Version2.1 2021-01-15T17:03:16Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)C)N2[C@H](N[NH2+]N2)SCC(=O)N[C@@H](CC3=c4ccccc4=[NH+]C3)C(=O)[O-] C64683778 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)C)N2[C@H](N[NH2+]N2)SCC(=O)N[C@@H](CC3=c4ccccc4=[NH+]C3)C(=O)[O-] C01[X(C22H27N6O3S1)] 171 C1 538 O=C(N[C@H](C(=O)[O-])CC1=c2ccccc2=[NH+]C1)CS[C@H]1N[NH2+]NN1c1ccc(cc1C)C O=C(N[C@H](C(=O)[O-])CC1=c2ccccc2=[NH+]C1)CS[C@H]1N[NH2+]NN1c1ccc(cc1C)C Cc1ccc(N2N[NH2+]N[C@@H]2SCC(=O)N[C@@H](CC3=C4C=CC=CC4=[NH+]C3)C([O-])=O)c(C)c1 InChIKey=ZCCSUDBNLSJEIZ-AVRDEDQJSA-O InChI=1S/C22H26N6O3S/c1-13-7-8-19(14(2)9-13)28-22(25-26-27-28)32-12-20(29)24-18(21(30)31)10-15-11-23-17-6-4-3-5-16(15)17/h3-9,18,22,25-27H,10-12H2,1-2H3,(H,24,29)(H,30,31)/p+1/t18-,22-/m0/s1 InChI=1/C22H26N6O3S/c1-13-7-8-19(14(2)9-13)28-22(25-26-27-28)32-12-20(29)24-18(21(30)31)10-15-11-23-17-6-4-3-5-16(15)17/h3-9,18,22,25-27H,10-12H2,1-2H3,(H,24,29)(H,30,31)/p+1/t18-,22-/m0/s1/fC22H27N6O3S/h23-24,26H/q+1 Cc1ccc(c(c1)C)N2[C@H](N[NH2+]N2)SCC(=O)N[C@@H](CC3=c4ccccc4=[NH+]C3)C(=O)[O-] C01[X(C22H27N6O3S1)] 171 C01 538 O=C(N[C@H](C(=O)[O-])CC1=c2ccccc2=[NH+]C1)CS[C@H]1N[NH2+]NN1c1ccc(cc1C)C O=[C]([O])[C@H](CC1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1)[NH][C](=O)CS[C@H]1N[NH2]N[N@]1[C]1[CH][CH][C]([CH][C]1C)C C[C]1[CH][CH][C]([C](C)[CH]1)N2N[NH2]N[C@@H]2SCC(=O)N[C@@H](CC3=C4C=CC=C[C]4NC3)C([O])=O InChIKey=UARINSVGFFXCKS-AVRDEDQJSA-N InChI=1S/C22H27N6O3S/c1-13-7-8-19(14(2)9-13)28-22(25-26-27-28)32-12-20(29)24-18(21(30)31)10-15-11-23-17-6-4-3-5-16(15)17/h3-9,18,22-23,25,27H,10-12,26H2,1-2H3,(H,24,29)/t18-,22-/m0/s1 InChI=1/C22H27N6O3S/c1-13-7-8-19(14(2)9-13)28-22(25-26-27-28)32-12-20(29)24-18(21(30)31)10-15-11-23-17-6-4-3-5-16(15)17/h3-9,18,22-23,25,27H,10-12,26H2,1-2H3,(H,24,29)/t18-,22-/m0/s1/f/h24H 3450.2594118081 -1797.2833842 1-A 18789.3992 120 418 538 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.04815 -20.63101 -20.56728 -20.55326 -15.89082 -15.79654 -15.74709 -15.73522 -15.72978 -15.68366 -11.45686 -11.45648 -11.45224 -11.42632 -11.40575 -11.40020 -11.39772 -11.38197 -11.37360 -11.36977 -11.36612 -11.36245 -11.36159 -11.35889 -11.34284 -11.33374 -11.32855 -11.32613 -11.31093 -11.30850 -11.30570 -11.29241 -9.05855 -6.74123 -6.73993 -6.73766 -1.61199 -1.49855 -1.45291 -1.45228 -1.40646 -1.35471 -1.33484 -1.33031 -1.28165 -1.25270 -1.24034 -1.17644 -1.16840 -1.15390 -1.14543 -1.13308 -1.11589 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0.3203 0.5797 0.3736 0.4724 0.5050 0.8563 0.7271 0.2193 0.8558 0.6086 0.3741 0.4028 0.3318 0.6519 0.4421 0.7122 0.8534 0.7909 0.2567 0.3479 0.1717 0.5297 0.2196 0.8570 0.8567 0.6691 0.5104 0.8102 0.7942 0.8511 0.8570 0.8562 0.8307 0.2871 0.7757 0.2077 0.8406 0.4312 0.7999 0.6349 0.7175 