Version2.4 2021-05-26T08:30:43Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 21-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1(Cc2c(c([nH+]c3c2c(c(s3)C(=O)c4ccc(cc4)Br)N)N5CCOCC5)CN1C)C C20814595 RHF 6-31G(d) (6D,7F) CC1(Cc2c(c([nH+]c3c2c(c(s3)C(=O)c4ccc(cc4)Br)N)N5CCOCC5)CN1C)C C01[X(C24H28Br1N4O2S1)] 174 C1 555 Brc1ccc(cc1)C(=O)c1sc2c(c1N)c1CC(C)(C)N(Cc1c([nH+]2)N1CCOCC1)C Brc1ccc(cc1)C(=O)c1sc2c(c1N)c1CC(C)(C)N(Cc1c([nH+]2)N1CCOCC1)C CN1Cc2c(CC1(C)C)c3c(N)c(sc3[nH+]c2N4CCOCC4)C(=O)c5ccc(Br)cc5 InChIKey=UGNNMDXWWRPWRF-UHFFFAOYSA-O InChI=1S/C24H27BrN4O2S/c1-24(2)12-16-17(13-28(24)3)22(29-8-10-31-11-9-29)27-23-18(16)19(26)21(32-23)20(30)14-4-6-15(25)7-5-14/h4-7H,8-13,26H2,1-3H3/p+1 InChI=1/C24H27BrN4O2S/c1-24(2)12-16-17(13-28(24)3)22(29-8-10-31-11-9-29)27-23-18(16)19(26)21(32-23)20(30)14-4-6-15(25)7-5-14/h4-7H,8-13,26H2,1-3H3/p+1/fC24H28BrN4O2S/h27H/q+1 CC1(Cc2c(c([nH+]c3c2c(c(s3)C(=O)c4ccc(cc4)Br)N)N5CCOCC5)CN1C)C C01[X(C24H28Br1N4O2S1)] 174 C01 555 Brc1ccc(cc1)C(=O)c1sc2c(c1N)c1CC(C)(C)N(Cc1c([nH+]2)N1CCOCC1)C CN1C[C]2[C](N[C]3[C]([C]2CC1(C)C)[C]([NH2])[C](S3)C(=O)[C]1[CH][CH][C]([CH][CH]1)Br)N1CCOCC1 CN1C[C]2[C](CC1(C)C)[C]3[C](N)[C](S[C]3N[C]2N4CCOCC4)C(=O)[C]5[CH][CH][C](Br)[CH][CH]5 InChIKey=VWQMWHMRDOFEML-UHFFFAOYSA-N InChI=1S/C24H28BrN4O2S/c1-24(2)12-16-17(13-28(24)3)22(29-8-10-31-11-9-29)27-23-18(16)19(26)21(32-23)20(30)14-4-6-15(25)7-5-14/h4-7,27H,8-13,26H2,1-3H3 InChI=1/C24H28BrN4O2S/c1-24(2)12-16-17(13-28(24)3)22(29-8-10-31-11-9-29)27-23-18(16)19(26)21(32-23)20(30)14-4-6-15(25)7-5-14/h4-7,27H,8-13,26H2,1-3H3 3842.0967264986 -4259.8458049 1-A 26660.7276 133 422 555 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.13595 -92.11836 -64.54744 -58.68697 -58.68503 -58.68494 -20.67495 -20.65568 -15.81970 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2.1830 2.4075 4.1369 3.4921 2.3547 4.3045 2.7650 4.5295 4.4797 4.5933 3.1937 2.3767 1.6681 1.3630 1.5621 3.0050 3.7051 2.2705 1.5411 2.3971 2.4828 2.7765 1.3972 3.3263 2.1360 2.1967 2.4399 1.3937 1.4300 1.9357 5.7134 2.9720 1.6882 1.9711 2.9678 2.6939 2.8586 2.3910 1.4574 2.4848 3.5924 3.8831 2.6316 1.2189 2.3483 2.7913 3.7945 1.2052 2.4207 2.7146 1.6069 3.0681 1.2787 2.1736 1.3750 1.7584 1.3064 1.2223 2.6431 1.2844 2.7521 2.2440 1.4138 2.5008 1.4677 1.2812 3.5173 1.6138 1.2540 1.4805 1.1130 1.1853 1.0598 1.0678 1.0843 1.0915 1.0736 1.0608 1.1145 2.6949 1.0711 1.1045 1.2069 2.2054 1.1035 3.3825 5.6359 6.3625 3.4084 4.0298 1.3900 10.2267 1.0748 1.0708 1.0567 1.0746 1.0690 1.0687 1.0371 1.0695 1.0392 1.0864 1.1022 1.0956 1.1033 1.1030 1.0886 1.1030 1.0940 1.0979 1.1000 1.0912 1.0972 1.0905 1.0907 1.0956 1.0967 1.0513 1.0796 1.0986 0.0009 0.0034 0.0041 0.0040 0.0074 0.0077 0.0122 0.0158 0.0316 0.0426 0.0641 0.0572 0.1227 0.0434 0.1041 0.0756 0.0462 0.1461 0.1957 0.0481 0.1860 0.1645 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7.1271 7.1129 7.2058 7.3505 7.4264 7.5117 7.5399 8.9000 9.3086 9.9429 0.0550 0.3788 1.0228 1.1994 0.8989 