Version2.0 2020-08-01T11:57:44Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 10-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1NC(=O)[C@H](C)[NH+]2CCC(CC2)NC(=O)c3ccoc3C)C C66890814 RHF 6-31G(d) (6D,7F) Cc1cccc(c1NC(=O)[C@H](C)[NH+]2CCC(CC2)NC(=O)c3ccoc3C)C C01[X(C22H30N3O3)] 168 C1 480 C[C@@H](C(=O)Nc1c(C)cccc1C)[NH+]1CCC(CC1)NC(=O)c1ccoc1C C[C@@H](C(=O)Nc1c(C)cccc1C)[NH+]1CCC(CC1)NC(=O)c1ccoc1C C[C@H]([NH+]1CCC(CC1)NC(=O)c2ccoc2C)C(=O)Nc3c(C)cccc3C InChIKey=NWRYTXGDUSFDHS-INIZCTEOSA-O InChI=1S/C22H29N3O3/c1-14-6-5-7-15(2)20(14)24-21(26)16(3)25-11-8-18(9-12-25)23-22(27)19-10-13-28-17(19)4/h5-7,10,13,16,18H,8-9,11-12H2,1-4H3,(H,23,27)(H,24,26)/p+1/t16-/m0/s1 InChI=1/C22H29N3O3/c1-14-6-5-7-15(2)20(14)24-21(26)16(3)25-11-8-18(9-12-25)23-22(27)19-10-13-28-17(19)4/h5-7,10,13,16,18H,8-9,11-12H2,1-4H3,(H,23,27)(H,24,26)/p+1/t16-/m0/s1/fC22H30N3O3/h23-25H/q+1 Cc1cccc(c1NC(=O)[C@H](C)[NH+]2CCC(CC2)NC(=O)c3ccoc3C)C C01[X(C22H30N3O3)] 168 C01 480 C[C@@H](C(=O)Nc1c(C)cccc1C)[NH+]1CCC(CC1)NC(=O)c1ccoc1C C[C@@H]([C]([NH][C]1[C]([CH][CH][CH][C]1C)C)=O)[NH]1CC[C@H](CC1)NC(=O)[C]1[CH]=COC=1C C[C]1[CH][CH][CH][C](C)[C]1NC(=O)[C@H](C)[NH]2CC[C@H](CC2)NC(=O)c3ccoc3C InChIKey=PZWIBVRZYPNUPG-INIZCTEOSA-N InChI=1S/C22H30N3O3/c1-14-6-5-7-15(2)20(14)24-21(26)16(3)25-11-8-18(9-12-25)23-22(27)19-10-13-28-17(19)4/h5-7,10,13,16,18,25H,8-9,11-12H2,1-4H3,(H,23,27)(H,24,26)/t16-/m0/s1 InChI=1/C22H30N3O3/c1-14-6-5-7-15(2)20(14)24-21(26)16(3)25-11-8-18(9-12-25)23-22(27)19-10-13-28-17(19)4/h5-7,10,13,16,18,25H,8-9,11-12H2,1-4H3,(H,23,27)(H,24,26)/t16-/m0/s1/f/h23-24H 2544.1388046044 -1238.3453097 1-A 20542.8883 103 377 480 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.70944 -20.67605 -20.61320 -15.83475 -15.72703 -15.68362 -11.50199 -11.45620 -11.44411 -11.43228 -11.43210 -11.39361 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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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.03632 0.04178 0.06001 0.06045 0.07454 0.08324 0.09951 0.10031 0.10932 0.12476 0.13190 0.13532 0.14181 0.14642 0.15720 0.16276 0.17037 0.17992 0.18105 0.19060 0.19426 0.19814 0.20493 0.20617 0.21039 0.21566 0.21975 0.22460 0.22636 0.23160 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2.46360 2.47104 2.47716 2.48003 2.48799 2.50401 2.51279 2.52126 2.52782 2.53446 2.54099 2.54461 2.56000 2.56947 2.57420 2.57641 2.58077 2.58472 2.59429 2.60873 2.63277 2.63921 2.64259 2.65663 2.67555 2.68926 2.69563 2.71237 2.71658 2.74874 2.76195 2.77073 2.81166 2.82370 2.83212 2.85348 2.86177 2.86488 2.87580 2.88759 2.89571 2.92053 2.93960 2.94341 2.95463 2.96205 2.97924 2.99480 3.02816 3.04615 3.06645 3.07125 3.08083 3.09784 3.10140 3.12522 3.14715 3.16557 3.25469 3.25590 3.30504 3.32287 3.32358 3.39570 3.41982 3.46578 3.54789 3.62571 3.75146 4.29423 4.32675 4.37970 4.39495 4.40368 4.44208 4.44812 4.46059 