Version2.1 2020-12-28T14:01:00Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 11-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)N(C(=O)[C@H]2CC(=C3[NH+]2Cc4ccccc4N3)Cl)S(=O)(=O)Oc5ccccc5 C39545372 RHF 6-31G(d) (6D,7F) c1ccc(cc1)N(C(=O)[C@H]2CC(=C3[NH+]2Cc4ccccc4N3)Cl)S(=O)(=O)Oc5ccccc5 C01[X(C24H21Cl1N3O4S1)] 156 C1 545 ClC1=C2Nc3ccccc3C[NH+]2[C@H](C1)C(=O)N(S(=O)(=O)Oc1ccccc1)c1ccccc1 ClC1=C2Nc3ccccc3C[NH+]2[C@H](C1)C(=O)N(S(=O)(=O)Oc1ccccc1)c1ccccc1 ClC1=C2Nc3ccccc3C[NH+]2[C@H](C1)C(=O)N(c4ccccc4)[S](=O)(=O)Oc5ccccc5 InChIKey=OTSLWNVDUMQTDN-JOCHJYFZSA-O InChI=1S/C24H20ClN3O4S/c25-20-15-22(27-16-17-9-7-8-14-21(17)26-23(20)27)24(29)28(18-10-3-1-4-11-18)33(30,31)32-19-12-5-2-6-13-19/h1-14,22,26H,15-16H2/p+1/t22-/m1/s1 InChI=1/C24H20ClN3O4S/c25-20-15-22(27-16-17-9-7-8-14-21(17)26-23(20)27)24(29)28(18-10-3-1-4-11-18)33(30,31)32-19-12-5-2-6-13-19/h1-14,22,26H,15-16H2/p+1/t22-/m1/s1/fC24H21ClN3O4S/h27H/q+1 c1ccc(cc1)N(C(=O)[C@H]2CC(=C3[NH+]2Cc4ccccc4N3)Cl)S(=O)(=O)Oc5ccccc5 C01[X(C24H21Cl1N3O4S1)] 156 C01 545 ClC1=C2Nc3ccccc3C[NH+]2[C@H](C1)C(=O)N(S(=O)(=O)Oc1ccccc1)c1ccccc1 ClC1=C2N[C]3[CH][CH][CH][CH][C]3C[NH]2[C@H](C1)C(=O)N(S(=O)(=O)O[C]1[CH][CH][CH][CH][CH]1)[C]1[CH][CH][CH][CH][CH]1 ClC1=C2N[C]3[CH][CH][CH][CH][C]3C[NH]2[C@H](C1)C(=O)N([C]4[CH][CH][CH][CH][CH]4)[S](=O)(=O)O[C]5[CH][CH][CH][CH][CH]5 InChIKey=NMNLKPQSWNFXFQ-JOCHJYFZSA-N InChI=1S/C24H21ClN3O4S/c25-20-15-22(27-16-17-9-7-8-14-21(17)26-23(20)27)24(29)28(18-10-3-1-4-11-18)33(30,31)32-19-12-5-2-6-13-19/h1-14,22,26-27H,15-16H2/t22-/m1/s1 InChI=1/C24H21ClN3O4S/c25-20-15-22(27-16-17-9-7-8-14-21(17)26-23(20)27)24(29)28(18-10-3-1-4-11-18)33(30,31)32-19-12-5-2-6-13-19/h1-14,22,26-27H,15-16H2/t22-/m1/s1 3835.4467958496 -2240.5587616 1-A 16687.7975 125 420 545 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0.8559 0.8571 0.8159 0.7788 0.6948 0.8345 0.8568 0.8112 0.8395 0.1728 0.8549 0.7253 0.8545 0.8194 0.8311 0.8546 0.4804 0.5086 0.6387 0.2516 0.6572 0.8109 0.1727 0.8560 0.8402 0.7375 0.5119 0.8571 0.4890 0.8474 0.5618 0.6467 0.8401 0.7869 0.8481 0.8253 0.7889 0.8162 0.8460 0.8003 0.4310 0.7143 0.4494 0.8400 0.1542 0.6487 0.1081 0.2000 0.3265 0.0981 0.6056 0.3047 0.1304 0.2048 0.7156 0.7715 0.8194 0.5631 0.6755 0.8564 0.8305 0.4266 0.8415 0.7188 0.8571 0.1412 0.1806 0.4212 0.7701 0.8168 0.7422 0.4407 0.1361 0.5196 0.0686 0.2079 0.1706 0.5706 0.7549 0.8206 0.5296 0.8564 0.6986 0.8522 0.7145 0.1451 0.4541 0.7842 0.1433 0.8532 0.8378 0.4583 0.8448 0.0584 0.8228 0.6745 0.7030 0.4631 0.3524 0.2957 0.6062 0.5813 0.8507 0.4515 0.6431 0.7619 0.5032 0.7752 0.8428 0.5717 0.5509 0.8137 0.7729 0.8404 0.8524 0.6946 0.4002 0.6575 0.3651 0.8563 0.7222 0.7621 0.8527 0.7325 0.8098 0.7579 0.8207 0.4666 0.3344 0.1197 0.7600 0.6604 0.5665 0.2815 0.7642 0.6694 0.7922 0.8421 0.7711 0.8571 0.7586 0.7565 0.2846 0.2543 0.2627 0.1955 0.2580 0.2417 0.2205 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 6 6 6 6 6 6 7 6 8 6 1 6 6 6 7 1 6 6 6 6 6 6 6 7 17 16 8 8 8 6 6 6 6 6 6 1 1 1 