0.7030 0.6115 0.0486 0.8570 0.6993 0.8291 0.8488 0.7856 0.8571 0.5681 0.8477 0.2763 0.8361 0.5761 0.8020 0.5457 0.5096 0.3119 0.6349 0.6210 0.2848 0.8531 0.7178 0.7560 0.8565 0.8502 0.5296 0.5265 0.6097 0.6225 0.2517 0.3757 0.8358 0.6573 0.8567 0.7019 0.7492 0.6178 0.6171 0.8359 0.3175 0.3346 0.3672 0.6289 0.8326 0.2385 0.8024 0.4615 0.7976 0.4686 0.8564 0.8356 0.8564 0.8547 0.8431 0.3546 0.6252 0.6843 0.8489 0.7801 0.3957 0.6717 0.5452 0.7376 0.8555 0.5769 0.4111 0.7800 0.4846 0.0996 0.0462 0.4939 0.1036 0.7624 0.8331 0.8242 0.1865 0.8565 0.8267 0.6889 0.7792 0.3568 0.8414 0.8460 0.5185 0.3072 0.7776 0.8544 0.3599 0.2232 0.1410 0.8231 0.6365 0.2348 0.4762 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 55 56 57 58 59 6 6 6 6 6 6 6 6 7 6 1 7 7 1 1 7 16 6 6 8 7 6 1 6 6 6 6 6 6 6 6 7 1 6 6 8 8 1 1 1 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 12.00000 12.00000 14.00307 12.00000 1.00783 14.00307 14.00307 1.00783 1.00783 14.00307 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 15.99491 15.99491 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 7549.8065 29331.1860 31401.8529 0.99997 -0.00401 0.00595 0.00420 0.99947 -0.03221 -0.00582 0.03223 0.99946 1 0.01147 0.00295 0.00276 0.23904 0.06153 0.05747 17.04 20.14 22.89 24.29 33.14 65.88 69.27 79.83 91.66 118.40 121.21 147.67 159.00 175.39 179.50 207.67 246.63 283.54 289.77 303.41 316.42 340.15 344.53 389.48 410.42 419.22 440.24 458.58 484.26 497.50 565.31 602.63 607.14 661.99 689.49 704.97 712.13 741.18 754.27 782.62 790.29 804.14 828.49 841.41 887.17 890.22 911.32 919.64 935.42 1017.91 1047.72 1055.73 1117.94 1129.34 1131.94 1144.44 1160.31 1189.07 1199.53 1228.10 1245.24 1286.42 1332.23 1345.27 1355.86 1366.48 1379.52 1428.06 1438.28 1444.48 1449.92 1454.85 1499.39 1521.69 1527.53 1545.10 1560.76 1579.71 1582.20 1589.58 1596.78 1608.12 1633.82 1634.69 1661.26 1666.62 1682.70 1690.99 1719.26 1749.28 1786.38 1793.97 1796.45 1817.15 1838.40 1842.60 1863.73 1880.01 1899.28 1906.76 1908.57 1929.28 1955.41 1962.27 1975.74 1996.04 2028.28 2032.38 2065.09 2066.10 2088.99 2115.37 2123.15 2148.01 2156.96 2168.88 2197.13 2205.89 2248.53 2250.23 2255.99 2262.54 2264.92 2269.17 2299.88 2324.31 2332.58 2344.74 2347.89 2351.50 2358.76 2365.64 2425.88 2432.48 2437.65 2495.78 2536.98 2555.12 2568.22 2610.36 2635.16 2655.86 2781.67 2799.16 4549.52 4620.57 4625.41 4663.09 4675.33 4690.67 4705.39 4706.35 4711.96 4740.17 4751.43 4751.59 4760.79 4774.11 4798.30 4836.30 4840.75 4869.26 4872.29 4893.23 4903.41 4918.17 5237.81 5255.04 5378.28 5578.82 5585.69 0.522268 0.550731 0.551675 0.456728 -1796.761117 -1796.732653 -1796.731709 -1796.826656 3.184538D-04 MUNgauss RevisionA2.0 retrievium 15-Jan-2021 DUDE Cc1ccc(c(c1)C)N2[C@H](N[NH2+]N2)SCC(=O)N[C@@H](CC3=c4ccccc4=[NH+]C3)C(=O)[O-] C64683778 