4.48747 4.49679 4.51625 4.54003 4.56371 4.59009 4.59433 4.64806 4.68772 4.72313 4.73815 4.76119 4.79851 4.82053 4.83864 4.90847 4.91261 4.93489 5.08290 5.10959 11.70189 5.1304 -3.5226 -0.6380 6.2559 |XX|YY|ZZ|XY|XZ|YZ| -99.4059 -144.3805 -152.2356 -19.4266 -5.5732 -3.0471 |XX|YY|ZZ|XY|XZ|YZ| 32.6014 -12.3732 -20.2282 -19.4266 -5.5732 -3.0471 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126.4460 149.8857 152.9386 165.0241 182.1700 195.2770 213.7120 234.2225 247.1993 257.4901 271.1487 282.1227 290.2039 306.9570 331.3471 333.5132 354.7635 364.8549 377.8806 403.0956 427.2425 448.7625 488.1131 490.3980 506.9876 515.7383 528.0799 539.5822 556.7701 575.2964 577.0623 599.7789 605.9496 664.0041 672.8174 690.9538 714.5553 733.9899 758.8900 802.4579 831.0230 846.1586 853.2622 874.4117 880.0540 881.0331 896.1386 922.3664 958.8000 982.1515 988.4848 993.6695 995.1532 1013.9693 1019.4783 1033.7446 1053.4932 1066.3425 1077.3855 1100.4392 1111.9153 1124.1060 1126.5514 1131.7061 1148.6117 1169.5315 1172.6331 1175.1352 1177.3888 1198.8899 1204.2562 1211.3106 1224.6951 1236.5232 1245.0286 1260.0070 1267.3329 1274.8503 1288.5044 1299.4815 1314.4306 1327.7092 1371.0622 1377.1709 1385.6302 1391.7026 1397.7675 1406.6658 1420.7940 1447.4993 1454.3890 1469.3659 1486.9017 1501.0065 1536.9325 1541.2982 1546.8074 1552.1826 1566.5629 1567.4684 1570.2117 1573.3214 1582.4721 1586.6099 1603.5743 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11.4529 4.3041 14.1140 14.5536 27.8227 13.3994 3.1647 8.9988 10.0149 5.9588 0.5019 0.0779 15.0514 18.3833 3.4436 0.3718 128.5847 49.7206 30.5218 5.0802 2.1978 1.8305 0.9980 0.1053 1.6860 1.7868 1.0943 0.8211 0.6856 1.3844 0.6465 0.0190 0.1332 0.4958 0.6396 1.0315 1.4519 0.8712 3.5167 0.2612 0.5388 0.9460 0.6259 0.6090 1.1244 1.1395 0.7786 1.2137 0.2431 1.5367 1.3288 1.2322 0.5698 1.5933 1.5576 2.3936 1.9603 2.7344 5.9845 2.7993 0.2793 2.9701 4.4001 1.9804 3.3759 8.0970 2.8597 7.7190 6.5783 0.6788 13.4823 2.1012 3.3221 2.1104 2.2290 1.2247 3.0297 2.7533 1.3368 2.4665 10.5941 1.4720 0.5188 2.0982 1.7385 6.4614 1.4472 1.7026 2.6523 7.5134 7.2978 0.5152 0.3716 7.8033 13.7260 0.5653 2.3516 1.9092 1.8576 8.3016 3.1277 15.4412 1.3239 6.5821 11.1751 2.1844 3.1502 3.4378 11.8546 1.8956 5.5138 0.2126 7.2751 10.7855 7.2347 21.3589 2.3539 5.9259 13.0083 14.8532 7.6378 1.5040 11.3489 3.1339 0.7354 3.6208 3.4227 3.8132 8.9846 1.3037 10.0493 8.5814 20.2359 5.8630 7.9376 53.9166 19.8464 13.1483 6.5130 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 3629.9477 35237.9450 36030.3890 1.00000 0.00104 -0.00159 -0.00106 0.99987 -0.01624 0.00157 0.01625 0.99987 1 0.02386 0.00246 0.00240 0.49718 0.05122 0.05009 19.27 24.53 29.33 51.06 54.58 86.12 88.86 102.98 131.59 141.18 150.54 181.93 215.65 220.04 237.43 262.10 280.96 307.48 336.99 355.66 370.47 390.12 405.91 417.54 441.64 476.73 479.85 510.43 524.94 543.69 579.96 614.71 