1.3977 0.5423 5.5229 1.2812 0.8070 0.6736 1.5389 4.1051 1.5049 4.8875 0.5627 2.0689 2.8674 1.5738 1.5450 2.5281 0.9742 2.3029 1.3155 16.7644 12.2675 5.2406 7.9519 45.8788 5.4952 2.3418 54.2243 27.2150 31.0030 3.9317 81.9888 11.2071 2.1520 84.0247 10.1276 7.2372 7.6224 3.2162 3.8285 4.0439 0.9820 7.1228 4.4257 0.1954 14.3884 30.0581 32.5493 1.8141 22.4609 104.3962 5.9200 4.0686 38.6456 59.7081 0.8070 14.9037 26.8589 40.6421 76.5504 3.7627 5.1075 1.2451 19.3734 18.1919 56.8482 74.1115 16.1949 14.2992 34.9454 80.0470 24.6936 5.3205 30.6108 8.7973 18.0743 28.1674 0.6646 13.2475 9.0486 9.3783 174.2014 23.5411 1.6467 5.7772 18.5549 105.0049 110.8850 17.2224 44.3151 6.4075 38.4695 91.7313 30.2292 25.1011 11.6846 65.6171 1.4145 46.8629 347.7050 29.2822 254.2325 40.2423 61.9416 70.9661 31.6982 8.1455 13.5364 104.1355 16.8667 173.7609 11.4576 25.7453 39.9284 22.2322 12.1825 14.6280 43.7642 14.9628 6.7957 5.4432 1.6458 1.3068 5.9598 4.2194 3.8237 1.8787 18.8828 16.4579 125.0378 6.4249 4.3316 4.3234 10.9400 4.0990 59.7266 344.4587 29.6606 633.2764 230.8030 338.1385 241.1309 21.2586 32.8101 58.7910 21.5359 9.7954 17.7346 26.1897 70.3443 6.2240 31.6326 39.8122 20.1594 17.5355 22.2737 36.6521 29.5920 5.5192 24.8936 25.6018 19.2009 24.8535 14.8498 0.2492 1.7138 0.5566 101.0436 114.9132 88.0126 0.1877 1.8754 1.4678 0.9647 3.8809 1.6561 1.7421 3.1122 0.8443 0.6325 0.9471 0.6792 0.7790 0.3048 2.4302 1.2681 0.1966 3.0166 1.0833 0.1851 0.5229 3.4662 1.6188 0.6260 2.3387 0.6603 1.5281 3.1791 1.3237 3.5422 9.0379 11.2535 0.5767 1.8518 1.4217 1.1123 0.4034 4.6893 2.2090 0.1871 0.2905 1.6765 2.3035 2.8959 1.8428 5.8054 1.7032 3.5307 1.3505 6.5119 1.5768 1.4312 7.8575 5.8289 16.4970 1.3395 0.7665 0.8532 2.1345 23.0142 11.0997 2.1271 4.7998 6.8982 12.1640 7.7982 2.7007 2.9587 4.6728 10.6289 6.6529 1.5980 3.4469 3.3888 4.0375 2.3625 1.2990 3.4813 4.9864 5.8695 1.1422 1.0178 3.2061 24.1322 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-0.00680 -0.00011 0.00680 0.99998 -0.00144 0.00012 0.00144 1.00000 1 0.00899 0.00205 0.00172 0.18732 0.04282 0.03581 20.56 34.78 52.64 65.39 75.02 84.09 96.01 106.68 138.77 169.36 181.88 210.89 244.06 245.43 286.72 307.06 324.56 349.74 366.35 367.46 397.84 403.16 416.29 429.28 439.92 461.76 471.29 490.90 496.04 507.80 543.34 557.24 582.35 598.70 604.14 639.17 650.90 661.78 668.08 714.72 737.73 750.31 756.35 788.69 814.34 831.74 852.32 877.72 892.23 947.94 953.28 980.56 993.87 1058.10 1071.29 1087.46 1102.41 1118.05 1150.02 1161.03 1176.52 1213.83 1248.59 1249.94 1347.64 1366.29 1367.47 1377.01 1385.73 1411.48 1454.52 1458.47 1475.12 1493.56 1511.36 1588.78 1592.90 1596.88 1598.23 1600.96 1613.86 1614.98 1621.32 1653.27 1686.69 1705.99 1723.25 1727.86 1758.31 1781.19 1804.02 1808.99 1815.28 1832.88 1852.95 1855.51 1867.49 1884.42 1886.11 1888.36 1922.79 1953.02 1967.56 1993.04 2014.53 2028.85 2032.46 2035.09 2045.91 2082.72 2092.41 2100.29 2148.87 2162.85 2194.34 2210.58 2224.09 2232.61 2237.95 