279719|3.013962|2.891620|2.535170|2.682434|2.775005|7.799514|7.382606|12.469712|36.858105| |2.227671|2.325722|2.762142|3.256089|2.998128|2.468600|17.651778|5.741340|4.311389|4.580981|2.803950|3.312988|3.419785|2.992272|3.097212|3.006318|2.871958|2.445317|2.490250|2.572794|7.740383|5.855515|7.434522|12.686952|53.358707| |2.078036|2.180922|2.573610|2.967963|2.719465|2.273916|16.315920|5.138433|3.977038|4.357873|2.655791|3.187116|3.341915|2.930281|3.134430|3.134108|3.086544|2.588571|2.585238|2.609400|7.237462|5.218666|6.852507|9.324812|25.708203|0.500000| |2.642974|2.763090|3.385210|4.222819|3.821305|2.996288|20.836810|8.099687|5.764126|5.584996|3.362209|3.823139|3.867648|3.433181|3.403869|3.343522|3.029992|2.521391|2.545020|2.718700|10.179905|6.368604|6.272051|7.549626|17.210301|0.259735|36.858105| |2.758509|2.999626|3.810457|4.597974|3.836940|3.025401|20.292870|9.321586|7.947623|7.283787|4.022412|4.527664|4.731144|4.450124|4.523043|4.557604|3.943974|3.106237|3.093694|3.358846|17.872497|7.632973|6.638084|6.084304|10.283902|0.203558|12.443285|36.858105| |2.050895|2.089009|2.406986|2.828149|2.733870|2.297234|17.033607|4.700997|3.359328|3.714728|2.378616|2.845354|2.887234|2.443582|2.487881|2.435027|2.350789|2.052968|2.081918|2.137364|5.445590|4.136516|4.904269|7.679226|17.067595|0.258655|7.603701|4.940628|36.858105| |1.930770|1.948076|2.214614|2.587392|2.546362|2.166677|16.359704|4.194976|2.972049|3.349863|2.174866|2.622929|2.655457|2.223394|2.272042|2.298243|2.242717|1.946220|1.928469|1.961490|4.677551|3.337954|3.780303|5.022648|10.352686|0.206812|6.131194|4.383076|12.719871|36.858105| |1.732208|1.760308|1.986118|2.262989|2.203199|1.909615|14.432816|3.614800|2.635054|3.055488|1.983149|2.432481|2.495171|2.081511|2.176379|2.243503|2.254051|1.957411|1.910519|1.902293|4.173673|2.963498|3.425993|4.268184|7.958230|0.185800|4.730079|3.849893|7.360248|13.229884|36.858105| |1.651317|1.663575|1.853457|2.100653|2.075679|1.821448|13.973592|3.279994|2.364358|2.783512|1.835681|2.264496|2.308136|1.901442|1.973861|2.064603|2.074330|1.808528|1.745337|1.738101|3.628189|2.526241|2.806653|3.318958|5.849062|0.131604|3.870029|3.295642|5.103183|8.231625|14.154008|36.858105| |1.759482|1.741777|1.925151|2.215825|2.253068|1.975882|15.461047|3.407592|2.374407|2.776804|1.862261|2.277126|2.279834|1.861710|1.884269|1.961212|1.920831|1.679604|1.629677|1.652851|3.518749|2.420058|2.577557|3.035177|5.328020|0.111343|3.837503|3.178697|4.754639|7.466957|7.467904|11.075366|388.023441| |1.975882|1.958322|2.198561|2.593666|2.635207|2.251633|17.386883|4.099245|2.809060|3.184122|2.112083|2.540085|2.531992|2.091792|2.096057|2.135441|2.056327|1.791264|1.766677|1.814492|4.217668|2.936932|3.141531|3.922607|7.390063|0.143608|5.262396|3.889691|7.554758|14.086318|8.223357|7.746589|79.052324|36.858105| |17.759442|8.934827|5.643853|4.943637|5.635439|8.891969|53.924723|4.940851|3.171342|4.473200|4.117162|5.063106|4.016420|2.799354|2.304395|2.188248|1.863333|1.731650|1.788980|2.069757|3.509813|2.392393|2.023801|1.951457|2.700315|0.051728|2.306516|2.388835|1.849701|1.753962|1.586156|1.522098|11.538734|1.800592|0.500000| |8.931909|17.746800|8.914517|5.631224|4.932572|5.648302|31.606713|5.