645.67 702.29 705.57 729.44 742.03 759.79 776.34 801.07 827.72 830.26 862.95 871.83 955.35 968.03 994.13 1028.09 1056.05 1091.87 1154.56 1195.66 1217.43 1227.65 1258.08 1266.20 1267.61 1289.34 1327.08 1379.50 1413.10 1422.21 1429.67 1431.80 1458.88 1466.80 1487.33 1515.74 1534.23 1550.12 1583.29 1599.80 1617.34 1620.86 1628.27 1652.60 1682.69 1687.16 1690.76 1694.00 1724.94 1732.66 1742.81 1762.06 1779.08 1791.32 1812.87 1823.41 1834.23 1853.87 1869.66 1891.17 1910.28 1972.65 1981.44 1993.61 2002.35 2011.08 2023.88 2044.21 2082.63 2092.54 2114.09 2139.32 2159.61 2211.30 2217.58 2225.51 2233.24 2253.93 2255.24 2259.18 2263.66 2276.82 2282.78 2307.19 2329.41 2339.14 2345.28 2345.34 2350.95 2352.00 2354.03 2354.94 2365.44 2371.89 2374.59 2376.04 2384.99 2392.82 2435.44 2469.06 2490.26 2567.67 2579.03 2589.77 2767.88 2769.48 4607.16 4610.25 4617.65 4617.69 4635.01 4659.97 4676.34 4692.40 4694.33 4701.73 4709.15 4713.67 4719.17 4737.42 4749.54 4749.94 4757.62 4758.34 4779.17 4792.40 4827.04 4844.69 4848.35 4863.35 4884.86 4940.86 5026.60 5187.42 5565.09 5586.45 0.537287 0.563658 0.564603 0.476922 -1237.808022 -1237.781651 -1237.780707 -1237.868388 2.940835D-04 MUNgauss RevisionA2.0 retrievium 01-Aug-2020 DUDE Cc1cccc(c1NC(=O)[C@H](C)[NH+]2CCC(CC2)NC(=O)c3ccoc3C)C C66890814 RHF 6-31G(d) (6D,10F) C1 384.228717 |X|Y|Z| 37.219218 31.324125 134.819879 53.967634 22 6 7 8 18 3 1 |36.858105| |12.611851|36.858105| |7.569021|13.722434|36.858105| |5.022299|7.908054|13.776716|36.858105| |4.428078|6.823990|7.939233|13.773541|36.858105| |4.975874|7.804331|6.832585|7.915219|13.728421|36.858105| |7.512117|13.685520|8.001616|6.939070|7.995160|13.682236|36.858105| |6.595754|7.797839|5.147007|4.550371|5.154056|7.827074|13.215791|53.358707| |5.699396|5.893200|4.226169|3.760388|4.137315|5.659726|7.784647|19.480193|36.858105| |5.431752|5.613287|4.229502|3.767441|4.049004|5.210282|6.705117|11.501122|15.810961|73.516695| |4.319552|4.150285|3.212025|2.915841|3.166775|4.053624|4.979900|10.581317|12.338505|14.351078|36.858105| |4.607176|4.093557|3.155511|2.789327|2.932334|3.632282|4.575899|9.147493|8.989666|11.750871|17.582767|0.500000| |3.526352|3.544194|2.855509|2.686509|2.992952|3.823339|4.351155|8.720504|7.292247|9.379818|12.471464|0.247159|36.858105| |3.557721|3.417674|2.782333|2.566237|2.760234|3.377742|3.915900|7.095450|7.860354|13.281504|12.665350|0.255283|7.506303|53.358707| |3.885995|3.687948|2.989313|2.719868|2.882304|3.491341|4.120962|7.169970|8.320616|17.257056|9.569788|0.219952|5.739075|25.570504|0.500000| |2.980459|3.021251|2.551233|2.443211|2.697312|3.279327|3.546372|6.062453|6.042196|10.774930|7.527814|0.155539|6.445315|17.232736|0.262038|36.858105| |2.583629|2.590258|2.256920|2.170455|2.349893|2.737770|2.912154|4.647591|4.373671|8.483367|4.943707|0.116055|4.293046|10.424110|0.202481|12.499454|36.858105| |2.356660|2.293752|2.009597