Version2.1 2020-12-26T02:27:15Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 30-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](C(=O)Nc1ccc(cc1)N2CCOCC2)Sc3c4ccccc4nc(n3)c5cccs5 C09221172 RHF 6-31G(d) (6D,7F) C[C@@H](C(=O)Nc1ccc(cc1)N2CCOCC2)Sc3c4ccccc4nc(n3)c5cccs5 C01[X(C25H24N4O2S2)] 165 C1 551 O=C([C@@H](Sc1nc(nc2c1cccc2)c1cccs1)C)Nc1ccc(cc1)N1CCOCC1 O=C([C@@H](Sc1nc(nc2c1cccc2)c1cccs1)C)Nc1ccc(cc1)N1CCOCC1 C[C@H](Sc1nc(nc2ccccc12)c3sccc3)C(=O)Nc4ccc(cc4)N5CCOCC5 InChIKey=UCOIBLSBSMDDLG-KRWDZBQOSA-N InChI=1S/C25H24N4O2S2/c1-17(24(30)26-18-8-10-19(11-9-18)29-12-14-31-15-13-29)33-25-20-5-2-3-6-21(20)27-23(28-25)22-7-4-16-32-22/h2-11,16-17H,12-15H2,1H3,(H,26,30)/t17-/m0/s1 InChI=1/C25H24N4O2S2/c1-17(24(30)26-18-8-10-19(11-9-18)29-12-14-31-15-13-29)33-25-20-5-2-3-6-21(20)27-23(28-25)22-7-4-16-32-22/h2-11,16-17H,12-15H2,1H3,(H,26,30)/t17-/m0/s1/f/h26H C[C@@H](C(=O)Nc1ccc(cc1)N2CCOCC2)Sc3c4ccccc4nc(n3)c5cccs5 C01[X(C25H24N4O2S2)] 165 C01 551 O=C([C@@H](Sc1nc(nc2c1cccc2)c1cccs1)C)Nc1ccc(cc1)N1CCOCC1 O=C([C@@H](S[C]1[N][C]([N][C]2[C]1[CH]=[CH][CH][CH]2)C1=[CH][CH]=[CH]S1)C)N[C]1[CH][CH][C]([CH][CH]1)N1CCOCC1 C[C@H](S[C]1[N][C]([N][C]2[CH][CH]C=C[C]12)c3sccc3)C(=O)N[C]4[CH][CH][C]([CH][CH]4)N5CCOCC5 InChIKey=UCOIBLSBSMDDLG-KRWDZBQOSA-N InChI=1S/C25H24N4O2S2/c1-17(24(30)26-18-8-10-19(11-9-18)29-12-14-31-15-13-29)33-25-20-5-2-3-6-21(20)27-23(28-25)22-7-4-16-32-22/h2-11,16-17H,12-15H2,1H3,(H,26,30)/t17-/m0/s1 InChI=1/C25H24N4O2S2/c1-17(24(30)26-18-8-10-19(11-9-18)29-12-14-31-15-13-29)33-25-20-5-2-3-6-21(20)27-23(28-25)22-7-4-16-32-22/h2-11,16-17H,12-15H2,1H3,(H,26,30)/t17-/m0/s1/f/h26H 3374.4289435502 -2123.2356888 1-A 28650.2422 125 426 551 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.97063 -91.97054 -20.55822 -20.54215 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1544.3760 1563.0383 1564.7418 1572.6347 1589.3816 1604.1940 1633.4925 1635.3527 1638.4670 1640.4160 1648.2866 1654.3464 1664.5246 1669.4879 1694.3769 1717.1197 1754.5510 1771.5985 1792.4365 1793.3450 1825.6356 1826.7059 1966.5905 3141.1374 3149.8894 3189.2218 3198.9855 3220.3580 3263.8170 3281.2271 3283.0229 3286.6961 3291.5885 3313.8385 3332.7036 3344.6137 3369.5845 3376.2667 3384.4555 3395.4043 3399.6416 3400.9221 3406.6861 3429.9532 3439.2698 3459.8775 3877.9726 4.2050 7.3477 4.7693 6.7822 5.9417 3.8201 5.8640 6.0941 5.3597 5.0088 5.2844 5.1951 5.7881 6.9085 4.9689 5.8775 5.5251 4.3021 7.7176 4.9504 1.2532 1.9233 2.6436 6.6053 4.0760 4.6672 5.7753 5.9380 5.7958 3.5284 2.7179 5.6857 3.3609 4.8540 3.6210 3.3627 5.2743 2.7676 8.2015 1.4522 2.8567 3.2761 8.3927 2.4616 3.1314 8.3665 3.2855 6.5263 5.6086 5.4500 7.1508 6.3144 3.3285 3.8154 5.6071 