RHF 6-31G(d) (6D,10F) C1 455.186536 |X|Y|Z| 40.895397 52.442915 119.861019 63.583789 26 6 7 16 19 6 1 |36.858105| |12.616089|36.858105| |7.544500|13.730327|36.858105| |5.020411|7.928316|13.777456|36.858105| |4.436608|6.842535|7.931563|13.754781|36.858105| |4.997831|7.819906|6.812032|7.886840|13.660116|36.858105| |7.563390|13.693639|7.983692|6.936904|8.002929|13.735195|36.858105| |3.787141|4.995824|4.423219|4.999005|7.501123|12.610784|7.571697|36.858105| |3.325789|4.516071|5.120735|7.762057|13.281748|7.844415|5.166175|6.634791|53.358707| |2.862191|3.677234|4.108035|5.646424|7.472077|5.564887|4.091148|5.248198|17.906442|36.858105| |2.819076|3.570171|3.776169|4.838355|6.530785|5.643695|4.135734|5.865939|12.538083|17.666888|0.500000| |2.405008|2.967897|3.287396|4.285316|5.204767|4.175010|3.243219|4.186525|11.433299|12.989943|0.251395|53.358707| |2.463162|3.056581|3.395546|4.457577|5.450837|4.330314|3.342838|4.314355|12.167894|8.318759|0.175625|18.145803|53.358707| |2.421175|2.983194|3.195484|4.046064|5.124799|4.397313|3.361293|4.710372|10.643408|6.874518|0.165235|12.707764|25.602897|0.500000| |2.240078|2.714268|3.031035|3.854504|4.386789|3.576895|2.893780|3.533634|8.523340|6.090637|0.135242|12.877238|25.696835|0.321373|0.500000| |2.934122|3.799705|4.430787|6.376087|7.875577|5.419329|4.080438|4.811338|18.456132|8.312846|0.167270|11.376105|18.310407|0.268045|0.262610|53.358707| |2.840820|3.550730|4.182685|5.549221|5.791983|4.385879|3.629944|3.835213|9.341881|10.375561|0.219853|9.474819|7.043073|0.119776|0.124666|7.616252|388.023441| |2.256378|2.675273|2.990023|3.629468|3.844653|3.237210|2.768074|3.075862|6.244930|6.772844|0.173023|8.494310|5.939355|0.104300|0.111586|5.603689|74.214457|36.858105| |2.155498|2.530284|2.709568|3.196621|3.549642|3.176833|2.704225|3.190940|5.717955|6.144039|0.188061|7.710844|5.423778|0.101050|0.099948|4.938976|48.510838|12.502505|36.858105| |2.196750|2.547351|2.671537|3.057157|3.373042|3.135224|2.730280|3.159388|5.120648|5.106896|0.165165|6.012128|4.564305|0.087365|0.083937|4.323041|40.889444|7.977367|15.814611|73.516695| |1.980797|2.312909|2.448049|2.882193|3.267257|2.972191|2.506478|3.109795|5.447553|5.661412|0.174279|8.307708|5.762788|0.110079|0.107497|4.887908|37.097614|7.859042|14.147778|15.088324|53.358707| |1.900664|2.196510|2.259817|2.602184|3.005342|2.869883|2.430578|3.156715|4.884908|4.680741|0.154378|6.699567|5.100010|0.103575|0.094528|4.339668|28.535590|5.039973|7.740999|11.970003|17.872995|36.858105| |2.039344|2.364004|2.395478|2.737895|3.209820|3.145409|2.656608|3.523620|5.090059|4.834245|0.171684|6.308326|4.904884|0.100700|0.088850|4.333699|29.200977|4.815021|7.472732|13.477808|12.597892|17.588843|0.500000| |1.668194|1.884144|1.927752|2.165217