|1.912255|2.032390|2.329299|2.508164|3.991028|3.639677|6.803765|4.342564|0.109767|3.854395|8.843924|0.165900|7.570331|12.467253|36.858105| |2.624187|2.462603|2.122830|1.974180|2.063939|2.371271|2.639879|4.271344|3.970056|7.353215|4.954881|0.134032|4.086985|10.444425|0.199917|6.529292|7.604988|12.421987|36.858105| |3.045731|2.827746|2.365424|2.176083|2.291461|2.702595|3.089937|5.298561|5.101771|8.722392|7.559216|0.208783|5.797507|17.261201|0.256784|7.670252|6.506353|7.534538|12.507209|36.858105| |2.078109|2.026239|1.813371|1.736076|1.827952|2.047772|2.175280|3.342367|2.947098|5.616693|3.311648|0.086012|2.989073|6.083268|0.122537|5.029767|7.804374|13.228825|7.690560|4.992135|53.358707| |1.853880|1.796366|1.621181|1.553154|1.625497|1.802890|1.909547|2.912448|2.500296|4.659197|2.824025|0.075217|2.625324|4.893694|0.096998|3.872014|5.144053|7.827354|6.002995|4.191787|18.932447|36.858105| |1.824690|1.758287|1.580234|1.510338|1.581451|1.760421|1.871636|2.883296|2.455581|4.465351|2.850039|0.076843|2.709090|4.848752|0.093093|3.744241|4.592293|7.047091|5.962682|4.367458|11.613015|15.807162|73.516695| |1.674433|1.627914|1.490476|1.434733|1.492159|1.630644|1.712201|2.557462|2.156613|4.053989|2.357853|0.063215|2.199114|3.929150|0.079853|3.084637|3.956722|5.080315|4.269901|3.222435|10.775284|12.952612|14.308145|36.858105| |1.632667|1.601496|1.480795|1.434075|1.489639|1.613455|1.679347|2.469589|2.071949|3.957291|2.200280|0.058561|2.040551|3.623881|0.075272|2.881390|3.718333|4.307016|3.625874|2.836944|8.687808|7.233526|9.112204|13.138370|36.858105| |1.479030|1.448531|1.350527|1.309917|1.353262|1.452421|1.507186|2.196778|1.815749|3.442126|1.916461|0.051514|1.793556|3.073376|0.063748|2.401284|2.952480|3.350089|2.966045|2.407744|6.101765|5.211011|7.411685|8.584630|14.296346|36.858105| |1.426954|1.388251|1.290999|1.247892|1.286947|1.383505|1.441818|2.113002|1.739012|3.254593|1.860766|0.050498|1.755633|2.961751|0.060700|2.279693|2.737688|3.206393|2.913538|2.376279|5.665335|5.269267|8.013593|8.673326|8.655187|14.108994|73.516695| |1.523439|1.475481|1.359390|1.308603|1.353863|1.468684|1.540218|2.286040|1.897830|3.529689|2.070288|0.056241|1.954103|3.346208|0.067759|2.570724|3.118619|3.864343|3.482307|2.759471|7.042288|7.579005|11.508941|14.043496|8.508921|8.739146|25.420506|36.858105| |1.453957|1.399881|1.288747|1.237497|1.277392|1.385410|1.457212|2.169801|1.784906|3.269624|1.969334|0.054157|1.882348|3.123533|0.062449|2.353591|2.739064|3.401179|3.210746|2.627952|5.646781|5.849664|10.859019|7.256557|5.118395|5.345952|14.146882|12.788546|36.858105| |3.759140|4.977538|4.431102|5.022964|7.567547|12.607079|7.517503|9.042162|5.291025|8.437803|4.107569|0.097947|4.188231|4.722531|0.095985|3.580237|2.921291|2.440624|2.412094|2.750324|2.897017|1.869776|3.254353|1.681308|1.659935|1.488149|2.518727|1.508595|1.421448|36.858105| |17.552452|8.847580|5.973866|