Version2.0 2020-07-28T15:20:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 27-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCC[NH+](CCCC)CCCNC(=O)c1ccc2=[NH+][C@H](C(=O)[NH+]=c2c1)c3ccccc3NC(=O)C C63502487 RHF 6-31G(d) (6D,7F) CCCC[NH+](CCCC)CCCNC(=O)c1ccc2=[NH+][C@H](C(=O)[NH+]=c2c1)c3ccccc3NC(=O)C C01[X(C28H40N5O3)] 222 C1 620 CCCC[NH+](CCCC)CCCNC(=O)c1ccc2=[NH+][C@H](C(=O)[NH+]=c2c1)c1ccccc1NC(=O)C CCCC[NH+](CCCC)CCCNC(=O)c1ccc2=[NH+][C@H](C(=O)[NH+]=c2c1)c1ccccc1NC(=O)C CCCC[NH+](CCCC)CCCNC(=O)C1=CC2=[NH+]C(=O)[C@@H]([NH+]=C2C=C1)c3ccccc3NC(C)=O InChIKey=XYKAUQOZYRZXTR-SANMLTNESA-Q InChI=1S/C28H37N5O3/c1-4-6-16-33(17-7-5-2)18-10-15-29-27(35)21-13-14-24-25(19-21)32-28(36)26(31-24)22-11-8-9-12-23(22)30-20(3)34/h8-9,11-14,19,26H,4-7,10,15-18H2,1-3H3,(H,29,35)(H,30,34)/p+3/t26-/m0/s1 InChI=1/C28H37N5O3/c1-4-6-16-33(17-7-5-2)18-10-15-29-27(35)21-13-14-24-25(19-21)32-28(36)26(31-24)22-11-8-9-12-23(22)30-20(3)34/h8-9,11-14,19,26H,4-7,10,15-18H2,1-3H3,(H,29,35)(H,30,34)/p+3/t26-/m0/s1/fC28H40N5O3/h29-33H/q+3 CCCC[NH+](CCCC)CCCNC(=O)c1ccc2=[NH+][C@H](C(=O)[NH+]=c2c1)c3ccccc3NC(=O)C C01[X(C28H40N5O3)] 222 C01 620 CCCC[NH+](CCCC)CCCNC(=O)c1ccc2=[NH+][C@H](C(=O)[NH+]=c2c1)c1ccccc1NC(=O)C CCCC[NH](CCCC)CCCNC(=O)C1=[CH][C]2[NH]C(=O)[C@@H]([NH][C]2[CH]=C1)[C]1[CH][CH][CH][CH][C]1NC(=O)C CCCC[NH](CCCC)CCCNC(=O)C1=C[C]2NC(=O)[C@@H](N[C]2C=C1)[C]3[CH][CH][CH][CH][C]3NC(C)=O InChIKey=XYOYNWWAFFRHPQ-SANMLTNESA-N InChI=1S/C28H40N5O3/c1-4-6-16-33(17-7-5-2)18-10-15-29-27(35)21-13-14-24-25(19-21)32-28(36)26(31-24)22-11-8-9-12-23(22)30-20(3)34/h8-9,11-14,19,26,31,33H,4-7,10,15-18H2,1-3H3,(H,29,35)(H,30,34)(H,32,36)/t26-/m0/s1 InChI=1/C28H40N5O3/c1-4-6-16-33(17-7-5-2)18-10-15-29-27(35)21-13-14-24-25(19-21)32-28(36)26(31-24)22-11-8-9-12-23(22)30-20(3)34/h8-9,11-14,19,26,31,33H,4-7,10,15-18H2,1-3H3,(H,29,35)(H,30,34)(H,32,36)/t26-/m0/s1/f/h29-30,32H 3561.0076220449 -1579.568502 1-A 43236.1441 132 488 620 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.92398 -20.84793 -20.79207 -16.05442 -16.04052 -15.95713 -15.90326 -15.85582 -11.75619 -11.74987 -11.72808 -11.68123 -11.65369 -11.64799 -11.64442 -11.62743 -11.62019 -11.61256 -11.56450 -11.55992 -11.55961 -11.54238 -11.53807 -11.53170 -11.52147 -11.51261 -11.49112 -11.48665 -11.48456 -11.47128 -11.47042 -11.45570 -11.43779 -11.43439 -11.40200 -11.40093 -1.79812 -1.73565 -1.72130 -1.67874 -1.65913 -1.59426 -1.55280 -1.53368 -1.51504 -1.44787 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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 8161.9614 71342.1155 75455.1421 0.99999 -0.00099 -0.00414 0.00099 1.00000 -0.00055 0.00414 0.00054 0.99999 1 0.01061 0.00121 0.00115 0.22112 0.02530 0.02392 9.78 16.01 18.90 37.22 49.73 58.05 62.65 74.63 