5.7182 1.1960 3.4205 1.3545 4.7006 4.1988 4.8036 5.9379 1.3687 7.0058 5.6654 3.2945 1.5685 1.6011 1.6118 1.4064 2.1646 3.7041 3.5720 1.3774 1.3932 6.0161 4.5240 1.3371 2.2137 1.4333 2.2498 1.8039 2.0816 1.3376 2.5151 2.3715 2.3515 1.4392 1.6802 2.1642 1.2197 2.1661 2.1321 1.7003 2.6528 3.4985 2.2827 1.2001 1.6022 3.3399 1.1874 1.7463 1.7189 2.0238 2.1050 1.4526 1.3897 3.1630 1.2973 6.1757 1.3854 1.5395 2.5906 1.2655 1.5430 2.3684 8.4899 1.3703 1.4341 1.2531 2.7297 1.6180 3.3038 3.4414 1.0527 1.0479 1.0851 1.0987 1.1121 1.1104 3.1101 2.4070 2.3106 5.7624 8.1044 9.4576 3.7374 5.5101 5.6106 8.8082 1.0727 1.0736 1.0687 1.0696 1.0422 1.0927 1.0934 1.0965 1.0970 1.0964 1.0895 1.1011 1.0908 1.0887 1.0919 1.0912 1.0930 1.0906 1.0962 1.0973 1.0947 1.1002 1.0936 1.0782 0.0001 0.0004 0.0004 0.0033 0.0036 0.0042 0.0078 0.0122 0.0146 0.0160 0.0235 0.0392 0.0509 0.0798 0.0672 0.1297 0.1449 0.1155 0.2741 0.1815 0.0508 0.0823 0.1321 0.3454 0.2459 0.3026 0.3915 0.4347 0.5082 0.3698 0.3065 0.6894 0.4196 0.6164 0.4864 0.4821 0.8353 0.4600 1.5184 0.2744 0.5716 0.6783 1.7656 0.5463 0.7228 1.9385 0.8921 1.8724 1.6389 1.6109 2.1543 2.1621 1.2015 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2.7279 1.1709 1.1203 0.8200 2.6613 0.1409 1.2937 0.0977 0.6473 0.0117 73.5445 9.4958 3.6283 0.6071 13.1539 2.7697 5.2971 15.0441 0.1458 1.8630 1.5999 6.7847 23.5370 12.1856 11.8936 2.2580 1.5735 73.6777 16.5675 65.1071 6.6643 16.2340 27.1248 79.6216 15.2622 7.4716 5.7420 10.2489 2.4105 29.6030 7.5521 0.4058 25.5376 25.6027 73.5814 0.5156 0.1305 15.3320 17.9372 0.7312 1.2166 1.1617 3.6566 6.1738 1.3591 0.4611 15.0004 7.1548 7.4108 16.8811 3.2663 23.6375 0.1457 34.2774 6.0612 26.2024 7.3407 127.7160 124.9689 3.9459 2.6702 5.7844 9.0227 213.2935 11.1986 75.5005 49.4576 91.2821 55.8468 93.7299 15.8389 65.2936 36.8802 8.3422 137.2023 0.3563 83.3064 30.6525 77.4212 26.0314 84.2304 8.4515 67.6844 0.2512 45.8385 137.8934 7.5717 18.7325 0.4428 0.5665 35.7559 2.6040 79.7924 233.3658 535.2828 16.6207 317.5705 445.0861 127.4956 10.7605 75.8945 268.0678 23.8871 71.3534 22.1596 108.5989 27.4121 41.1137 27.1240 72.2892 50.9518 20.7957 15.3854 7.5959 28.1864 5.1935 15.2874 19.3008 13.8634 14.5143 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1346.67 1352.88 1358.43 1369.30 1383.57 1414.72 1434.09 1457.33 1462.05 1489.37 1519.93 1530.32 1555.57 1574.03 1579.89 1590.13 1594.11 1603.02 1622.88 1623.99 1631.65 1646.22 1678.17 1718.09 1723.82 1732.48 1741.13 1744.50 1780.77 1810.05 1821.35 1824.20 1853.78 1862.67 1887.61 1901.90 1917.93 1944.27 1964.36 1974.98 1981.98 1988.60 2022.67 2039.58 2075.97 2094.70 2103.35 2104.53 2136.63 2161.98 2163.58 2183.48 2194.25 2207.31 2222.01 