4.335957|3.968758|4.526585|6.565165|8.709133|6.414142|11.811123|4.775942|0.142796|3.655595|5.537121|0.129072|3.300581|2.884266|2.624665|2.977474|3.445452|3.136314|2.032744|3.532260|1.827602|1.782005|1.603444|2.740880|1.650663|1.565890|3.580673|0.500000| |17.549321|8.815145|5.815837|4.270315|3.958672|4.578111|6.739041|9.301659|5.690956|8.833459|4.634272|0.144039|3.858777|4.948271|0.106518|2.989384|2.548311|2.360778|2.656692|3.169715|2.804521|1.853233|3.282340|1.661760|1.603088|1.453915|2.512821|1.517935|1.461122|3.638583|0.301118|0.500000| |17.606490|8.882239|7.316110|4.782135|3.979173|4.156007|5.572007|6.566730|4.323223|7.586210|3.495976|0.103915|2.950314|4.090719|0.090841|2.570857|2.289644|2.118549|2.351416|2.661077|2.588665|1.714768|2.998200|1.566549|1.534042|1.401276|2.406771|1.436485|1.374685|3.209222|0.302376|0.302454|0.500000| |7.037852|8.932485|17.726468|8.936461|5.651495|4.931730|5.672118|5.672555|3.600224|6.497845|2.856988|0.079644|2.538186|3.436242|0.075568|2.302039|2.074883|1.877081|1.997145|2.199862|2.330092|1.542218|2.672929|1.427702|1.420438|1.303230|2.218995|1.309675|1.244764|3.544992|0.156221|0.150258|0.225814|0.500000| |4.098520|5.637197|8.935300|17.725021|8.933954|5.639957|4.986812|4.928389|3.111936|5.603635|2.506326|0.067084|2.334844|3.065955|0.066143|2.165173|1.959077|1.741743|1.789766|1.945626|2.178716|1.442156|2.490405|1.343771|1.349447|1.240379|2.100096|1.231943|1.165931|4.097932|0.100604|0.098839|0.113844|0.215857|0.500000| |3.543046|4.927221|5.650922|8.932744|17.726123|8.929959|5.668531|5.682139|3.504188|6.139121|2.801305|0.071780|2.714758|3.397054|0.071702|2.500412|2.207441|1.910560|1.912401|2.097137|2.360192|1.548986|2.676492|1.430476|1.434515|1.307728|2.207693|1.301066|1.226880|7.031493|0.090368|0.090172|0.090609|0.124380|0.215744|0.500000| |5.629539|6.258638|4.466309|4.043084|4.576796|6.578443|9.102724|26.048076|9.472235|10.852242|7.443504|0.186410|7.282644|6.531687|0.127416|4.139645|3.164120|2.787465|2.983194|3.760461|3.172643|2.061442|3.677577|1.806214|1.729813|1.546448|2.664810|1.626448|1.558491|6.149566|0.145610|0.177884|0.120223|0.103430|0.091726|0.106616|0.500000| |3.700009|3.705895|2.966739|2.772976|3.072964|3.922729|4.526202|9.067169|6.464197|8.256884|8.875884|0.220922|17.598249|7.523278|0.128472|4.746807|3.464651|3.187949|3.423687|4.638259|3.499315|2.305290|4.240668|1.967793|1.835228|1.633960|2.855393|1.774009|1.723893|4.201416|0.102573|0.116987|0.085890|0.073194|0.066753|0.076944|0.242954|0.500000| |3.031459|2.982051|2.471086|2.332610|2.558522|3.142561|3.499219|6.444031|5.389647|7.659489|8.785181|0.208183|17.593558|9.496759|0.143995|6.166602|4.306209|4.115927|4.378033|6.358787|4.277623|2.810796|5.293353|2.315730|2.108378|1.852751|3.258889|2.064742|2.011345|3.422133|0.087834|0.091935|0.072353|0.062177|0.057291|0.065463|0.145274|0.305420|0.500000| |3.264849|3.443666|2.833688|2.747112