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 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 34.96885 31.97207 15.99491 15.99491 15.99491 12.00000 12.00000 12.00000 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 11025.3566 23519.5276 27032.7118 0.99996 -0.00922 -0.00046 0.00921 0.99988 -0.01269 0.00058 0.01269 0.99992 1 0.00786 0.00368 0.00320 0.16369 0.07673 0.06676 19.19 21.49 30.50 46.27 54.33 64.64 78.93 83.39 110.48 133.84 152.04 164.89 194.33 211.40 250.15 287.38 312.68 344.81 370.03 417.88 420.77 433.72 455.52 476.46 498.34 534.03 538.33 583.44 614.92 638.96 659.95 661.61 666.07 676.88 733.46 742.90 770.74 809.38 826.77 841.11 877.23 893.76 939.22 943.77 964.52 975.60 987.44 1001.23 1014.22 1065.99 1095.90 1102.18 1127.19 1154.93 1178.86 1185.76 1211.48 1230.50 1234.66 1254.19 1281.93 1333.52 1350.98 1362.68 1401.10 1418.95 1425.89 1455.44 1496.69 1498.30 1510.71 1552.86 1574.30 1575.47 1588.31 1589.54 1590.19 1610.46 1617.89 1621.20 1630.23 1639.01 1639.42 1642.20 1651.57 1685.63 1695.33 1697.52 1702.85 1751.00 1758.30 1759.65 1787.58 1810.79 1826.11 1839.71 1860.38 1866.62 1881.92 1894.56 1896.63 1916.32 1927.58 1930.22 1958.10 1983.01 2011.94 2033.74 2063.93 2083.56 2101.12 2109.50 2116.31 2148.42 2229.13 2243.13 2289.13 2293.36 2314.21 2333.06 2336.32 2357.17 2377.14 2388.37 2393.08 2397.88 2406.97 2580.72 2581.52 2582.84 2587.13 2592.04 2616.67 2815.51 2842.07 4667.71 4689.17 4786.01 4817.30 4844.21 4849.74 4855.35 4855.35 4856.84 4866.01 4870.62 4881.19 4882.20 4884.26 4895.88 4898.91 4904.02 4906.30 4923.75 5129.75 5558.05 0.451125 0.477110 0.478054 0.390077 -2240.107637 -2240.081652 -2240.080708 -2240.168684 2.950729D-04 MUNgauss RevisionA2.0 retrievium 28-Dec-2020 DUDE c1ccc(cc1)N(C(=O)[C@H]2CC(=C3[NH+]2Cc4ccccc4N3)Cl)S(=O)(=O)Oc5ccccc5 C39545372 RHF 6-31G(d) (6D,10F) C1 482.094131 |X|Y|Z| 63.332416 102.595433 46.378096 67.043344 29 6 7 8 16 24 3 1 1 |36.858105| |13.745964|36.858105| |7.944199|13.766548|36.858105| |6.927067|7.984637|13.781133|36.858105| |7.936040|6.856726|7.902983|13.794280|36.858105| |13.747834|7.927490|6.866334|7.993686|13.760878|36.858105| |4.527103|5.135589|7.813940|13.064836|7.734723|5.114383|53.358707| |3.812031|4.228033|5.816529|7.842189|5.865526|4.247674|18.818198|36.858105| |3.962016|4.271485|5.507492|7.040286|5.866970|4.433712|11.542312|15.957827|73.516695| |2.934215|3.236495|4.164584|4.944879|4.035974|3.175550|10.208050|12.392549|14.483303|36.858105| |2.730314|2.960913|3.736723|4.487629|3.793597|2.989094|9.227408|8.644885|10.710579|17.718056|0.500000| |2.706759|3.091345|3.935916|4.197623|3.363098|2.790638|7.728409|7.383964|10.386453|12.291698|0.243150|36.858105| |2.317960|2.577066|3.107502|3.285768|2.796059|2.391640|5.579424|5.296661|8.568316|8.037381|0.179281|12.705637|36.858105| |2.284522|2.473826|2.937507|3.209287|2.828262|2.407913|5.398318|5.364166|9.217683|8.012509|0.180005|8.087874|14.476687|36.858105| |2.611380|2.791950|3.387206|3.928853|3.472946|2.839553|6