2248.86 2251.31 2262.67 2286.77 2308.08 2350.23 2352.91 2357.39 2360.19 2371.52 2380.24 2394.88 2402.02 2437.83 2470.55 2524.41 2548.94 2578.92 2580.22 2626.68 2628.22 2829.49 4519.40 4531.99 4588.58 4602.63 4633.38 4695.90 4720.95 4723.54 4728.82 4735.86 4767.87 4795.02 4812.15 4848.08 4857.69 4869.48 4885.23 4891.33 4893.17 4901.46 4934.94 4948.34 4977.99 5579.54 0.487186 0.514373 0.515317 0.422239 -2122.748503 -2122.721316 -2122.720372 -2122.813449 3.121818D-04 MUNgauss RevisionA2.0 retrievium 26-Dec-2020 DUDE C[C@@H](C(=O)Nc1ccc(cc1)N2CCOCC2)Sc3c4ccccc4nc(n3)c5cccs5 C09221172 RHF 6-31G(d) (6D,10F) C1 476.134070 |X|Y|Z| 152.300012 60.136577 42.878202 73.230456 31 6 7 8 16 24 4 1 2 |36.858105| |12.494275|36.858105| |8.866743|17.658818|0.500000| |7.546006|12.447097|0.245200|36.858105| |6.733429|8.000654|0.164358|15.909747|73.516695| |5.205626|7.861602|0.211130|14.043759|14.949968|53.358707| |3.852899|5.014362|0.135414|7.635214|11.575233|18.351649|36.858105| |3.508674|4.187238|0.108354|6.252027|11.626520|10.481666|13.682023|36.858105| |2.798788|3.223052|0.085519|4.310762|7.974843|6.975742|7.947675|13.798147|36.858105| |2.484002|2.887360|0.079013|3.655005|6.399607|6.142413|6.778663|7.848875|13.683440|36.858105| |2.603955|3.129814|0.088107|3.896241|6.416282|7.047961|7.894506|6.874274|8.011148|13.729654|36.858105| |3.150930|3.999103|0.114187|5.171621|7.926440|10.837911|13.750438|7.969831|6.949601|7.903715|13.748638|36.858105| |2.104485|2.378478|0.065215|2.884957|5.133126|4.597316|4.505290|5.144165|7.876430|13.422835|7.698293|5.103139|53.358707| |1.908155|2.147112|0.059979|2.518481|4.386416|4.018991|3.743756|3.932405|5.169429|7.778430|6.570998|4.464908|17.863033|36.858105| |1.681369|1.853073|0.051512|2.135522|3.776769|3.294001|2.937591|3.145712|3.993205|5.101663|4.333446|3.307658|10.716490|12.528845|36.858105| |1.609576|1.769700|0.048719|2.034318|3.636529|3.088279|2.725182|2.951220|3.719447|4.541360|3.825222|3.003952|9.246736|7.917021|13.612844|73.516695| |1.715044|1.884676|0.051210|2.201835|4.005311|3.311726|2.962162|3.343848|4.378968|5.113552|3.993787|3.161896|10.669216|6.779564|8.194265|24.195471|36.858105| |1.960937|2.199761|0.059523|2.635496|4.775356|4.055948|3.801445|4.366910|6.164552|7.849485|5.517166|4.117747|17.772248|7.945084|6.788852|14.062661|12.534828|36.858105| |6.815976|10.395252|0.223099|7.068782|10.174694|7.630583|4.133317|3.529482|2.855591|2.626033|2.854916|3.533371|3.004653|2.002679|1.741903|3.011806|1.805813|2.105580|388.023441| |5.351444|6.772739|0.194880|4.685627|6.905920|5.749425|3.285855|2.799753|2.364666|2.250332|2.484852|3.010735|2.631977|1.803443|1.581621|2.721628|1.603327|1.837141|76.439664|36.858105| |3