|3.157323|4.093693|4.380818|8.372002|6.720968|9.090145|8.718563|0.173257|17.608762|8.836565|0.144439|6.755783|4.404331|3.751810|3.730935|4.870429|4.012986|2.569006|4.653842|2.169519|2.036997|1.787107|3.085524|1.919374|1.833069|4.851495|0.093143|0.096290|0.076560|0.069191|0.066343|0.080794|0.187840|0.301976|0.300432|0.500000| |3.157299|3.333526|2.810552|2.734165|3.095907|3.856165|4.067506|6.892266|6.866815|12.546971|7.151827|0.143814|6.230212|12.370982|0.226790|17.658928|8.809183|5.504666|4.900391|5.610175|5.645861|3.278455|5.569360|2.731604|2.629992|2.221369|3.713742|2.307163|2.108637|4.345136|0.096245|0.086486|0.074942|0.069208|0.066629|0.079663|0.126382|0.131648|0.151128|0.199858|0.500000| |2.713677|2.755030|2.348485|2.268644|2.517123|3.045887|3.238620|5.540754|5.111623|8.485727|6.778607|0.144628|7.126127|12.360406|0.182546|17.637916|8.818625|6.848470|5.786737|7.031267|6.316535|3.777250|6.770609|2.985705|2.736463|2.307012|3.952719|2.525975|2.354164|3.412690|0.081442|0.077097|0.065582|0.059041|0.056192|0.065532|0.110475|0.141202|0.209259|0.215614|0.300262|0.500000| |2.713467|2.717452|2.378449|2.276138|2.439305|2.812727|3.008623|4.677640|4.446287|9.315997|4.638896|0.111253|3.831660|9.378569|0.214539|8.875635|17.507801|8.788897|6.794542|5.684463|9.602490|4.689205|7.189532|3.833642|3.775798|2.994593|4.832454|3.026376|2.619873|2.924408|0.085662|0.072817|0.066993|0.060925|0.057098|0.063332|0.086175|0.088548|0.103220|0.108196|0.215706|0.173576|0.500000| |2.327763|2.378335|2.110245|2.066680|2.259120|2.603576|2.686683|4.185384|3.758991|7.174946|4.104203|0.097039|3.817013|7.599617|0.147083|8.960765|17.579521|8.823447|5.518937|4.884832|9.607178|4.917668|7.723391|3.930175|3.795603|3.007589|4.894332|3.096089|2.691720|2.844315|0.070880|0.063662|0.057837|0.053864|0.052226|0.059889|0.080009|0.087275|0.106678|0.113349|0.212828|0.214854|0.302905|0.500000| |2.204397|2.157107|1.895650|1.815604|1.941180|2.226813|2.375409|3.799405|3.372906|6.055454|4.138671|0.104705|3.942752|7.835153|0.137952|6.902534|8.906807|17.599938|8.929393|6.882120|12.749443|7.442296|13.970774|4.789229|3.934822|3.152867|5.512757|3.788302|3.459575|2.369914|0.067026|0.062120|0.055154|0.049133|0.046036|0.050998|0.075365|0.090339|0.122429|0.107234|0.140767|0.204587|0.173654|0.215400|0.500000| |2.758700|2.558931|2.211586|2.038761|2.105819|2.397355|2.691396|4.266190|3.993164|7.791313|4.637053|0.127606|3.667942|9.368588|0.210647|5.693298|6.811435|8.810495|17.510841|8.864498|9.532019|5.381612|8.844405|4.150069|3.684508|3.017083|5.171041|3.388354|3.061448|2.387897|0.088885|0.076183|0.069029|0.058174|0.051401|0.053933|0.081012|0.087456|0.104412|0.093801|0.127860|0.132854|0.199095|0.139378|0.174278|0.500000| |2.375954|2.212440|1.928931|1.795185|1.863387|2.114067|2.340332|3.732475|3.332351|6.047793|4.110434|0.115715|3.573171|7.607358|0.145246|4.905398|5.533109|8.848707|17.609577