.966718|7.828802|13.184847|12.609057|0.252263|7.843434|8.330165|13.029634|53.358707| |2.813419|2.986858|3.594355|4.178410|3.743349|3.070939|7.035098|8.225578|17.234633|9.303358|0.186319|6.505633|6.678947|9.364481|25.493370|0.500000| |2.356111|2.440662|2.870207|3.378945|3.169565|2.616492|5.776896|5.646504|9.617077|7.470867|0.208357|5.139664|5.474239|7.772471|17.252378|0.257349|36.858105| |2.097861|2.151222|2.451536|2.792017|2.681560|2.301322|4.468159|4.162363|7.672866|4.969441|0.132736|4.010411|4.633764|6.727033|10.631591|0.200096|12.667050|36.858105| |1.971165|1.980501|2.208277|2.515558|2.499387|2.181841|3.888783|3.445761|6.440362|3.811677|0.104628|3.142127|3.466244|4.520117|7.038838|0.142117|7.530897|13.728715|36.858105| |1.769736|1.774844|1.945881|2.166532|2.159310|1.931887|3.264549|2.824104|5.325990|3.072738|0.083559|2.676180|3.000068|3.779737|5.417837|0.111582|5.020011|7.924449|13.791801|36.858105| |1.688942|1.713595|1.876510|2.049894|2.009791|1.813079|3.080747|2.675075|5.053666|2.956344|0.078972|2.687023|3.132035|3.956894|5.236001|0.107737|4.462387|6.885985|7.968097|13.722609|36.858105| |1.766467|1.820291|2.018083|2.189853|2.099784|1.879512|3.341587|2.967650|5.584292|3.400055|0.088905|3.165282|3.904005|5.179732|6.288553|0.127232|5.052214|7.909587|6.866382|7.907119|13.785512|36.858105| |1.966230|2.043673|2.315036|2.552246|2.408502|2.107075|4.021892|3.716910|6.909641|4.500209|0.115879|4.032614|5.143519|7.839809|9.365170|0.179472|7.661737|13.705085|7.936362|6.864807|7.967759|13.732603|36.858105| |2.030637|2.158442|2.482271|2.688177|2.455012|2.140667|4.309451|4.049882|7.339706|5.238005|0.129045|5.146568|7.733108|14.002805|10.872536|0.194486|6.831095|7.919416|5.184418|4.562274|5.179026|7.864413|13.599577|53.358707| |2.002030|2.228215|2.597557|2.637501|2.284954|2.022044|4.222721|3.665778|6.140293|4.729672|0.117336|6.771345|11.126264|7.096672|6.571724|0.119252|3.796291|3.530030|2.814916|2.569753|2.771074|3.438137|4.099872|7.963982|448.794386| |3.639702|4.054690|5.501415|7.048252|5.368539|4.001102|15.445088|7.070450|8.935833|6.120679|0.187388|5.075240|3.706115|3.484262|5.749189|0.110116|3.774553|2.924242|2.578092|2.181967|2.058496|2.218441|2.640426|3.849444|23.503100|388.023441| |4.007650|4.452981|5.770697|6.808300|5.472678|4.312412|10.429415|5.031908|7.159969|4.275841|0.125153|3.832652|2.968119|2.797096|4.436602|0.087683|2.982286|2.429477|2.202149|1.905331|1.802443|1.918164|2.223067|3.204346|19.860526|96.462933|73.516695| |3.022682|3.437751|4.527095|5.119777|3.989840|3.184817|10.384000|6.336524|8.087436|6.877137|0.220434|6.503056|4.425992|3.907057|6.098058|0.111130|3.870339|2.989656|2.567490|2.186062|2.099587|2.307550|2.772589|4.189666|27.962303|95.669870|13.688411|73.516695| |3.126922|3.261039|4.059303|5.283939|4.773959|3.597465|10.205674|6.025218|8.114054|5.707319|0.197424|4.331555|3.441100|3.424686|5.841149|0.109371|4.248085|3.195285|2.870673|2.376928|2.185953|2.314553|2.765516|3.885675|21.751523|86.142603|13.769402|14.368281|73