2244.91 2256.70 2264.99 2269.31 2282.15 2329.18 2331.39 2350.65 2356.86 2358.91 2367.51 2368.46 2378.13 2382.95 2388.82 2391.54 2391.76 2395.92 2400.43 2401.23 2432.53 2519.13 2524.88 2584.10 2585.67 2637.44 2777.86 4530.65 4544.12 4564.15 4600.20 4609.57 4617.36 4626.67 4629.75 4636.16 4700.90 4713.16 4715.27 4724.31 4734.94 4747.23 4750.23 4758.14 4767.26 4771.17 4785.70 4803.55 4866.36 4891.00 4908.15 4914.69 5453.90 5504.09 5639.09 0.532732 0.560288 0.561232 0.472882 -4259.313073 -4259.285517 -4259.284573 -4259.372923 2.963274D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE CC1(Cc2c(c([nH+]c3c2c(c(s3)C(=O)c4ccc(cc4)Br)N)N5CCOCC5)CN1C)C C20814595 RHF 6-31G(d) (6D,10F) C1 515.111634 |X|Y|Z| 71.046850 145.015498 24.177501 62.920218 26 6 7 8 16 21 3 1 1 |36.858105| |12.423407|36.858105| |7.728240|12.390229|36.858105| |4.957079|7.426683|12.633263|36.858105| |4.419331|6.649930|7.624549|13.685609|36.858105| |3.341034|4.499287|5.035819|7.905362|13.649525|36.858105| |2.943974|3.778932|4.491762|6.961295|8.067354|14.168362|53.358707| |2.556855|3.173533|3.635206|5.098855|5.840075|9.428688|25.940050|0.500000| |3.066339|3.874802|5.024198|7.948051|6.920143|8.063334|19.260837|0.261031|36.858105| |3.797009|4.929782|7.457347|13.426015|7.845735|6.849090|10.945929|0.162082|13.827624|36.858105| |3.446143|4.081810|5.964696|7.225910|4.947481|4.504342|7.180861|0.121417|8.166611|12.972078|36.858105| |2.768932|3.200316|4.218145|5.098462|4.017290|4.006459|6.846244|0.123984|7.760589|8.101013|13.952975|36.858105| |2.502951|2.968526|3.694461|4.836249|4.270359|4.812388|9.594715|0.186659|11.136796|7.284336|7.276102|10.775007|388.023441| |2.413100|2.669804|3.357133|3.729659|3.076286|3.057863|4.967855|0.094442|4.874732|5.046190|7.559544|12.886087|47.549300|36.858105| |2.471396|2.661905|3.332647|3.487730|2.846610|2.742103|4.267153|0.080468|4.024522|4.444231|6.676174|8.220693|34.466154|15.846441|73.516695| |2.040572|2.240883|2.702616|3.016698|2.627383|2.703219|4.415202|0.087890|4.062632|3.876018|4.940055|7.374257|42.196421|12.739261|14.463498|36.858105| |1.855725|2.009986|2.361015|2.566162|2.270949|2.324537|3.697855|0.074293|3.258755|3.149034|3.863587|5.116683|31.237087|7.704021|11.832902|13.685800|36.858105| |1.642427|1.769689|2.036483|2.211211|2.007224|2.080202|3.280866|0.067260|2.784921|2.640632|3.078614|3.880520|26.005702|5.074072|8.053258|7.913788|13.795914|36.858105| |1.579347|1.707607|1.959443|2.154822|1.985201|2.088517|3.314894|0.069062|2.770259|2.566738|2.911536|3.657217|26.068153|4.472871|6.858187|6.889205|7.979318|13.745534|36.858105| |1.684832|1.837423|2.135411|2.392563|2.202194|2.340630|3.783258|0.079154|3.197462|2.903956|3.282947|4.239375|31.237901|5.016920|7.251027|7.909525|6.864546|7.903261|13.779940|36.858105| |1.918614|2.112726|2.521314|2.866144|2.569015|2.710846|4.477126|0.091594|3.992205|3.632895|4.298756|6.053758|42.031148|7.521484|9.651476|13.706685|7.932162|6.865129|7.979218|13.757214|36.858105| |1.367308|1.466025|