680048|3.959708|6.329573|6.977145|9.244387|6.223786|3.993469|3.039430|2.787656|2.279860|2.135119|2.244874|2.723538|4.188141|2.826988|2.305635|2.123877|2.874646|0.055555|2.453759|2.684579|1.900464|1.777357|1.625419|1.539474|11.362466|1.776761|0.214050|0.500000| |5.615388|4.934043|5.635999|8.902832|17.767381|8.921500|53.824451|9.932217|4.922797|5.508027|4.189274|4.494843|3.935602|3.122981|2.671174|2.576130|2.199513|1.940263|1.980372|2.240099|5.411626|3.504378|2.920671|2.992551|4.433635|0.080976|4.233812|3.995281|3.036700|2.845111|2.408003|2.271829|17.925660|3.008717|0.123952|0.107244|0.500000| |2.496329|2.921013|3.636149|3.582206|2.864181|2.483211|16.441530|5.907932|6.079512|9.203917|4.686709|6.075181|7.962856|8.963143|17.600217|8.921554|6.920564|5.768132|6.942530|8.913444|10.184606|6.994700|5.626504|3.955617|4.918931|0.101758|3.884197|5.254400|2.809277|2.510738|2.396539|2.133351|14.308593|2.270990|0.061486|0.078178|0.075601|0.500000| |2.602864|3.010716|3.728592|3.743558|3.025681|2.613261|17.310351|6.077902|5.847250|8.431139|4.586208|5.802275|6.993271|6.964195|8.769872|17.529920|8.814878|5.486772|4.835635|5.480752|8.652069|4.612493|3.961798|3.252791|4.585614|0.097928|3.904750|5.689026|2.686247|2.556626|2.477432|2.279711|15.486458|2.383410|0.063943|0.079663|0.080134|0.213859|0.500000| |2.474995|2.913160|3.446253|3.218065|2.647246|2.390164|15.931743|4.798150|4.369568|7.168121|4.391647|6.262261|8.237178|7.025927|8.856602|17.533739|8.837300|6.787405|5.692692|6.842287|5.902567|3.582401|3.119044|2.598367|3.550402|0.074830|2.912152|3.795212|2.172214|2.073552|2.024613|1.891383|12.934539|1.958048|0.061981|0.080498|0.068676|0.174863|0.303294|0.500000| |1.997489|2.242412|2.641256|2.669998|2.277177|2.012870|13.894544|4.262339|3.849052|5.317840|3.113401|4.125252|4.993950|4.547459|6.773748|8.844158|17.467813|8.848517|6.775640|5.639773|6.374469|4.152917|4.175305|3.317020|4.453842|0.099908|3.357443|4.405564|2.619650|2.478521|2.511662|2.272255|14.683605|2.227253|0.050297|0.060353|0.061832|0.204474|0.214413|0.173509|0.500000| |1.957999|2.194163|2.531837|2.514865|2.171531|1.952864|13.552025|3.863556|3.365546|4.799474|2.957485|4.012019|4.793869|4.096693|5.482142|8.842687|17.544743|8.809474|5.491387|4.833877|5.093591|3.215011|3.112262|2.636627|3.664602|0.081116|2.851421|3.642471|2.244869|2.190967|2.231237|2.086316|13.724431|2.027985|0.049704|0.059678|0.058553|0.141289|0.212812|0.214346|0.303317|0.500000| |1.708296|1.912658|2.161404|2.108574|1.840199|1.683751|11.812184|3.178879|2.743280|3.997609|2.533801|3.560829|4.335441|3.536226|4.828170|5.488700|8.821348|17.545376|8.812973|5.482527|4.145267|2.898129|2.900899|2.416439|3.175341|0.069315|2.354321|2.829962|1.982032|1.892077|1.930498|1.787881|11.676078|1.734404|0.043911|0.052932|0.049491|0.129015|0.123196|0.139286|0.215089|0.211365|0.500000| |1.875773|2.136702|2.408237|2.283560|1.968916|1.817108|12.587934|3.370966|2.927271|4.488834|2.897107|4.220407|5.328068|4.177136|5.632185|6.777739|8.864734|17.515095|8.858008|6.775034|4.205313|2.852011|2.698569|2.258989|2.997159|0.064174|2.300433|2.800176|1.877318|1.794515|1.799527|1.682061|11.234783|1.673103|0.048210|0.059956|0.052104|0.132718|0.139374|0.199666|0.173834