.910229|4.562807|0.128145|3.585756|5.574409|4.549213|2.767481|2.413804|2.098133|2.024005|2.222242|2.611490|2.411011|1.665079|1.474544|2.560296|1.503280|1.708117|49.128568|13.289388|36.858105| |3.410708|3.921772|0.104869|3.310991|5.340721|4.195490|2.639345|2.350685|2.066122|1.990720|2.159784|2.493028|2.389671|1.640749|1.460502|2.565091|1.515075|1.721741|43.427811|7.525698|13.458922|36.858105| |2.761070|3.067131|0.083305|2.683011|4.413700|3.469379|2.253006|2.037019|1.829405|1.781697|1.922708|2.169193|2.173885|1.506800|1.354602|2.390754|1.404604|1.578550|30.245162|5.079575|7.925034|14.004671|36.858105| |2.517651|2.748605|0.076802|2.389137|3.909903|3.131531|2.042402|1.843663|1.669109|1.639377|1.775805|1.991792|2.014027|1.412055|1.274708|2.239153|1.304235|1.453513|25.284754|4.527370|6.856572|7.920996|13.469770|36.858105| |2.683208|2.924910|0.084011|2.474655|3.983808|3.255327|2.092424|1.868104|1.681729|1.653903|1.805042|2.043536|2.022814|1.424664|1.281859|2.233044|1.295085|1.443241|26.114561|5.148233|7.839310|6.812441|7.892531|14.006070|36.858105| |3.298852|3.676016|0.107646|2.963461|4.653502|3.859688|2.403784|2.110484|1.866858|1.823212|2.004586|2.318784|2.199342|1.540436|1.373679|2.377694|1.382814|1.553666|33.644598|7.974524|13.596549|7.819394|6.825547|7.932220|13.466270|36.858105| |3.349463|3.661208|0.112336|2.908760|4.520587|3.826783|2.369575|2.070090|1.831346|1.793439|1.979871|2.295876|2.163664|1.526252|1.360885|2.335649|1.350682|1.511472|30.150198|7.001347|7.909975|5.164004|4.593937|5.252966|7.981207|14.048861|53.358707| |4.080624|4.506477|0.146222|3.396286|5.141476|4.436564|2.661820|2.293530|1.997617|1.942087|2.153589|2.543964|2.316427|1.627450|1.441316|2.455771|1.422609|1.600047|34.547924|8.388819|7.085283|4.643158|3.894573|4.085561|5.362967|8.423785|20.119547|36.858105| |5.508193|6.597591|0.221918|4.451293|6.469741|5.608300|3.188257|2.700048|2.289039|2.190965|2.432807|2.951671|2.567784|1.777913|1.560032|2.657147|1.553024|1.767633|50.969711|14.779350|7.995516|5.152014|3.980680|3.845009|4.616173|7.023778|10.998218|14.014584|53.358707| |3.706039|3.900969|0.129397|3.055759|4.675222|4.063278|2.482341|2.155463|1.895717|1.851792|2.049344|2.395000|2.223964|1.577882|1.403472|2.372474|1.364904|1.522339|26.842471|5.315695|4.582807|3.419281|3.009974|3.187081|4.006406|5.274129|10.946792|12.971172|10.812767|36.858105| |4.006422|4.093758|0.140047|3.225554|4.913906|4.297728|2.609825|2.267692|1.983844|1.927203|2.127083|2.495283|2.305720|1.635650|1.452595|2.435567|1.400461|1.560623|25.546293|4.554248|3.750459|2.940731|2.577798|2.650205|3.162130|3.977038|7.108621|7.521756|8.958966|14.086728|36.858105| |3.185718|3.184135|0.104092|2.661003|4.165257