|2.426443|2.346635|2.053773|2.550469|3.790992|3.421937|0.107241|4.889172|3.975582|0.080873|0.076261|3.469496|22.436618|3.980959|5.579235|9.499991|10.372049|12.375399|0.246077|36.858105| |1.644609|1.837393|1.877817|2.078810|2.283739|2.215505|1.978663|2.356023|3.460675|3.097990|0.096427|4.222154|3.470478|0.069597|0.066684|3.140659|21.706488|3.903820|5.484646|10.507118|8.404311|7.505498|0.193383|12.776080|36.858105| |1.533745|1.697261|1.748724|1.922048|2.065365|1.984018|1.797065|2.065201|3.096165|2.734333|0.082231|3.750582|3.127047|0.061945|0.061093|2.861409|20.033580|3.668314|4.751276|8.931864|6.831849|5.221312|0.133224|7.398554|13.994320|36.858105| |1.429417|1.577618|1.640680|1.806498|1.919398|1.822222|1.654295|1.879087|2.893588|2.530655|0.073874|3.577320|3.015786|0.059311|0.060077|2.740968|18.703268|3.458597|4.144285|7.235408|6.102625|4.376117|0.107067|5.821368|7.431451|13.232660|36.858105| |1.345767|1.470791|1.531800|1.669075|1.746926|1.658968|1.525825|1.691028|2.593436|2.227701|0.064205|3.115417|2.676378|0.052465|0.053656|2.473092|16.844094|3.036621|3.439105|6.112713|4.808316|3.381413|0.085874|4.146080|5.130940|7.955596|14.180514|36.858105| |1.342335|1.455146|1.507389|1.623839|1.688864|1.616783|1.503709|1.639937|2.464301|2.097082|0.060803|2.858410|2.474216|0.048598|0.049232|2.326284|16.078285|2.820549|3.181730|5.930316|4.252485|3.022354|0.079969|3.591781|4.644600|6.889259|7.875739|13.200078|36.858105| |1.417897|1.535933|1.578741|1.693508|1.770532|1.711138|1.595148|1.742204|2.562927|2.185983|0.064426|2.917354|2.514812|0.049613|0.049449|2.380720|16.735789|2.897950|3.375980|6.620468|4.407483|3.204888|0.087559|3.802503|5.284993|7.669359|6.623337|7.717723|14.053361|36.858105| |1.524345|1.668211|1.707701|1.848238|1.964476|1.906065|1.755246|1.966458|2.873012|2.492473|0.075040|3.313590|2.809210|0.055680|0.054661|2.633217|18.703284|3.289186|4.102009|8.299516|5.429364|4.095198|0.112837|5.107161|8.409038|13.245461|7.661546|6.817176|8.070940|13.446055|36.858105| |1.618280|1.770388|1.790123|1.926787|2.067788|2.038749|1.881149|2.123985|2.992683|2.586024|0.079709|3.353642|2.849294|0.056956|0.054719|2.692658|19.105584|3.235647|4.141196|8.938208|5.378597|4.251986|0.125317|5.087172|8.259743|8.450844|5.298457|4.655187|5.256101|7.717887|14.488203|53.358707| |1.620342|1.756054|1.764114|1.875867|1.998590|1.987465|1.858361|2.058386|2.843445|2.418213|0.074304|3.091680|2.661604|0.053267|0.051060|2.550877|18.025998|2.952928|3.644478|7.934364|4.624073|3.602313|0.108263|4.080047|5.823383|5.926835|4.239566|3.951083|4.640909|6.813460|9.274516|26.037090|0.500000| |1.720946|1.909034|1.921689|2.095073|2.302902|2.284067|2.066485|2.436864|3.391336|2.979884|0.094806|3.868851|3.236267|0.065336|0.061391|3.010418|21.041561|3.560769|4.894027|10.633