1.646198|1.791649|1.685135|1.777890|2.762029|0.058172|2.224993|2.066670|2.266005|2.697205|19.727594|3.098506|4.987256|4.092847|4.611609|6.706931|10.083150|6.715210|4.611039|2539.412838| |3.802946|4.226415|6.247974|6.033660|4.203875|3.649202|5.377275|0.093786|5.259329|7.661399|14.001464|7.882933|34.378311|6.376133|12.339281|4.263359|3.542808|2.837506|2.635907|2.886197|3.641097|71.120375|53.358707| |2.912855|3.749545|3.860396|5.158826|7.814589|13.807889|11.100523|0.212446|5.297433|4.580310|3.402229|3.152986|26.923862|2.538815|4.091254|2.321137|2.039275|1.864901|1.889029|2.098562|2.360391|56.033233|3.929996|53.358707| |2.716511|3.343571|3.404209|4.263995|5.928065|7.827563|7.788179|0.155589|4.217700|3.805816|2.968482|2.765513|22.907283|2.285517|3.714126|2.115823|1.862035|1.721889|1.763773|1.968596|2.188554|52.988662|3.523247|17.543174|36.858105| |2.418935|2.886335|2.813402|3.308844|4.321537|5.150759|5.590326|0.115495|3.228989|2.974770|2.428465|2.289931|18.639180|1.949404|3.207013|1.829201|1.641674|1.535910|1.571121|1.728126|1.884909|48.047938|2.958117|10.643265|12.533212|36.858105| |2.148996|2.542720|2.507331|2.953956|3.713419|4.588498|5.360782|0.116920|3.084299|2.757732|2.289473|2.210613|18.428384|1.898251|3.104249|1.808409|1.635688|1.543236|1.583657|1.733593|1.869999|48.810534|2.769224|9.307504|7.955351|13.642407|73.516695| |2.234275|2.693510|2.655568|3.176999|4.023145|5.146190|6.036679|0.133125|3.391118|2.980735|2.448842|2.370601|20.079547|2.018756|3.289278|1.915632|1.738027|1.631401|1.660418|1.807047|1.958167|50.833646|2.931887|10.700736|6.750210|8.186309|24.286903|36.858105| |2.448867|3.036576|3.119588|3.975085|5.180496|7.786888|9.232826|0.213879|4.619013|3.816045|3.006572|2.918611|25.926887|2.405643|3.849919|2.260835|2.014613|1.867942|1.900935|2.095280|2.312935|57.033758|3.475463|17.675646|7.812637|6.729229|14.129206|12.506639|36.858105| |5.038355|7.812304|6.554294|7.515006|12.551277|7.587414|6.932335|0.116901|4.465326|4.971289|3.687835|3.083325|22.682502|2.506996|4.237946|2.184135|1.936484|1.736419|1.715081|1.874260|2.135727|50.557068|4.624073|8.981341|5.660172|4.575261|6.657827|3.957944|4.550215|36.858105| |7.724257|12.984875|7.941214|6.755469|7.721668|5.082177|5.370736|0.092605|3.779078|4.497031|3.578484|2.917849|20.236690|2.429417|4.217072|2.091502|1.867453|1.668033|1.634813|1.774074|2.021547|48.234760|4.792357|6.027386|4.111794|3.517488|5.252102|3.054202|3.388289|13.194403|53.358707| |6.583810|7.655156|5.084333|4.465367|5.083244|3.906791|4.266832|0.076774|2.963110|3.351725|2.814502|2.386985|16.715205|2.051265|3.586589|1.803757|1.636019|1.480458|1.454090|1.564328|1.752566|43.563781|3.820946|5.070390|3.628339|3.351341|4.990535|2.848912|2.986010|8.022815|17.830663|36.858105| |7.618191|12.361179|7.538593|5.951856|5.652592|4.213059|4.922258|0.085958|3.662512|4.411678|3.734635|3.043182|20.488791|2.570872|4.556032|2.180218|1.990946|1.756420|1.679301|1.782973|2.032276|49.261347|5.155053|4.922661|3.085862|2.753