|3.597585|2.268289|2.006749|1.790294|1.753475|1.922032|2.202823|2.128411|1.526777|1.368873|2.288555|1.306562|1.439727|20.132944|3.408306|2.978543|2.439880|2.206314|2.298227|2.705639|3.211775|5.556159|5.086429|6.024650|8.212925|13.323010|36.858105| |2.719527|2.743986|0.087425|2.326178|3.683334|3.155926|2.023612|1.801683|1.626329|1.605137|1.757627|1.989338|1.967010|1.418734|1.279650|2.150654|1.223826|1.341885|18.264640|3.153378|2.895929|2.386090|2.208952|2.362150|2.825953|3.262850|5.773969|4.880633|5.382916|7.727294|8.262994|14.134529|36.858105| |2.787968|2.879792|0.091117|2.395180|3.772890|3.230100|2.054644|1.817440|1.635060|1.615157|1.776336|2.021436|1.974063|1.417378|1.275050|2.160011|1.233375|1.359257|20.337160|3.764402|3.602985|2.866932|2.673018|2.955085|3.734379|4.386221|8.665147|6.826798|6.466958|10.981731|7.445403|7.445269|11.076928|388.023441| |17.602079|8.857915|0.214287|5.502693|8.749388|5.774305|3.259589|2.957511|2.436215|2.210685|2.333435|2.782959|2.588717|1.748469|1.551984|2.646218|1.573897|1.782120|45.375277|5.901940|4.273478|3.588164|2.909113|2.696859|2.933075|3.674876|5.189196|4.754941|8.744345|4.289004|4.586670|3.545939|3.022705|22.329075|0.500000| |17.629405|8.824624|0.173685|6.902897|12.920141|6.367273|3.648063|3.477420|2.787100|2.433720|2.496040|2.958475|2.827639|1.864195|1.655213|2.842757|1.719886|1.962873|45.110941|4.669840|3.631604|3.329528|2.715682|2.435889|2.534566|3.034602|4.069522|3.480398|6.105156|3.134618|3.296419|2.718504|2.381363|17.478687|0.299774|0.500000| |17.545331|8.857077|0.212551|6.867518|11.222388|6.896857|3.853814|3.565169|2.851209|2.517240|2.619440|3.146228|2.906490|1.940969|1.712902|2.889411|1.727059|1.964093|36.091540|4.285412|3.276106|2.882491|2.403315|2.230518|2.384616|2.875583|4.066903|3.632496|6.294983|3.496694|3.971481|3.250131|2.715248|19.059715|0.300683|0.301412|0.500000| |4.951226|7.707402|0.244971|9.502399|10.896322|26.074033|9.339435|5.742137|4.295839|4.061162|4.917132|7.645897|4.254630|2.831626|2.322004|3.852941|2.281464|2.758414|40.819995|4.687727|3.640235|3.254962|2.680812|2.447802|2.585256|3.114006|4.261655|3.691726|6.407710|3.370518|3.554638|2.922714|2.553753|18.712983|0.117801|0.118810|0.132479|0.500000| |3.853295|4.414201|0.109439|6.806725|14.883151|9.508428|8.901239|17.823532|8.950877|5.620381|4.961021|5.663186|5.702889|3.301075|2.768571|4.690122|3.005554|3.751185|25.852887|2.815089|2.413391|2.356747|2.034222|1.833382|1.854246|2.098029|2.795625|2.280655|3.680065|2.139702|2.257950|1.993404|1.784277|12.784165|0.088130|0.109521|0.109433|0.143169|0.500000| |2.588330|2.878732|0.075668|3.740618|7.216061|5.650152|5.659045|8.979643|17.721400|8.943508|5.683497|4.992355|9.935602|4