612|6.687814|5.875996|0.182730|7.258889|12.707609|8.212103|5.084538|4.101909|4.151189|5.195594|8.366017|17.898575|0.244081|36.858105| |1.865218|2.162702|2.212752|2.560664|3.016526|2.905647|2.424439|3.314188|5.040795|4.562731|0.145967|7.141810|5.744372|0.123381|0.106542|4.622381|25.373169|4.076863|5.217695|8.047025|10.435876|12.159619|0.247581|7.508183|4.901122|3.810527|3.450180|2.782751|2.484995|2.575397|3.120513|4.374195|0.078607|4.135892|36.858105| |1.952539|2.296487|2.387030|2.829632|3.373712|3.146780|2.568984|3.545150|5.968744|5.443571|0.163796|9.800788|7.697340|0.167228|0.141250|5.665919|28.076123|4.355949|5.099637|7.466370|9.801225|7.976342|0.179787|5.336410|3.926479|3.260458|3.066357|2.543497|2.273718|2.323674|2.732020|3.775719|0.069078|3.396351|15.218561|73.516695| |1.739998|1.987177|2.002167|2.267715|2.646595|2.623176|2.233434|3.042920|4.255737|3.632097|0.115068|5.462470|4.730139|0.103856|0.089253|3.938052|20.907872|3.267914|4.055450|6.661666|7.292394|8.121282|0.194961|6.897047|4.586349|3.570230|3.223012|2.626280|2.364150|2.459207|2.968967|4.208298|0.076132|3.982400|15.782871|15.215656|73.516695| |17.541843|8.869705|6.114990|4.403335|3.989860|4.498380|6.446261|3.550873|4.193879|2.750338|0.076524|3.130462|3.135934|0.062824|0.058258|3.654357|19.839797|2.247613|2.168416|3.994976|2.686239|1.899745|0.057039|1.678186|1.673263|1.562980|1.447915|1.367180|1.374168|1.460979|1.568745|2.281299|0.046970|1.771407|1.839106|3.380909|3.058249|0.500000| |17.574673|8.845678|5.710417|4.234370|3.974845|4.671436|6.992541|3.743418|4.182990|2.635436|0.072791|3.071702|3.183341|0.064879|0.059264|3.737891|18.070648|2.065327|1.999475|3.617199|2.538373|1.813327|0.054018|1.599215|1.568366|1.458693|1.360305|1.279571|1.274583|1.345357|1.447334|2.094201|0.042789|1.641367|1.800722|3.343438|3.015752|0.302139|0.500000| |17.589564|8.840599|7.177818|4.730668|3.963778|4.162984|5.603315|3.229072|4.169075|2.656422|0.071454|3.092596|3.185267|0.063290|0.059952|3.802937|19.188971|2.156429|2.029539|3.649417|2.540097|1.775535|0.052359|1.569295|1.549931|1.458347|1.370283|1.297386|1.293610|1.358542|1.449275|2.076877|0.042412|1.609800|1.742145|3.255062|2.886659|0.301941|0.301585|0.500000| |6.966771|8.901616|17.724769|8.950130|5.651127|4.920959|5.657741|3.539919|5.660718|3.516266|0.089493|3.976164|4.091728|0.078009|0.076562|5.197597|26.794702|2.779935|2.486335|4.359985|3.053456|2.059885|0.060082|1.784652|1.752429|1.652132|1.562264|1.471973|1.453209|1.515187|1.621498|2.297272|0.046352|1.788361|2.006436|3.831685|3.242057|0.160979|0.145319|0.217317|0.500000| |4.097600|5.651184|8.962579|17.709323|8.896521|5.617184|4.984501|4.071472|9.651968|5.614696|0.126748|6.081567|6.308178|0.111604|0.114855|9.134190|43.394247|3.893733|3.259877|5.414903|3.983768|2.