198|4.458486|2.749249|3.074267|6.418518|10.267888|5.947504|36.858105| |17.563428|8.831106|7.285978|4.645794|3.933547|3.068872|3.814155|0.067922|3.004055|3.766341|3.599282|2.871984|17.892030|2.542989|4.730007|2.123995|1.943641|1.706710|1.624505|1.721645|1.966849|47.621954|5.684557|3.610979|2.451758|2.184607|3.512091|2.067612|2.280197|4.163454|7.650265|4.816579|6.828657|0.500000| |17.597215|8.728723|5.554691|4.045640|3.827195|3.005449|3.593048|0.064771|2.692669|3.204218|2.920592|2.423897|15.902914|2.143790|3.896549|1.844941|1.697616|1.516966|1.459989|1.547195|1.741326|43.459102|4.302701|3.690787|2.545013|2.330246|3.695785|2.160592|2.316402|4.557855|9.060773|6.889487|7.082618|0.303539|0.500000| |17.569412|8.773240|6.876948|4.654309|4.189371|3.212153|3.864576|0.068851|2.953397|3.633024|3.324616|2.687105|17.255163|2.354832|4.282525|2.001998|1.810525|1.609168|1.558532|1.672284|1.902458|46.020953|5.006359|3.839185|2.714466|2.405603|3.755967|2.156043|2.354107|4.734092|9.846721|6.369105|5.514750|0.300908|0.300708|0.500000| |6.883538|8.837228|17.628814|8.979500|5.764055|4.272673|5.530690|0.093392|4.760594|7.071103|6.589696|4.525856|26.504446|3.668571|6.679074|2.872879|2.532386|2.151494|2.035070|2.192869|2.603086|57.698811|10.546107|4.562018|2.935075|2.480817|4.028988|2.424561|2.835797|4.968726|7.756599|4.143176|7.153019|0.213319|0.142837|0.162991|0.500000| |7.441189|8.888150|17.512936|9.056167|6.246171|4.432748|5.483664|0.092630|4.509172|6.434342|5.590670|4.018473|24.573129|3.277916|5.842937|2.651253|2.302872|1.995083|1.933463|2.120648|2.503349|55.399338|8.410549|4.775042|3.257180|2.690675|4.220556|2.453383|2.841557|5.595222|9.607939|4.821143|5.528970|0.193984|0.146326|0.218201|0.301870|0.500000| |1.897530|2.040652|2.388250|2.544054|2.231860|2.248620|3.519738|0.069873|3.095569|3.079407|3.824383|4.830704|28.237702|7.195677|12.807985|8.917237|17.745424|8.940692|5.665132|4.950079|5.647904|130.405483|4.960879|2.682293|1.790438|1.587164|2.804857|1.683560|1.940302|1.919754|2.544041|1.640511|2.042065|0.055797|0.048284|0.051064|0.072409|0.064284|0.500000| |1.541594|1.648724|1.872488|2.007440|1.834330|1.891886|2.939291|0.060269|2.454038|2.349627|2.702271|3.278327|22.041754|4.133878|6.920685|5.633217|8.918579|17.760342|8.915669|5.637219|4.951292|220.217746|3.460963|2.331346|1.584148|1.427827|2.557554|1.521966|1.723476|1.607913|2.111656|1.388706|1.649267|0.044601|0.039809|0.041856|0.055095|0.050856|0.214924|0.500000| |1.605077|1.748549|2.013637|2.261721|2.117162|2.271752|3.647919|0.077372|2.999192|2.698712|2.956103|3.675393|28.186549|4.080883|6.062408|5.632188|4.951238|5.635712|8.925697|17.760038|8.905591|220.457293|3.547385|2.812074|1.966178|1.731764|3.096667|1.797886|2.071218|1.814017|2.327924|1.517137|1.688282|0.045221|0.041084|0.044494|0.056713|0.055868|0.107540|0.124167|0.500000| |2.017161|2.237788|2.700394|3.131515|2.810843|2.990600|5.005301|0.102149|4.503483|4.025369|4.655573|6.458320|47.126371|6.882464|8.915726|8.869524|5