.780301|3.990203|6.781448|4.715156|6.311199|18.314226|2.146153|1.923340|1.907527|1.703505|1.556482|1.561672|1.719925|2.294082|1.827421|2.826537|1.740873|1.821153|1.657248|1.511228|10.773741|0.062913|0.072814|0.073582|0.098251|0.217026|0.500000| |2.333541|2.772768|0.079236|3.291540|5.399270|5.746526|5.650097|4.955497|5.663654|8.882476|17.746743|8.986554|9.479251|7.262132|4.617552|7.105845|3.935715|5.184501|18.392875|2.322950|2.111470|2.053257|1.851805|1.726645|1.756244|1.932042|2.604541|2.061736|3.112184|1.973798|2.036175|1.859701|1.716763|12.344622|0.059114|0.061924|0.065054|0.116985|0.107707|0.124331|0.500000| |3.131172|4.048364|0.121017|4.845634|7.126786|9.993055|8.914304|5.652197|4.989382|5.641325|8.954090|17.687558|5.638524|3.887152|2.967042|4.805613|2.775338|3.473096|25.941671|3.241208|2.808319|2.636386|2.291496|2.122792|2.200730|2.514528|3.414055|2.788658|4.377308|2.623095|2.714670|2.381619|2.155282|15.676334|0.078388|0.080035|0.086039|0.234224|0.124172|0.108153|0.218614|0.500000| |1.868131|2.122619|0.059604|2.458780|4.227723|3.946362|3.619188|3.636119|4.529007|6.687627|6.582822|4.485329|12.219498|17.439891|8.922131|12.577426|5.881386|7.032258|14.341551|1.831469|1.704845|1.685812|1.554528|1.457832|1.467388|1.580248|2.123256|1.653188|2.447132|1.595279|1.639579|1.528181|1.428836|10.226161|0.047857|0.050549|0.052290|0.078632|0.084899|0.113561|0.230832|0.112412|0.500000| |1.961973|2.205050|0.062323|2.576380|4.434312|4.159828|3.854120|3.949228|4.994873|7.223091|6.695542|4.662913|12.480613|17.575745|8.883508|10.162718|5.044037|5.713993|14.349414|1.832195|1.678145|1.634800|1.496968|1.411005|1.435263|1.560175|2.123876|1.675760|2.488454|1.640550|1.716346|1.608913|1.486907|10.467521|0.049942|0.052737|0.055989|0.082149|0.091903|0.125568|0.207445|0.114023|0.300274|0.500000| |1.575182|1.731462|0.048497|1.963650|3.443107|3.021904|2.635266|2.745933|3.336666|4.165408|3.804389|2.992944|7.708382|8.843709|17.602513|16.917136|5.887487|5.048836|11.623853|1.504657|1.410052|1.393438|1.299787|1.230966|1.240320|1.323848|1.791028|1.389011|2.029219|1.359131|1.404905|1.332703|1.251411|8.850427|0.040691|0.042891|0.044568|0.060017|0.067754|0.091290|0.116678|0.076734|0.218041|0.210377|0.500000| |1.679929|1.830905|0.050757|2.114514|3.775282|3.227331|2.861874|3.134917|3.990176|4.803677|3.964303|3.125294|9.606680|8.876000|17.505219|16.541774|7.287991|5.911876|12.090749|1.540403|1.429592|1.411463|1.306912|1.231070|1.240839|1.332508|1.803125|1.408225|2.076883|1.377784|1.434870|1.356250|1.263193|8.895028|0.042971|0.046041|0.047914|0.062687|0.077832|0.114843|0.112334|0.077377|0.174329|0.216794|0.300058|0.500000| |1.624278|1.777372|0.048092|2.055513|3.755453|3.047