574948|0.073788|2.153557|2.069184|1.935374|1.841456|1.707801|1.652866|1.708058|1.851373|2.592521|0.051274|2.054771|2.521559|5.005784|3.937810|0.102458|0.097713|0.112596|0.217247|0.500000| |7.056303|8.942931|5.671839|4.984302|5.679082|8.971045|17.707216|7.077741|5.700723|3.486267|0.100713|3.890640|3.993153|0.083525|0.071442|4.660825|22.014680|2.473919|2.473068|4.496223|3.156892|2.298598|0.070222|1.968801|1.901879|1.723680|1.580780|1.460392|1.445363|1.539181|1.693330|2.487298|0.050433|2.006830|2.303075|4.269095|3.839930|0.177042|0.207678|0.142315|0.124364|0.108045|0.500000| |3.324104|4.264902|3.965036|4.599604|6.735005|8.839655|5.842056|17.576516|9.290156|5.174002|0.153673|6.062547|6.689229|0.159207|0.110432|7.265977|25.766790|2.971939|3.058857|5.236245|4.192931|3.138088|0.094607|2.531295|2.289761|2.010133|1.850624|1.660594|1.594516|1.677704|1.889351|2.744977|0.053863|2.317700|3.451264|6.782152|5.644797|0.085306|0.092355|0.081202|0.090355|0.108268|0.151532|0.500000| |3.844520|4.773614|3.982823|4.179329|5.565758|8.883053|7.323011|17.605443|6.590690|4.065082|0.125313|4.618685|4.753986|0.105651|0.082488|5.204069|22.778199|2.658757|2.781323|4.992495|3.697915|2.808100|0.087260|2.338889|2.184969|1.924101|1.748242|1.583865|1.547206|1.649352|1.852407|2.740125|0.054705|2.291610|2.936329|5.437457|4.940210|0.101088|0.109865|0.089479|0.090631|0.095939|0.227710|0.301970|0.500000| |3.359679|4.289948|3.943768|4.525941|6.549632|8.807729|5.936507|17.549234|8.825230|5.879118|0.205375|6.181317|5.917148|0.130569|0.098247|6.213759|29.640626|3.425066|3.710672|6.623070|4.918581|3.749562|0.120801|2.942543|2.704078|2.322180|2.078664|1.849919|1.793051|1.920983|2.202537|3.277711|0.064465|2.825372|3.872069|7.182415|6.243263|0.090548|0.090595|0.080680|0.089877|0.106287|0.155847|0.302357|0.302712|0.500000| |2.221898|2.690673|2.887524|3.601821|4.388035|3.795520|2.987942|4.053423|8.750460|9.115575|0.236201|25.110379|12.904223|0.241382|0.209895|8.334709|39.250533|5.636391|5.854297|8.080122|9.832591|6.141459|0.153386|4.219759|3.455322|2.986576|2.828272|2.411709|2.188402|2.236459|2.581040|3.562358|0.066212|3.097840|7.226074|20.991061|9.062465|0.059515|0.058585|0.058005|0.071606|0.101435|0.075015|0.121018|0.092798|0.126167|0.500000| |2.852261|3.635994|4.440393|6.441462|6.749936|4.631735|3.708282|3.991075|12.927928|7.483901|0.147988|10.350339|13.375218|0.191229|0.241390|25.670870|43.746626|4.397586|3.645424|5.618023|4.791982|3.027665|0.083077|2.460708|2.260160|2.092525|2.025225|1.842051|1.732189|1.761645|1.930548|2.660597|0.051479|2.154948|3.127205|6.698315|4.735065|0.072872|0.073078|0.076969|0.110308|0.216093|0.086511|0.117510|0.091235|0.107209|0.151795|0.500000| |2.186687|2.542867|2.846187|3.343107|3.397838|2.912116|2.574777|2.729568|5.194964|5