|0.215145|0.303549|0.500000| |1.898476|2.157104|2.491846|2.421743|2.067073|1.869240|12.907748|3.722738|3.335366|4.931968|3.007426|4.206169|5.314069|4.548742|6.797304|5.657578|6.774359|8.847892|17.476770|8.830271|5.196757|3.937937|3.899662|2.997347|3.697187|0.078780|2.705821|3.264399|2.246681|2.056004|2.042343|1.842348|12.096280|1.857203|0.048302|0.059467|0.055264|0.205209|0.126455|0.131488|0.199008|0.139111|0.214913|0.173775|0.500000| |1.812482|2.067975|2.326416|2.197423|1.893964|1.751290|12.147426|3.249731|2.833714|4.353942|2.812503|4.131327|5.270055|4.095482|5.499601|4.843923|5.494705|8.821304|17.554588|8.854422|4.130207|3.053138|2.926268|2.378229|2.998943|0.063202|2.234217|2.637598|1.879665|1.747558|1.735599|1.595806|10.626566|1.609958|0.046678|0.058283|0.050108|0.141656|0.106610|0.127426|0.139227|0.123224|0.211531|0.215096|0.303784|0.500000| |2.294882|2.733357|3.133488|2.811134|2.334634|2.161490|14.505319|4.068962|3.660517|6.295075|4.104905|6.535957|9.884739|6.996144|8.844169|6.813548|5.667749|6.768798|8.831388|17.580935|4.936058|3.438110|2.996918|2.436041|3.133377|0.064705|2.459930|2.997902|1.947094|1.809482|1.756583|1.624294|11.082597|1.695227|0.058379|0.078393|0.060068|0.174588|0.139812|0.202616|0.131043|0.126996|0.139052|0.199112|0.173405|0.214571|0.500000| |2.287147|2.707601|3.150743|2.880886|2.382754|2.180212|14.630647|4.268224|3.901505|6.529460|4.094752|6.187580|8.804113|6.952634|8.813237|5.486918|4.826720|5.481732|8.806036|17.554524|5.456613|4.159175|3.589260|2.795664|3.438605|0.070121|2.640758|3.167782|2.113697|1.914434|1.841684|1.675482|11.371613|1.769279|0.057861|0.076469|0.061700|0.214166|0.122947|0.140338|0.126189|0.106472|0.123067|0.139310|0.213968|0.212701|0.304622|0.500000| |2.700761|3.107878|3.935316|4.093106|3.264762|2.755806|18.148078|7.095875|7.093027|8.912830|4.719432|5.637649|6.363981|6.268246|6.363298|4.598398|3.936842|3.524942|4.148947|4.932973|12.486374|17.631076|8.919715|5.524190|6.062993|0.115358|4.705348|5.681100|3.379561|2.820087|2.570470|2.231715|15.179156|2.519378|0.065729|0.080776|0.087244|0.243659|0.128772|0.106283|0.119616|0.091667|0.086765|0.086346|0.127893|0.097632|0.111606|0.146708|0.500000| |2.952673|3.270403|4.164126|4.797075|3.921040|3.162440|20.839817|8.913938|7.518154|7.691295|4.435538|4.978880|5.084195|4.626691|4.303977|3.567324|3.099476|2.743068|3.034854|3.463513|12.275385|17.493934|8.882512|7.116474|7.657747|0.131074|6.248439|6.366175|4.233546|3.334678|2.871149|2.459594|17.159677|2.986893|0.070867|0.081715|0.108617|0.143813|0.106034|0.086046|0.093442|0.076185|0.069359|0.069116|0.091037|0.074072|0.084067|0.100371|0.304245|0.500000| |2.138494|2.341882|2.821022|3.072993|2.646070|2.246178|15.571328|5.324843|4.706631|5.473354|3.136123|3.846162|4.275643|3.944792|4.618635|4.180904|4.167240|3.528207|3.769871|3.771856|9.686164|8.770071|17.556554|8.765979|9.204882|0.200880|5.733349|6.715003|4.515284|3.704321|3.526895|2.894939|18.395742|3.058674|0.053095|0.060853|0.074532|0.171843|0.122715|0.094036|0.144005|0.100218|0.092533|0.083148|0.123395|0.088492|0.087508|0.102575|0.203512|0.173608|0.500000| |2.131399|2.327601|2.767106|2.978232|2.591654|2.227112|15.500992|4.987623|4.250105|5.098147|3.042494