|8.950932|9.464342|6.468266|12.656868|4.519555|3.641415|3.038491|5.492225|3.803631|3.637458|2.145281|0.073894|0.067411|0.060008|0.050885|0.045566|0.048206|0.073678|0.085766|0.109074|0.090223|0.107994|0.129945|0.139297|0.123744|0.217380|0.302396|0.500000| |2.767567|2.609259|2.203258|2.051364|2.178965|2.568966|2.883183|4.947709|4.510098|7.371283|6.823812|0.185425|6.296908|12.362662|0.180637|7.001860|5.733503|6.771577|8.789558|17.616286|6.245268|4.055274|7.913928|3.100303|2.690633|2.307242|4.102296|2.697437|2.623066|2.672834|0.084367|0.081243|0.067617|0.056842|0.051152|0.055897|0.101253|0.137995|0.220143|0.144830|0.143793|0.211854|0.132107|0.128640|0.202151|0.173155|0.214650|0.500000| |3.290812|2.934405|2.433701|2.196616|2.272982|2.661054|3.116549|5.326027|5.011336|8.459160|7.181057|0.238832|5.310104|12.370513|0.221122|5.605558|4.889853|5.484203|8.798548|17.627043|5.601826|3.615922|6.717047|2.897983|2.575412|2.231358|3.944238|2.547662|2.464254|2.633204|0.104539|0.096741|0.080033|0.063510|0.054541|0.057291|0.105559|0.126471|0.156986|0.120073|0.126688|0.143941|0.127838|0.107683|0.140381|0.215280|0.211597|0.301196|0.500000| |2.090180|2.045351|1.843575|1.767302|1.853028|2.059395|2.180577|3.296188|2.904212|5.689070|3.140635|0.081534|2.786762|5.678272|0.119992|4.658011|7.262515|9.037108|6.393703|4.402071|26.071685|9.315263|10.915661|7.478167|7.229351|4.835273|7.485187|4.914342|3.809598|2.122730|0.064747|0.056855|0.053364|0.048462|0.045390|0.048865|0.063084|0.067242|0.079449|0.076907|0.111838|0.114915|0.212758|0.186137|0.181970|0.184581|0.156615|0.109405|0.104367|0.500000| |1.705214|1.686134|1.561326|1.517847|1.581833|1.713180|1.774791|2.597701|2.190190|4.241043|2.291165|0.060289|2.109026|3.798108|0.079893|3.080309|4.086363|4.455514|3.653098|2.882259|8.892818|6.239298|8.002139|8.368989|17.794937|8.893398|10.480493|5.805137|4.011752|1.765579|0.051851|0.046177|0.044384|0.041464|0.039640|0.042362|0.050143|0.052461|0.059829|0.059009|0.079142|0.079785|0.118951|0.118145|0.109784|0.104920|0.097818|0.075050|0.072161|0.230362|0.500000| |1.401159|1.377117|1.293728|1.259289|1.297568|1.382268|1.427187|2.060472|1.688970|3.207335|1.760824|0.047361|1.651354|2.783398|0.058033|2.169978|2.619629|2.874289|2.582198|2.148327|4.997572|4.054025|6.010849|5.807529|8.628657|17.848560|16.457314|6.029346|4.294023|1.412903|0.042047|0.038129|0.037057|0.034779|0.033281|0.034954|0.040260|0.042066|0.047069|0.045867|0.056593|0.057839|0.074602|0.074527|0.075312|0.073573|0.072771|0.057184|0.055795|0.111083|0.196358|0.500000| |1.417434|1.357036|1.253195|1.199529|1.230539|1.328196|1.401175|2.075226|1.699744|3.119476|1.861775|0.051674|1.767904|2.922323|0.058969|2.163928|2.483895|3.025951|2.963392|2.454543|4.906594|4.741604|8.638251|5.753406|4.482619|4.886272|12.757777|8.992291|17.563209|1.352278|0.042413|0.039533|0.037436|0.033791|0.031472|0.032791|0.041374|0.045328|