.097522|0.133534|6.329250|4.840809|0.086655|0.092954|4.729695|57.794641|17.623482|8.945376|12.954764|8.063943|4.194465|0.113388|3.567547|3.697304|3.641680|3.465929|3.147527|2.986788|3.064772|3.383696|4.463663|0.084199|3.442256|3.398393|6.266095|5.035876|0.061146|0.055299|0.058544|0.075095|0.100222|0.064340|0.072542|0.066894|0.083329|0.118639|0.104309|0.500000| |2.092215|2.464665|2.765456|3.363020|3.544171|2.971393|2.542058|2.851145|5.923008|6.139188|0.149458|9.151870|6.363472|0.109124|0.125010|5.716885|56.103881|17.636894|8.770388|10.408951|10.246452|4.804247|0.120441|3.875288|3.657629|3.495882|3.455272|3.030017|2.734404|2.729376|3.051503|3.989177|0.073894|3.213099|4.111952|8.139446|5.819941|0.057291|0.053645|0.056017|0.072056|0.102176|0.063358|0.078579|0.068679|0.086565|0.167549|0.127168|0.300600|0.500000| |1.939657|2.271877|2.433088|2.900741|3.276031|2.918861|2.447371|3.033093|5.643726|5.825542|0.164899|9.924504|6.611001|0.123395|0.126411|5.313594|36.732098|7.549168|9.418457|10.874794|26.054648|9.215768|0.186723|6.184862|4.910804|4.247752|4.072085|3.282633|2.858000|2.881196|3.413282|4.515058|0.080677|3.956665|7.586555|14.979136|9.246216|0.053136|0.050830|0.051098|0.062134|0.083158|0.062536|0.085523|0.073158|0.095521|0.249969|0.107079|0.154523|0.238491|0.500000| |1.570859|1.768822|1.825398|2.053686|2.275078|2.173071|1.908898|2.334015|3.577042|3.197259|0.096485|4.755654|3.907260|0.078912|0.076682|3.366397|21.206277|3.823483|4.996008|8.052936|9.458352|8.827398|0.173942|17.600108|8.978182|7.002013|6.555454|4.490567|3.658506|3.668495|4.658864|5.877392|0.098207|5.428409|6.778137|9.258121|11.049528|0.043682|0.041856|0.041350|0.047276|0.057406|0.050660|0.065184|0.059438|0.073287|0.113733|0.066954|0.095708|0.108243|0.174870|0.500000| |1.616584|1.814355|1.833127|2.038815|2.297371|2.266653|1.993879|2.512975|3.548208|3.098319|0.097714|4.399117|3.706071|0.077068|0.071014|3.249960|19.845138|3.325527|4.409342|7.758713|7.651866|8.983927|0.214132|17.577721|9.017876|5.834333|4.730624|3.580916|3.191303|3.406791|4.454583|6.317259|0.106661|6.631968|7.253647|8.839495|14.370628|0.045173|0.043396|0.042110|0.047058|0.055785|0.053715|0.069590|0.064907|0.080466|0.105500|0.063309|0.083563|0.089993|0.135099|0.303129|0.500000| |1.417165|1.571277|1.639681|1.819026|1.941761|1.833145|1.651651|1.898645|2.969229|2.600263|0.075232|3.787406|3.190745|0.062783|0.064167|2.849237|18.821115|3.491844|4.122867|6.837744|6.464610|4.615472|0.107785|6.167187|6.579332|8.724816|17.751189|9.023843|5.593335|4.823581|5.507527|5.843995|0.098241|4.434196|3.762546|5.976409|6.208234|0.039616|0.037546|0.037779|0.043295|0.051704|0.043733|0.052512|0.048836|0.058156|0.084278|0.058411|0.094578|0.100368|0.124877|0.220775|0.137594|0.500000| |1.277545|1.392538|1.455573|1