|3.759798|4.101644|3.643027|3.987143|3.373245|3.270234|2.986732|3.378554|3.485768|7.666862|8.979561|17.565001|9.125337|7.565039|0.144605|4.701785|4.841656|4.174166|3.270697|3.017215|2.508055|16.388968|2.758487|0.053154|0.060729|0.072596|0.142130|0.095447|0.079512|0.105190|0.079176|0.078473|0.072258|0.110195|0.082612|0.081461|0.101418|0.230104|0.207056|0.305535|0.500000| |1.945175|2.048478|2.382598|2.667758|2.447491|2.094607|15.103373|4.444325|3.472573|3.990898|2.480065|3.032300|3.190067|2.746528|2.924928|2.722619|2.698089|2.409539|2.541244|2.558156|6.043999|5.459171|8.858675|17.622369|12.476856|0.228874|5.581908|4.726873|7.221544|4.897362|4.405479|3.364356|21.112509|3.732235|0.048850|0.052809|0.071541|0.096730|0.080229|0.065759|0.086450|0.068905|0.064988|0.059534|0.079637|0.063358|0.062603|0.071695|0.125468|0.145077|0.209161|0.225866|0.500000| |2.287735|2.399989|2.835332|3.278349|3.003889|2.506879|17.822555|5.598702|4.209015|4.618868|2.880828|3.417953|3.499220|3.016630|3.034106|2.745898|2.584301|2.305412|2.464218|2.599489|7.084262|6.891341|8.816116|17.608316|12.450684|0.182350|6.807395|5.243998|7.224413|4.650809|3.798065|3.045367|20.640036|3.817466|0.056683|0.060784|0.088750|0.099233|0.081792|0.067020|0.080175|0.065696|0.060757|0.057891|0.075380|0.061467|0.064129|0.073911|0.146390|0.218910|0.172575|0.213418|0.302097|0.500000| |2.554790|2.615833|3.127899|3.902474|3.704335|2.935232|20.961756|7.014194|4.768327|4.860640|3.037507|3.493527|3.497278|3.029442|2.998120|3.050406|2.798227|2.330526|2.305723|2.437910|7.619527|4.712210|4.698973|5.597262|12.480919|0.221559|17.664776|8.870011|7.426396|7.250786|5.356174|4.516790|33.445087|6.717149|0.062409|0.064511|0.117322|0.092103|0.099490|0.075335|0.084973|0.075059|0.060942|0.059756|0.067284|0.056741|0.062313|0.065258|0.104113|0.129537|0.125576|0.104276|0.127555|0.144118|0.500000| |2.915951|3.018754|3.724659|4.844379|4.443136|3.378373|23.251027|9.478201|6.120869|5.793795|3.574713|3.984484|3.928768|3.437991|3.266350|3.100418|2.759100|2.353458|2.421881|2.639480|9.615393|6.549365|5.856017|7.049322|12.317627|0.181803|17.658454|8.732363|6.781029|5.232711|3.985687|3.359001|24.645172|4.782139|0.069940|0.073299|0.140161|0.102296|0.098437|0.076339|0.083202|0.071635|0.060742|0.060235|0.071094|0.059637|0.066744|0.072535|0.133937|0.204858|0.138207|0.127900|0.143444|0.207614|0.301476|0.500000| |2.949220|3.191982|4.066320|4.999582|4.184162|3.262759|21.705776|9.924390|7.795562|7.341736|4.187314|4.659326|4.762797|4.384980|4.293729|4.596183|3.856254|3.006072|2.916739|3.195678|12.628348|5.654940|4.844767|4.577300|7.699905|0.155596|8.989958|17.667668|4.216648|4.014399|3.571961|3.200955|22.684018|3.777527|0.070502|0.078583|0.120995|0.129302|0.167700|0.109929|0.114512|0.102239|0.075667|0.077019|0.083079|0.069580|0.081516|0.082499|0.128370|0.140079|0.137463|0.106178|0.104600|0.115349|0.231592|0.198161|0.500000| |2.409834|2.617375|3.222240|3.691994|3.161965|2.594269|17.801490|6.793090|5.874805|6.175896|3.479631|4.095396|4.412779|4.118822|4.543759|4.811932|4.460232|3.397542|3.296613|3.425241|12.513948|6.524069|6.696407|5.952467|10.016421|0.235452|8.857715|17.534244|4.791313|4.395856|4.122756|3.484255|22.690058|3.762415