80.11 87.91 92.65 103.23 107.96 135.70 137.77 151.62 167.06 173.91 180.88 191.97 195.85 210.20 241.19 246.95 260.44 285.72 312.37 318.54 332.79 348.40 371.32 376.64 393.72 420.33 432.60 467.57 474.50 496.44 514.28 534.23 547.99 599.47 623.38 633.54 657.20 692.08 701.30 727.12 744.40 772.43 782.68 796.16 817.74 833.26 852.47 863.99 885.45 915.28 954.20 959.26 991.82 1010.44 1042.31 1076.60 1141.19 1143.68 1153.77 1158.57 1165.33 1180.00 1206.06 1231.27 1243.28 1244.59 1248.71 1281.54 1309.04 1317.17 1342.14 1361.12 1384.83 1403.64 1414.92 1417.31 1425.01 1441.14 1452.01 1457.72 1477.49 1481.41 1497.06 1504.98 1510.87 1525.14 1570.14 1570.91 1587.36 1603.91 1605.57 1615.59 1620.14 1621.21 1638.80 1653.89 1658.72 1660.02 1684.37 1704.85 1722.70 1745.85 1750.05 1758.15 1767.07 1840.95 1849.09 1866.43 1877.42 1882.63 1894.22 1902.17 1942.45 1947.35 1964.26 1967.64 1993.00 2006.67 2019.50 2041.76 2046.16 2048.06 2061.62 2064.04 2086.68 2093.64 2098.66 2102.37 2108.83 2116.24 2135.13 2137.87 2182.10 2193.95 2222.11 2225.87 2232.14 2242.79 2249.04 2255.09 2263.49 2264.64 2267.57 2279.86 2297.64 2301.24 2311.36 2334.84 2350.65 2350.93 2352.81 2354.08 2358.80 2361.85 2362.81 2363.26 2368.04 2372.35 2372.82 2383.74 2387.72 2389.06 2389.83 2441.97 2447.61 2551.81 2572.51 2589.87 2603.82 2631.45 2693.84 2803.53 2836.49 3114.71 4597.15 4598.49 4609.29 4619.19 4621.33 4624.07 4639.53 4647.15 4651.77 4654.67 4675.53 4686.89 4692.07 4710.07 4712.24 4715.34 4719.25 4720.57 4727.74 4738.65 4746.24 4746.97 4757.41 4771.73 4800.44 4801.53 4807.45 4818.27 4827.63 4868.14 4889.87 4895.90 4902.38 4914.43 4915.99 5303.45 5312.89 5328.43 5518.53 5573.86 0.709683 0.745202 0.746146 0.635157 -1578.858819 -1578.823300 -1578.822356 -1578.933345 3.722589D-04 MUNgauss RevisionA2.0 retrievium 28-Jul-2020 DUDE CCCC[NH+](CCCC)CCCNC(=O)c1ccc2=[NH+][C@H](C(=O)[NH+]=c2c1)c3ccccc3NC(=O)C C63502487 RHF 6-31G(d) (6D,10F) C1 494.313115 |X|Y|Z| 60.648435 36.253761 195.559507 75.477447 16 6 7 14 2 |36.858105| |12.465811|36.858105| |7.494873|12.413155|36.858105| |4.896061|7.546634|12.487439|36.858105| |3.757267|4.904352|7.533118|12.575748|53.358707| |3.815683|4.742364|7.491383|9.287815|25.708076|0.500000| |3.402042|4.184623|5.926807|7.594005|17.062876|0.258326|36.858105| |2.886346|3.312748|4.441454|4.989180|10.233606|0.208376|12.495569|36.858105| |2.561746|2.845097|3.563707|3.820981|6.668242|0.131962|7.553311|12.408947|36.858105| |2.216485|2.388615|2.902168|3.025158|5.108713|0.106111|4.898345|7.493084|12.468095|36.858105| |3.020835|3.813547|4.987725|7.600029|17.265275|0.258194|7.638986|5.920937|4.178958|3.392129|36.858105| |2.876356|3.532330|4.401553|5.902385|10.222960|0.205239|4.972300|4.396526|3.287408|2.859013|12.435818|36.858105| |2.365458|2.818790|3.290175|4.177104|6.705065|0.131250|3.840963|3.557323|2.841263|2.549142|7.607279|12.417212|36.858105| |2.181728|2.527587|2.857771|3.398720|5.146696|0.105643|3.047794|2.905410|2.392390|2.210973|4.970917|7.599242|12.980902|53.358707| |2.025908|2.287385|2.596755|2.967196|4.576108|0.097317|2.802186|2.791933|2.318439|2.202740|4.167841|5.880278|7.819073|19.328798|36.858105| |2.022236|2.265676|2.626318|2.971589|4.772387|0.103900|2.975294|3.083010|2.533562|2.446945|4.284488|5.767402|6.845921|11.536896|15.968310|73.516695| |1.817626|2.010404|2.217418|2.455887|3.644073|0.077371|2.295039|2.290571|1.960820|1.888989|3.144738|4.087733|4.977468|10.526345|12.424421|14.498274|36.858105| |1.805250|1.989467|2.139994|2.346610|3.351720|0.070544|2.104073|2.056062|1.777277|1.698032|2.831204|3.624291|4.247088|8.589131|7.190584|9.261246|12.855125|36.858105| |1.633436|1.772806|1.880511|2.026508|2.864794|0.060226|1.836065|1.804539|1.586496|1.529291|2.363318|2.893343|3.284038|5.982768|4.916790|7.089969|7.711168|14.297705|36.858105| |1.494271|1.606979|1.713387|1.833417|2.625728|0.055397|1.714677|1.714283|1.522555|1.488242|2.150535|2.567978|2.897544|5.043554|4.356953|6.733757|6.709721|7.932700|13.118510|36.858105| |1.371265|1.461849|1.544344|1.637756|2.327396|0.048956|1.538700|1.539984|1.384148|1.358980|1.881274|2.193689|2.434704|4.058456|3.378852|5.407638|4.639611|5.321964|7.918251|14.984359|53.358707| |1.351313|1.437390|1.504416|1.590222|2.234587|0.046842|1.476630|1.466887|1.321954|1.292434|1.796311|2.084441|2.295561|3.790128|3.054334|4.858169|4.038593|4.883688|7.356955|9.678417|25.674275|0.500000| |1.258577|1.333481|1.410938|1.489177|2.128571|0.044776|1.428097|1.444018|1.311559|1.300829|1.708771|1.952877|2.151010|3.468005|2.893703|4.821014|3.736453|3.901496|4.968823|7.662632|17.254869|0.249218|36.858105| |1.221520|1.299229|1.374531|1.460077|2.090821|0.043697|1.409450|1.423927|1.298434|1.287329|1.689637|1.916730|2.139285|3.424639|2.826351|4.698579|3.590417|3.692306|4.550260|6.575258|12.542284|0.202554|17.641070|0.500000| |1.284511|1.358587|1.452703|1.529738|2.214754|0.046954|1.491076|1.527470|1.385285|1.386609|1.774556|2.028302|2.219183|3.556244|3.070661|5.295275|3.928587|3.783256|4.457866|6.715371|10.624938|0.159537|12.583236|0.253575|36.858105| |1.231876|1.294159|1.384188|1.446533|2.096992|0.044596|1.423820|1.469170|1.341188|1.353136|1.662708|1.877759|2.022959|3.171114|2.717549|4.805613|3.314863|3.152055|3.572534|4.851539|7.394089|0.122979|7.839739|0.177894|16.471019|73.516695| |1.392832|1.486562|1.608357|1.711263|2.511401|0.053397|1.677906|1.726055|1.548162|1.547466|2.042389|2.373081|2.643679|4.338479|3.942604|6.832073|5.311793|4.653914|5.172420|7.973615|9.593131|0.142616|7.642431|0.188692|12.854