.633301|4.949670|5.678474|8.977759|17.730608|130.730067|5.205236|3.510192|2.413947|2.044836|3.576248|2.087797|2.490610|2.303999|2.950126|1.864234|2.116698|0.056934|0.050558|0.056004|0.076072|0.075280|0.123949|0.107527|0.216350|0.500000| |4.373115|4.715278|7.321622|6.284792|4.334000|3.616038|5.101716|0.088642|4.740067|6.947740|9.411221|5.919430|29.399460|4.939357|9.436875|3.591567|3.037244|2.510327|2.371164|2.601413|3.203290|65.403403|26.073665|3.920183|2.634207|2.208524|3.618850|2.129085|2.495236|3.595125|5.289459|3.061036|3.951103|0.134009|0.097785|0.120880|0.243809|0.225628|0.086003|0.063069|0.066490|0.094977|0.500000| |3.281076|3.507147|4.751385|4.595874|3.457919|3.110712|4.628104|0.083347|4.403479|5.687553|9.544653|7.420279|31.583748|7.341679|16.881407|4.699235|3.952428|3.089054|2.810326|3.036027|3.843928|74.886279|25.952420|3.455605|2.303982|1.965035|3.302658|1.960435|2.295465|2.883700|4.060711|2.460714|3.230399|0.100975|0.077715|0.088842|0.158814|0.133016|0.115376|0.076822|0.075012|0.108959|0.315173|0.500000| |2.457512|2.953771|3.108483|3.898261|5.005391|6.706684|7.772765|0.165778|4.246214|3.692475|2.942582|2.813635|23.906500|2.334854|3.751140|2.194849|1.917664|1.785489|1.852680|2.092254|2.316397|55.752296|3.453594|12.292259|17.503595|8.881014|12.625059|5.871831|7.009692|4.482980|4.747923|3.079681|2.723085|0.062627|0.063632|0.068792|0.075782|0.084106|0.050673|0.045399|0.058699|0.071842|0.071225|0.063351|0.500000| |3.025291|3.730551|3.771074|4.633045|6.518720|7.314630|7.124326|0.133850|4.120347|3.941523|3.063343|2.778295|22.093974|2.295453|3.770174|2.095844|1.839026|1.690584|1.724422|1.925105|2.155078|51.622882|3.698594|12.296613|17.646834|8.838884|10.174210|5.028239|5.649527|6.636123|6.596024|4.218931|3.280470|0.074484|0.078023|0.085570|0.087729|0.102537|0.049311|0.043200|0.053249|0.066272|0.078442|0.066633|0.301722|0.500000| |2.245697|2.608366|2.552397|2.932306|3.669326|4.194470|4.777018|0.099074|2.865085|2.669488|2.229207|2.113308|16.985656|1.823303|3.011533|1.723072|1.549973|1.459102|1.500450|1.651567|1.788280|46.246507|2.745576|7.677110|8.876742|17.631655|16.918056|5.887332|5.025104|3.885745|4.302549|3.076493|2.453374|0.056476|0.060268|0.062937|0.062824|0.069217|0.041532|0.037734|0.046296|0.053994|0.057262|0.051063|0.216979|0.209852|0.500000| |2.580369|3.090624|2.897499|3.318622|4.375092|4.864768|5.142455|0.102974|3.047577|2.894295|2.367367|2.200777|17.506180|1.880479|3.126224|1.749571|1.580664|1.473482|1.494046|1.629669|1.780081|45.688382|2.926772|9.504393|8.861678|17.518848|16.538837|7.294399|5.855018|5.064662|5.253043|3.820503|2.978949|0.063927|0.070040|0.070730|0.070648|0.076246|0.042793|0.038220|0.045060|0.053218|0.061035|0.053867|0.173823|0.214998|0.300161|0.500000| |2.004846|2.373218|2.355997|2.776425|3.361280|4.185883|5.263384|0.119263|3.061626|2.674853|2.254849|2.223119|18.936615|1.922041|3.128966|1.850503|1.695032|1.606343|1.639613|1.773083|1.897484|50.709468|2.708344|7.704779|5.028302|5.885