622|2.668035|2.981806|3.738808|4.181023|3.426891|2.814565|7.686711|5.051423|5.887385|16.912135|17.603715|8.844847|12.296856|1.538091|1.454901|1.478633|1.379220|1.278444|1.261831|1.338752|1.770502|1.361231|2.016037|1.300934|1.326856|1.238246|1.165603|8.394036|0.041599|0.045495|0.045145|0.058516|0.075901|0.111691|0.094251|0.069730|0.132065|0.110504|0.132299|0.147648|0.500000| |1.713362|1.860759|0.050401|2.179105|4.009715|3.240204|2.880720|3.334055|4.383609|4.800705|3.681162|2.991141|9.534699|5.881567|7.278913|16.550991|17.500344|8.881427|12.520263|1.560004|1.455820|1.461807|1.352897|1.258069|1.252562|1.340256|1.788426|1.388882|2.065748|1.338607|1.381266|1.292021|1.206275|8.596622|0.043562|0.047885|0.048284|0.061527|0.084882|0.138715|0.098285|0.072633|0.134570|0.131779|0.147689|0.217489|0.300084|0.500000| |2.063548|2.305179|0.061407|2.803945|5.207614|4.227706|3.960697|4.817932|6.910321|7.312010|5.053854|4.036839|12.424098|5.714828|5.056490|10.167330|8.898379|17.601602|15.714641|1.893523|1.755648|1.780234|1.624373|1.484205|1.467897|1.583366|2.086114|1.624268|2.460943|1.536563|1.574349|1.444738|1.343604|9.702817|0.051715|0.058055|0.057222|0.078210|0.117723|0.214842|0.124786|0.093418|0.142792|0.127640|0.110595|0.132629|0.210241|0.217623|0.500000| |1.927174|2.185041|0.059340|2.586262|4.618132|4.003391|3.697262|4.022077|5.243452|6.798372|5.514286|4.140273|12.265432|7.044841|5.859290|12.465451|8.869982|17.438777|15.199255|1.875178|1.759495|1.785594|1.643641|1.510366|1.492663|1.599708|2.105740|1.627020|2.439071|1.538192|1.563289|1.438831|1.348475|9.789928|0.048956|0.053441|0.053078|0.076823|0.095785|0.139779|0.151763|0.099439|0.206895|0.143157|0.131309|0.134598|0.216974|0.173875|0.301219|0.500000| |3.596439|4.197281|0.107467|3.646035|5.973910|4.531001|2.854897|2.563555|2.235022|2.129039|2.290583|2.649431|2.541050|1.723300|1.530369|2.701040|1.610084|1.843486|50.018236|6.817082|8.804823|17.744628|9.021989|5.635014|4.922617|5.588151|5.679691|4.001379|6.364196|3.069683|2.738283|2.283321|2.199250|18.208680|0.101755|0.100286|0.083462|0.095344|0.071909|0.057342|0.059831|0.076583|0.049071|0.047409|0.040302|0.041082|0.043726|0.043134|0.053439|0.053122|0.500000| |2.513585|2.766181|0.074169|2.494977|4.182382|3.231727|2.139743|1.962439|1.779537|1.733284|1.853460|2.063279|2.130944|1.474030|1.332304|2.368819|1.395761|1.563958|26.649713|4.106413|5.631554|9.006659|17.731318|8.826433|5.640707|4.928538|4.966418|3.203652|4.505317|2.577070|2.260310|1.965675|1.964363|16.523098|0.072443|0.069879|0.061310|0.068380|0.054521|0.046320|0.049653|0.059916|0.042294|0.040417|0.035487|0.035661|0.038303|0.037283|0.044834|0.045382|0.217289|0.500000| |2.209299|2.381276|0.066