.516695| |3.138598|3.112326|3.665663|4.766025|4.870693|3.751350|7.735525|4.665188|6.934689|4.209719|0.134824|3.331463|2.795860|2.845845|4.769973|0.092794|3.625594|2.870466|2.697066|2.258621|2.047250|2.116147|2.466078|3.364931|18.277628|51.521767|11.565712|9.186005|24.039711|36.858105| |2.931421|2.890911|3.283970|3.996328|4.110211|3.405504|5.989966|3.614137|5.543233|3.328834|0.104152|2.816056|2.396801|2.397995|3.844744|0.075212|2.892179|2.386955|2.270929|1.952679|1.789050|1.841039|2.102237|2.881552|16.234235|41.062291|11.069567|7.827143|14.029039|13.819201|36.858105| 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|3.095857|2.963722|3.394513|4.458752|4.960199|3.839405|6.877103|4.529462|7.170216|4.006434|0.123937|3.094412|2.692884|2.841541|4.871253|0.097137|3.879703|3.112133|3.017344|2.492786|2.205617|2.237989|2.597105|3.435252|17.526841|37.541598|8.397706|7.248523|14.225145|13.818425|7.879950|6.867844|7.937260|13.746256|36.858105| |17.730814|8.922437|5.651632|4.981068|5.648364|8.922830|4.908619|3.151536|5.859456|2.524683|0.065751|2.363671|2.067230|2.041706|3.122842|0.068453|2.095936|1.899258|1.803261|1.639224|1.569556|1.631730|1.792860|2.507864|14.603769|21.596299|5.943890|4.611456|4.759168|2.718999|2.593717|2.480113|2.470734|2.572834|2.704286|0.500000| |8.906159|17.737350|8.936540|5.669409|4.945107|5.640750|5.676241|3.586511|6.440071|2.886178|0.073537|2.859226|2.419927|2.296031|3.432213|0.074428|2.204728|1.971320|1.816386|1.646734|1.605369|1.709216|1.900620|2.750139|17.246535|24.791139|6.799881|5.502336|5.032866|2.690033|2.545409|2.320261|2.229474|2.323444|2.552274|0.214874|0.500000| |5.643246|8.899993|17.725988|8.918519|5.634789|4.949285|9.830492|5.696544|9.195436|4.352066|0.107199|4.425051|3.386220|3.082782|4.693003|0.099710|2.851510|2.433343|2.160214|1.911109|1.865376|2.031719|2.338576|3.492470|22.968291|39.265789|9.938884|8.818460|6.954964|3.394827|3.068003|2.629464|2.473673|2.636772|3.083282|0.124113|0.214824|0.500000| |5.643824|4.946356|5.634041|8.917740|17.753240|8.907559|9.665364|5.773789|10.186899|4.099823|0.110227|3.272487|2.769400|2.869524|4.915657|0.107348|3.441427|2.879224|2.723919|2.318368|2.117615|2.186595|2.517440|3.420286|17.999911|37.554397|9.112203|6.940696|9.401569|5.789172|4.607666|4.168379|4.414135|5.385445|6.496964|0.124154|0.107438|0.124104|0.500000| |8.910709|5.641591|4.949943|5.673922|8.937491|17.735390|5.647571|3.607498|6.757658|2.810054|0.074525|2.465307|2.162537|2.204358|3.517815|0.077478|2.446752|2.187782|2.115595|1.886925|1.758253|1.798808|1.993518|2.715161|14.822986|24.356123|6.520149|4.944850|5.765581|3.510566|3.242995|3.185530|3.352828|3.633093|3.729595|0.215012|0.124056|0.107485|0.215085|0.500000| |2.554811|2.922225|3.690585|3.882724|3.127875|2.618982|7.093995|5.908814|8.233958|8.756952|0.226786|17.674918|8.822856|6.054066|7.955899|0.135820|4.415464|3.488131|2.818228|2.425509|2.425098|2.807109|3.475257|5.828901|49.945537|37.970769|7.162980|14.011260|7.943684|3.367099|2.906644|2.415148|2.272