162|16.922005|17.632955|8.866890|3.264737|3.569854|2.467400|2.449116|0.052142|0.054067|0.053707|0.060804|0.060717|0.045547|0.041805|0.049158|0.055727|0.054233|0.050856|0.131535|0.110170|0.132312|0.148043|0.500000| |2.356214|2.855581|2.726123|3.189627|4.069601|4.881093|5.516619|0.115797|3.197043|2.907397|2.391975|2.279429|18.773485|1.948236|3.210360|1.830536|1.671954|1.562561|1.575162|1.700075|1.846436|48.207725|2.905833|9.600444|5.896489|7.306389|16.532352|17.526301|8.872689|4.251717|4.436867|3.106113|2.980869|0.060128|0.064078|0.062493|0.069053|0.069189|0.045393|0.040687|0.046671|0.054311|0.058888|0.053831|0.135000|0.132001|0.148012|0.218821|0.300164|0.500000| |2.481770|3.099985|3.187596|4.055687|5.093008|7.251400|9.259029|0.209190|4.812326|3.954815|3.131262|3.054917|27.295690|2.511967|4.018315|2.350725|2.110354|1.945854|1.957866|2.136146|2.364561|58.419662|3.602144|12.393500|5.651430|5.024446|10.182660|8.862359|17.583794|4.397761|4.533518|2.915300|3.265419|0.064900|0.065303|0.065170|0.082156|0.078862|0.056854|0.050002|0.057972|0.069703|0.070808|0.066109|0.142582|0.126537|0.110175|0.131583|0.210322|0.216746|0.500000| |2.238035|2.715384|2.863593|3.639617|4.476433|6.596854|9.167243|0.245311|4.636684|3.675950|2.964702|2.967622|27.425298|2.459460|3.883227|2.357814|2.088289|1.953833|2.017154|2.247584|2.463810|60.665650|3.390484|12.178569|6.944360|5.852082|12.666126|8.923490|17.459791|3.824607|4.059691|2.633176|2.705223|0.058505|0.058515|0.060423|0.073117|0.073863|0.055175|0.049809|0.062380|0.074287|0.067182|0.062844|0.205838|0.141730|0.131516|0.134241|0.218504|0.174419|0.298733|0.500000| |4.520030|6.687565|5.381233|6.021429|8.954287|6.796484|6.446583|0.112367|4.085384|4.362611|3.340037|2.866833|21.430015|2.362894|3.998937|2.080986|1.869720|1.684791|1.657577|1.793774|2.024636|49.177449|4.190375|8.890222|5.220239|4.576413|6.926677|4.324415|4.823198|17.445316|12.206740|7.143885|6.810152|0.106517|0.119765|0.113403|0.123184|0.124891|0.051738|0.043601|0.048155|0.059919|0.088329|0.073784|0.114447|0.154839|0.105218|0.146944|0.098533|0.136571|0.134654|0.108080|0.500000| |4.230734|5.711338|5.056659|5.768657|8.910549|6.947406|6.403117|0.112473|3.996677|4.234842|3.244138|2.794702|20.950065|2.306496|3.882208|2.046883|1.816333|1.646929|1.643704|1.803465|2.034953|48.915272|4.064408|9.538513|7.004382|5.620720|7.528609|4.225834|4.656605|17.651562|12.713025|7.488822|4.774028|0.098150|0.109246|0.116375|0.110964|0.130741|0.049646|0.042385|0.048994|0.061367|0.087930|0.071765|0.144749|0.256707|0.132483|0.177329|0.094841|0.124789|0.117853|0.109453|0.305220|0.500000| |4.923420|5.613716|4.284219|4.039410|4.804144|3.888972|4.201030|0.076685|2.847846|3.125118|2.617076|2.260718|16.144303|1.947190|3.375466|1.733925|1.569915|1.431451|1.417782|1.531543|1.705893|42.730536|3.494622|5.288582|4.004343|3.784389|5.433982|3.006667|3.079290|7.489274|12.506502|17.586536|4.586660|0.107071|0.139541|0.140159|0.098016|0.116492|0.043419|0.037267|0.041565|