.584492|1.648271|1.559230|1.437597|1.583112|2.447770|2.081370|0.059214|2.946139|2.561307|0.050115|0.051894|2.365232|15.731359|2.801088|3.057547|5.314818|4.306902|2.996619|0.075698|3.565001|4.101662|5.627370|9.036391|17.755335|8.776535|5.588951|4.928173|5.020088|0.089942|3.355458|2.555519|4.230200|4.298624|0.035928|0.033784|0.034369|0.039034|0.045279|0.038188|0.043434|0.041218|0.047689|0.063003|0.049165|0.080651|0.079336|0.084187|0.109868|0.087138|0.215481|0.500000| |1.272156|1.369682|1.419985|1.519601|1.566810|1.500160|1.405934|1.512651|2.269004|1.906684|0.054801|2.597293|2.276652|0.044688|0.045524|2.156252|14.699126|2.524724|2.759694|5.110194|3.664362|2.590622|0.068983|2.991418|3.680424|4.961535|5.659130|8.807167|17.720387|9.092952|5.700633|5.714008|0.108483|3.397626|2.186630|3.606951|3.714799|0.036196|0.033571|0.034206|0.038261|0.043069|0.037585|0.040886|0.039799|0.045563|0.054761|0.044769|0.074870|0.068412|0.069579|0.085007|0.075268|0.124091|0.215632|0.500000| |1.395931|1.499344|1.534166|1.628845|1.692124|1.645714|1.550383|1.668086|2.417014|2.035444|0.059932|2.684461|2.339358|0.046234|0.045930|2.240136|15.662863|2.632424|3.004321|5.973873|3.858681|2.813686|0.078479|3.228006|4.289077|5.502638|4.823802|5.526046|8.947787|17.752165|8.753622|9.237899|0.192624|4.541406|2.307135|3.732800|3.942219|0.040173|0.036796|0.037185|0.041056|0.045483|0.041729|0.044391|0.044172|0.050856|0.056691|0.046056|0.077930|0.068382|0.070574|0.085613|0.082373|0.105363|0.123203|0.216866|0.500000| |1.661471|1.830983|1.821445|1.970016|2.177539|2.197225|1.997678|2.386436|3.185995|2.731152|0.087069|3.568211|3.051652|0.062538|0.057920|2.837847|18.736145|3.045137|4.005849|8.301592|5.663497|5.223789|0.164443|6.509668|8.877248|6.216507|4.293516|3.556813|3.593394|4.372060|6.296742|12.331083|0.203480|17.555277|3.997355|5.751402|7.244553|0.047483|0.044397|0.043047|0.047009|0.053263|0.054534|0.063266|0.063209|0.076722|0.079900|0.055920|0.081072|0.077683|0.096639|0.137267|0.192026|0.107715|0.083054|0.083992|0.110049|0.500000| |1.906401|2.136061|2.145992|2.350771|2.608810|2.594203|2.329433|2.764680|3.827555|3.419750|0.111998|4.278366|3.526722|0.070949|0.065874|3.313940|24.198865|4.032666|5.795780|14.072465|7.383964|6.321579|0.220754|6.468601|8.925902|6.273162|4.322959|3.583506|3.625528|4.419125|6.371583|12.387347|0.207464|17.600745|4.322471|6.410962|7.136352|0.054710|0.050218|0.049187|0.055009|0.063538|0.062552|0.071842|0.071627|0.090833|0.094391|0.065651|0.107155|0.097400|0.117616|0.135192|0.161041|0.108182|0.083565|0.084660|0.111138|0.298310|0.500000| 1795.357685 -11095.164224 4265.698472 -213.435038 -5247.543106 3450.259660 -1797.283446 2.001073 40B547FFFFFFFFEC 44C57C3391EB6526 4446D289A26FF479 4249CA356A800000 37B16C2614EA0800 443D2E7442987774