162|2.478305|3.021113|0.062349|0.075814|0.116773|0.084661|0.064545|0.500000| |2.962971|3.499564|4.544056|4.572187|3.535842|2.973688|7.959258|7.299250|10.890870|8.656926|0.175921|17.562988|8.872506|6.302185|8.470585|0.163369|4.255035|3.499511|2.831115|2.459632|2.482537|2.893247|3.557305|6.024109|48.565423|34.624873|6.859501|10.421706|6.983867|3.117885|2.680085|2.278541|2.186375|2.409321|2.904020|0.071467|0.090741|0.149103|0.092289|0.071836|0.302320|0.500000| |2.540099|2.582007|3.032143|3.704785|3.590233|2.900289|6.315675|6.033929|10.354753|6.857561|0.197243|4.539405|4.447164|5.667276|12.358350|0.225428|17.631919|8.821384|7.042112|4.679019|3.958873|4.193812|5.659488|6.840621|25.858151|28.786642|5.690171|6.940262|8.530563|4.224435|3.246475|2.867621|3.019042|3.759433|4.787995|0.062362|0.063824|0.081558|0.112541|0.075824|0.110677|0.108827|0.500000| |2.197111|2.289922|2.693787|3.133173|2.911890|2.419138|5.420113|4.968523|7.953277|7.009148|0.227315|5.119249|5.438015|7.072381|12.440397|0.181432|17.594701|8.794078|6.113418|4.402374|3.997473|4.504629|6.417592|8.373693|31.084629|27.171413|5.326156|7.254806|7.859124|3.686224|2.970598|2.587195|2.620508|3.079188|3.805096|0.054516|0.057889|0.075298|0.087371|0.062890|0.129770|0.113534|0.299976|0.500000| |2.024174|2.008269|2.232888|2.584799|2.622196|2.276553|3.980270|3.447512|6.376853|3.693786|0.104031|2.972666|3.140486|3.927784|6.411602|0.129714|6.958637|8.923086|17.706669|8.934227|5.656675|4.947738|5.645885|5.714306|20.478705|18.918874|4.056908|4.605733|5.426414|2.942457|2.454447|2.310300|2.509905|3.039434|3.403418|0.051381|0.050796|0.059956|0.081143|0.061893|0.075095|0.074750|0.211178|0.161972|0.500000| |1.680482|1.668983|1.809338|2.010213|2.032183|1.838546|2.983089|2.521503|4.746461|2.680353|0.073594|2.348846|2.574638|3.128519|4.518102|0.093608|4.087442|5.641403|8.927747|17.747888|8.894579|5.634568|4.950127|4.939942|18.023576|14.301133|3.166581|3.546161|3.913628|2.133395|1.864454|1.786531|1.918625|2.215868|2.375015|0.043535|0.043084|0.049077|0.060850|0.050418|0.059890|0.060608|0.110948|0.102393|0.215292|0.500000| |1.561949|1.580607|1.712420|1.850695|1.822306|1.665607|2.742417|2.337917|4.412430|2.544477|0.068158|2.360754|2.724520|3.307846|4.330459|0.089578|3.565427|4.960076|5.660796|8.912258|17.734344|8.967687|5.667146|5.707514|20.015531|13.124209|2.911218|3.342950|3.460707|1.839475|1.628593|1.542045|1.616015|1.822511|1.973571|0.040633|0.041402|0.047310|0.053048|0.045095|0.059848|0.061374|0.090130|0.090985|0.124306|0.214480|0.500000| |1.676459|1.738441|1.916469|2.044627|1.947293|1.761397|3.090595|2.710186|5.084510|3.090465|0.080334|3.006914|3.774740|4.759844|5.472619|0.111028|4.119043|5.631865|4.948855|5.629396|8.908734|17.719744|8.904762|9.766375|28.397531|14.670334|3.200810|3.850210|3.761454|1.931851|1.700977|1.576091|1.618434|1.815324|2.017021|0.043237|0.045767|0.054045|0.055658|0.046744|0.074581|0.077433|0.096739|0.105359|0.107440|0.123929|0.215847|0.500000| |1.889206|2.016147|2.292565|2