|0.058990|0.066489|0.090757|0.149684|0.166153|0.108162|0.146420|0.115021|0.087201|0.083245|0.098242|0.077249|0.083988|0.088128|0.144554|0.144921|0.219081|0.136136|0.136290|0.133300|0.201809|0.174343|0.306173|0.500000| |1.877420|1.918777|2.188291|2.511356|2.419064|2.072921|15.455069|4.086097|2.981741|3.395472|2.186672|2.656080|2.716286|2.282007|2.352607|2.282211|2.242192|1.991043|2.034449|2.061953|4.824662|3.829247|4.776186|7.599987|12.369106|0.216073|5.610091|4.131799|17.621764|8.912865|6.749361|4.681946|29.405865|5.802312|0.047426|0.049001|0.073343|0.074076|0.068639|0.056623|0.069756|0.059278|0.053910|0.050400|0.061571|0.051391|0.052013|0.057055|0.089317|0.108183|0.122553|0.118854|0.238385|0.197397|0.147147|0.144299|0.098187|0.115188|0.500000| |2.185696|2.199695|2.525678|3.017621|2.980567|2.486267|18.570517|4.967985|3.419605|3.754528|2.443159|2.895756|2.890403|2.424476|2.406340|2.323735|2.202321|1.940739|1.986023|2.071469|5.313238|4.081319|4.526623|6.778837|12.353913|0.182447|7.246404|4.621716|17.637866|8.852766|5.480435|4.273271|31.131672|7.113370|0.054612|0.055115|0.093800|0.074730|0.071002|0.058172|0.067086|0.058257|0.051685|0.049716|0.059046|0.050060|0.052741|0.057396|0.092730|0.122670|0.111219|0.109345|0.167388|0.208365|0.195226|0.211060|0.112220|0.117608|0.301713|0.500000| |1.655425|1.698033|1.918193|2.155098|2.068596|1.803113|13.525870|3.445628|2.570524|3.017193|1.944205|2.405564|2.496977|2.089270|2.224640|2.287418|2.345106|2.045930|1.998293|1.960327|4.146518|3.004771|3.610595|4.454089|7.806989|0.194986|4.379090|3.739160|6.572906|8.535195|17.715826|8.927229|37.752259|5.714295|0.042182|0.043858|0.061882|0.068687|0.069385|0.056918|0.073679|0.064229|0.056587|0.051778|0.059996|0.050415|0.049935|0.052721|0.073040|0.079464|0.105916|0.089269|0.134577|0.106367|0.128948|0.102512|0.094189|0.115314|0.187672|0.134845|0.500000| |1.531038|1.545392|1.709739|1.911215|1.883821|1.672744|12.867817|2.948340|2.145671|2.570288|1.703538|2.122944|2.173210|1.778830|1.860272|1.962568|1.999518|1.754341|1.678976|1.655662|3.271557|2.279454|2.525818|2.896422|4.873550|0.110733|3.262642|2.908751|4.040723|5.683479|8.772698|17.789549|55.448432|5.438388|0.039425|0.040002|0.056645|0.055472|0.059722|0.050228|0.060646|0.056409|0.048586|0.045453|0.049110|0.042848|0.043153|0.044195|0.056816|0.061213|0.073302|0.063534|0.082458|0.073765|0.102842|0.079555|0.079165|0.086575|0.106987|0.096300|0.204437|0.500000| |2.116600|2.068493|2.311253|2.769577|2.889813|2.455965|19.230809|4.322141|2.871517|3.237733|2.176617|2.596945|2.553271|2.095809|2.060471|2.078246|1.969895|1.725526|1.714351|1.782820|4.184868|2.917976|3.021096|3.734563|6.741556|0.124489|5.160836|3.768114|6.621961|8.745633|5.677665|5.435456|55.564760|17.768358|0.053475|0.051693|0.094018|0.061615|0.064362|0.053311|0.058642|0.053734|0.046108|0.045030|0.049787|0.043507|0.046473|0.048548|0.069563|0.084529|0.079955|0.074136|0.096446|0.105283|0.180907|0.140116|0.103135|0.097364|0.142359|0.202723|0.122152|0.116932|0.500000| 2146.084607 -12410.499493 4654.566689 -232.982114 -5842.830312 3695.196976 -2147.633336 2.000722 4112DFDFFFFFFFEA 44DD7F2DD3B5FB5A 445D9CCA9E544FAA 42D0BC54BE616404 C091A00000000000 45308E2FF9CC7CFC