461|2.112168|3.496213|2.786095|1.846835|1.683714|1.541189|1.520219|1.638139|1.813353|1.885417|1.327896|1.206821|2.126970|1.235635|1.367474|21.164540|3.606035|4.943619|5.654601|8.842572|17.717871|9.017763|5.636591|5.766599|3.390019|4.319525|2.774912|2.345798|2.081243|2.159715|18.944397|0.065302|0.059811|0.055103|0.060098|0.046472|0.040140|0.044501|0.053454|0.038135|0.036779|0.032473|0.032360|0.033772|0.033093|0.038710|0.039525|0.124339|0.214157|0.500000| |2.425734|2.602745|0.075568|2.226366|3.600219|2.954151|1.918434|1.720622|1.561616|1.543510|1.682700|1.888579|1.900904|1.348602|1.219160|2.119672|1.222958|1.353689|22.115546|4.206198|5.619281|4.923117|5.602057|8.928490|17.747978|8.899669|10.022638|4.922666|5.492176|3.947779|3.091721|2.721401|2.930943|28.260647|0.073766|0.063463|0.060944|0.065185|0.047356|0.040407|0.045768|0.056550|0.038582|0.037848|0.032911|0.032815|0.033096|0.032895|0.038084|0.038833|0.107052|0.123613|0.214617|0.500000| |4.960457|5.040140|0.181615|3.831482|5.716306|5.029867|2.961427|2.551854|2.192456|2.104381|2.320693|2.768251|2.487671|1.748646|1.543194|2.579676|1.491279|1.672707|28.788701|4.874179|3.779661|2.988916|2.563707|2.563168|2.981626|3.773444|6.317271|6.694949|9.685764|8.926838|17.776388|8.595816|5.741638|37.696995|0.156819|0.108059|0.139724|0.115751|0.071011|0.055643|0.060877|0.083065|0.048391|0.051107|0.041213|0.042475|0.039088|0.040974|0.047071|0.046299|0.079053|0.062834|0.062789|0.079117|0.500000| |3.053969|3.002288|0.097044|2.573798|4.068914|3.492723|2.229015|1.990453|1.783777|1.744691|1.900753|2.162074|2.124980|1.528125|1.374375|2.286607|1.303091|1.429707|18.490737|2.991707|2.612052|2.191453|1.987168|2.047079|2.357943|2.749432|4.551957|4.051957|5.102513|5.719984|8.600808|17.749797|8.896124|37.668588|0.092493|0.072790|0.089213|0.077886|0.055017|0.046038|0.051046|0.064353|0.042235|0.044988|0.037200|0.038017|0.034205|0.035951|0.039803|0.039463|0.057802|0.049771|0.051925|0.065602|0.201311|0.500000| |2.375242|2.383369|0.074606|2.066797|3.313614|2.815653|1.836593|1.651548|1.506423|1.492767|1.626390|1.816990|1.845574|1.338634|1.215451|2.043050|1.158271|1.261446|15.960563|2.685401|2.515995|2.124650|1.997347|2.143526|2.526248|2.823528|4.809775|3.871665|4.408856|5.426163|5.699513|8.772378|17.780763|55.497332|0.072390|0.058706|0.066318|0.062685|0.045401|0.039082|0.044373|0.054410|0.037445|0.038983|0.033147|0.033365|0.030684|0.031744|0.035000|0.035194|0.054667|0.049867|0.055248|0.073642|0.122681|0.203701|0.500000| 2121.423655 -11743.333346 4356.033447 -231.788710 -5497.664954 3374.429186 -2123.235767 2.000854 40B3B00000000043 45039883802F7D38 448410E8F5F3305A 426C8698C3880005 B7DA22391F5F0C00 451F79852C72D2F8