.430164|2.218713|1.965650|3.819468|3.468024|6.276790|4.330686|0.108317|4.579867|6.964084|9.422012|7.891521|0.147693|5.053947|5.776169|4.261571|4.007236|4.767851|7.254547|9.161293|26.027471|51.657651|18.100017|3.836420|4.965257|4.503495|2.212478|1.928416|1.739423|1.748434|1.954778|2.238546|0.048002|0.053061|0.066403|0.062452|0.050989|0.109278|0.112996|0.110612|0.133100|0.097950|0.091024|0.112735|0.216589|0.500000| |2.820766|2.854624|3.257190|3.809570|3.733918|3.158204|5.739525|3.427380|5.200625|3.224256|0.100982|2.825263|2.381203|2.333456|3.660513|0.071049|2.697601|2.237395|2.105306|1.827045|1.695475|1.759212|2.005027|2.789328|16.347598|42.501548|12.369520|8.399885|12.795883|8.925907|17.767691|8.872555|5.628129|4.938569|5.628941|0.069633|0.070848|0.086588|0.110443|0.082288|0.082959|0.074948|0.081871|0.077887|0.062253|0.048302|0.043027|0.045523|0.052287|0.500000| |2.530903|2.420880|2.588815|2.971434|3.184009|2.884089|4.135022|2.619746|4.233892|2.434476|0.073611|2.143745|1.891346|1.900084|2.953004|0.058706|2.239885|1.939751|1.895869|1.674681|1.537868|1.558810|1.733780|2.350340|13.243647|25.417476|7.106568|5.310222|7.464824|5.694373|8.950512|17.738384|8.911441|5.644215|4.950967|0.064737|0.060653|0.067102|0.096940|0.080066|0.061088|0.057586|0.068768|0.063422|0.056961|0.045222|0.039470|0.040321|0.044335|0.214438|0.500000| |2.492973|2.296511|2.414248|2.831773|3.229104|2.959445|3.872806|2.568551|4.315844|2.354221|0.070015|2.021573|1.827935|1.891257|2.984681|0.060423|2.334230|2.062117|2.082765|1.838496|1.652494|1.640100|1.807953|2.384768|12.693942|21.571163|5.610862|4.540347|6.486462|4.994367|5.639813|8.918954|17.735615|8.921528|5.647727|0.064356|0.057039|0.061387|0.104204|0.086413|0.055966|0.054249|0.073687|0.064547|0.064223|0.050427|0.042429|0.041981|0.044673|0.123880|0.214986|0.500000| |2.716726|2.492540|2.680281|3.298143|3.882453|3.365058|4.623795|3.212654|5.523110|2.891833|0.085472|2.360104|2.152500|2.301667|3.786689|0.077732|3.076488|2.689034|2.774638|2.371898|2.066166|2.027520|2.264297|2.910212|14.507061|23.852966|5.725213|4.981778|7.507437|5.680408|4.935749|5.641848|8.907407|17.732178|8.929481|0.068636|0.060773|0.067379|0.136892|0.098210|0.063500|0.062664|0.102947|0.082368|0.089066|0.065020|0.052215|0.050844|0.053434|0.107300|0.124079|0.214822|0.500000| |3.088679|2.977874|3.451034|4.596087|5.048462|3.830336|7.349366|5.264742|8.481002|4.622679|0.141296|3.392057|2.983423|3.241265|5.814398|0.116893|4.789784|3.722979|3.598942|2.878423|2.506318|2.542541|3.002127|3.908624|18.943286|36.318572|7.634489|7.272239|13.088830|8.933095|5.629586|4.950564|5.635188|8.870787|17.729860|0.074618|0.071112|0.087322|0.186573|0.102505|0.089473|0.087465|0.177047|0.125599|0.114856|0.075350|0.061435|0.062738|0.069517|0.124199|0.107512|0.123921|0.213970|0.500000| 2237.948264 -12912.950676 4836.734682 -237.738161 -6076.005891 3835.447072 -2240.558819 2.001166 40B3B0000000001C 452283048123CE05 44A2E16B9B2BA84F 427F86D92DBFFFFD 37E90B76BE106B7F 44B2249319CF0F01