0.050675|0.077273|0.063061|0.092938|0.133374|0.097884|0.122463|0.071600|0.090820|0.081307|0.075533|0.182484|0.236860|0.500000| |7.477473|6.916622|4.743393|3.947160|4.190231|3.303462|3.756736|0.068165|2.677825|3.061511|2.663118|2.258482|15.489021|1.972070|3.491473|1.732682|1.578840|1.429457|1.400627|1.501478|1.678387|42.060031|3.716671|4.245993|3.083095|2.863676|4.338959|2.457568|2.570476|5.747927|12.377428|17.661060|5.251423|0.146357|0.234053|0.217216|0.110554|0.131468|0.044134|0.037349|0.040426|0.049444|0.083924|0.067139|0.074937|0.098754|0.074740|0.088597|0.060191|0.073402|0.069968|0.064272|0.143200|0.151730|0.304211|0.500000| |5.770786|6.698358|4.469452|4.014922|4.581731|3.667458|4.045375|0.073658|2.791351|3.099728|2.627407|2.259621|15.958538|1.955791|3.422717|1.730338|1.584271|1.437827|1.407087|1.502757|1.673767|42.338893|3.554228|4.874694|3.387106|3.240475|4.948068|2.884678|2.965198|6.961101|12.127680|17.471751|6.338630|0.123839|0.181702|0.143793|0.106301|0.113105|0.044317|0.037644|0.040416|0.049038|0.077511|0.064170|0.079752|0.104793|0.081666|0.104667|0.069801|0.089648|0.081876|0.071746|0.205473|0.174811|0.301305|0.300313|0.500000| |7.124262|8.778646|6.792829|5.195859|4.590935|3.611374|4.449834|0.078704|3.437520|4.180095|3.773844|3.075264|20.021810|2.651683|4.798100|2.227232|2.055626|1.800825|1.701336|1.789665|2.041513|49.750184|5.432017|4.219946|2.675323|2.401291|3.956480|2.435462|2.720894|4.788904|7.522862|4.611762|17.566180|0.209424|0.183538|0.142492|0.210956|0.142994|0.059357|0.047182|0.046717|0.058400|0.114178|0.095740|0.067118|0.078166|0.060175|0.071070|0.061393|0.072421|0.080924|0.067870|0.137602|0.105430|0.103057|0.121044|0.134285|0.500000| |5.494648|8.650753|6.878301|6.556556|6.589160|4.997572|5.766042|0.099503|4.194438|4.900136|3.960381|3.271657|22.809621|2.705572|4.697108|2.303266|2.094614|1.846418|1.768137|1.882046|2.150206|51.677205|5.175737|5.728846|3.398038|3.000557|4.927783|3.131336|3.593586|6.939219|9.069824|5.165991|17.556776|0.141318|0.141508|0.122293|0.181085|0.138955|0.059410|0.048004|0.049445|0.062213|0.106362|0.089814|0.082639|0.097742|0.072749|0.089797|0.077002|0.094855|0.109279|0.086060|0.223671|0.139422|0.118334|0.122005|0.153544|0.302763|0.500000| |6.802278|8.747074|5.480838|4.602616|4.696525|3.697831|4.291302|0.076904|3.106021|3.574863|3.085119|2.600847|17.843057|2.244312|3.979445|1.943111|1.793090|1.601805|1.537749|1.624776|1.827502|45.682688|4.252040|4.571264|2.930165|2.708034|4.384719|2.690668|2.901581|5.802576|9.316934|6.478236|17.576222|0.162889|0.206929|0.141001|0.143218|0.123499|0.051014|0.042045|0.042999|0.052733|0.090557|0.076041|0.071303|0.086324|0.067313|0.083160|0.066750|0.082661|0.084988|0.070544|0.182654|0.126802|0.135486|0.158263|0.219305|0.302692|0.301948|0.500000| 4257.868366 -17768.348831 5698.695772 -292.372801 -8104.157494 3842.097003 -4262.060491 2.000985 40B3AFFFFFFFFFE7 44D344CB18E63DB7 44527991D4C1E8B7 423D3DBC91BFFFFC B8395127566413A1 44378779807973DF