0.052171|0.047592|0.054278|0.059656|0.067066|0.067114|0.083946|0.080230|0.093369|0.067404|0.065163|0.094527|0.099995|0.113824|0.500000| |1.359426|1.316823|1.217634|1.175342|1.216052|1.315049|1.373837|2.037838|1.661748|3.028527|1.826009|0.050015|1.769175|2.857746|0.056856|2.177202|2.501448|3.019871|2.807542|2.366224|4.887228|4.810307|9.009671|5.803932|4.490465|4.856117|12.542340|8.996980|17.558345|1.355865|0.040406|0.037983|0.035756|0.032654|0.030841|0.032587|0.040814|0.045204|0.052523|0.048187|0.054684|0.061116|0.066108|0.069491|0.086916|0.073964|0.086566|0.066413|0.061581|0.092164|0.100445|0.112984|0.302022|0.500000| |1.527358|1.464706|1.339149|1.281716|1.325609|1.447027|1.529812|2.300710|1.900592|3.452996|2.133286|0.058890|2.046238|3.402163|0.067152|2.543195|2.934540|3.771831|3.612884|2.939888|6.073359|6.514340|13.972187|6.756083|4.582972|4.427493|10.270084|8.972803|17.683278|1.487252|0.045724|0.042893|0.039940|0.035845|0.033414|0.035257|0.046096|0.051854|0.061489|0.054932|0.062383|0.071389|0.076569|0.079076|0.109236|0.092975|0.117919|0.082632|0.076244|0.109016|0.103997|0.100476|0.298876|0.300380|0.500000| |3.602672|4.543970|3.958091|4.295231|5.881624|8.800978|6.635302|9.076713|5.119543|7.668844|4.253919|0.101842|4.674970|4.710172|0.092786|3.532403|2.828820|2.409647|2.395382|2.783733|2.835386|1.847703|3.255100|1.651534|1.613749|1.450113|2.473529|1.488933|1.414626|17.537178|0.094161|0.101146|0.085439|0.090162|0.099555|0.152923|0.194440|0.136031|0.104690|0.153129|0.115660|0.096813|0.076890|0.076365|0.066050|0.064884|0.059658|0.076723|0.074213|0.056999|0.047292|0.038134|0.037341|0.037559|0.041323|0.500000| |3.614536|4.559497|3.968683|4.302800|5.886413|8.830033|6.668067|9.055803|5.988083|9.842063|4.599085|0.105031|4.601248|5.454611|0.110843|4.328510|3.449698|2.776772|2.693834|3.061914|3.258208|2.068464|3.574005|1.845834|1.825412|1.619997|2.726173|1.638219|1.531209|17.543213|0.099805|0.096568|0.085220|0.090368|0.099664|0.152751|0.163009|0.120746|0.103663|0.154321|0.155282|0.112244|0.095863|0.093712|0.074394|0.073885|0.065492|0.082065|0.079619|0.066428|0.054335|0.042560|0.040257|0.040473|0.044534|0.301537|0.500000| |3.207071|4.153786|3.979767|4.782598|7.320589|8.878351|5.569272|6.590828|4.100825|6.843244|3.352802|0.081718|3.448513|4.017390|0.081893|3.105107|2.628528|2.214774|2.162171|2.409500|2.677661|1.741735|3.023515|1.583642|1.575152|1.420670|2.399626|1.427560|1.344264|17.607898|0.084878|0.085716|0.078651|0.090617|0.113839|0.226039|0.127681|0.095962|0.081350|0.110120|0.102901|0.083068|0.073266|0.072497|0.059987|0.059553|0.053938|0.065413|0.064021|0.054739|0.046600|0.037676|0.035546|0.035792|0.038870|0.302687|0.302406|0.500000| 1236.897019 -7957.999331 3108.243410 -169.625447 -3782.484350 2544.138988 -1238.345362 2.001171 406200000000001A 43E9474DCC2EC3C4 436F43288FAF5292 41FD941BAB000000 37E6DDF1FB732A80 43800F8658A8EB8B