512|15.021786|53.358707| |1.384124|1.475357|1.607785|1.709165|2.535909|0.054100|1.708277|1.779218|1.599907|1.614381|2.058269|2.368268|2.621893|4.203501|3.862402|7.029074|4.854436|4.038268|4.217103|5.723510|6.982030|0.112099|5.654269|0.147343|9.046170|13.886908|25.635083|0.500000| |1.506368|1.622561|1.758372|1.888789|2.767457|0.058775|1.817987|1.849426|1.637772|1.617079|2.282813|2.725602|3.100249|5.361932|5.036418|8.195003|7.931553|6.758140|7.495286|12.596688|10.852337|0.159402|6.582085|0.165827|7.757371|9.950724|20.238315|0.265741|36.858105| |1.651831|1.801457|1.985650|2.166236|3.239564|0.069072|2.099788|2.143596|1.865345|1.832631|2.736947|3.370464|3.955987|7.196190|7.820097|12.498721|14.216921|7.745220|6.577726|7.492474|7.050576|0.117489|4.406824|0.117139|5.024207|7.354156|10.812993|0.203085|13.245941|36.858105| |1.182250|1.241937|1.302754|1.361453|1.927778|0.040550|1.300228|1.312080|1.200011|1.191482|1.527225|1.725424|1.865845|2.947488|2.401740|4.037954|2.966036|3.158374|3.930391|5.187726|10.461447|0.206520|12.668483|0.246111|7.504531|11.462905|6.778211|0.114496|4.447927|3.331876|36.858105| |1.207448|1.260082|1.317587|1.364316|1.921476|0.040637|1.292109|1.302742|1.189352|1.180363|1.506975|1.706470|1.814295|2.859334|2.324434|3.923236|2.841674|3.068077|3.795857|4.728966|8.751300|0.183481|7.646764|0.155763|6.032823|10.021962|5.936393|0.102915|4.029236|3.122580|13.613903|36.858105| |1.137019|1.178783|1.224153|1.259216|1.761997|0.037207|1.191392|1.199322|1.101805|1.094220|1.369967|1.534828|1.615495|2.504961|2.003249|3.401868|2.374726|2.559805|3.063293|3.565553|6.099651|0.132788|5.051187|0.116049|4.289452|7.569218|4.537758|0.082126|3.123730|2.553589|7.876076|13.862658|36.858105| |1.057727|1.096922|1.136232|1.171216|1.637618|0.034405|1.114436|1.121365|1.036627|1.030497|1.274236|1.414144|1.494526|2.294076|1.817213|3.091934|2.124162|2.270380|2.674262|3.078471|5.205346|0.113384|4.456831|0.110151|3.741253|6.661466|4.007889|0.073677|2.744329|2.279847|6.872644|8.008059|13.700233|36.858105| |1.039757|1.083755|1.125573|1.168030|1.639728|0.034319|1.118555|1.126435|1.042944|1.037345|1.284736|1.422862|1.520336|2.334338|1.850324|3.143276|2.170324|2.300308|2.711578|3.185716|5.485591|0.117652|5.020995|0.131128|4.026469|7.056601|4.236242|0.077588|2.861259|2.353838|7.960737|6.929585|7.928038|13.822151|36.858105| |1.092684|1.145917|1.196977|1.250668|1.766374|0.036962|1.201036|1.211215|1.116686|1.110275|1.396222|1.556863|1.683376|2.614197|2.095250|3.542050|2.510001|2.647835|3.178940|3.931542|7.160243|0.148176|7.509857|0.199412|5.349318|8.892210|5.303908|0.094394|3.507844|2.777761|13.642935|7.874724|6.777063|7.874276|13.658793|36.858105| |1.056659|1.112359|1.163331|1.222692|1.732121|0.036056|1.183757|1.194423|1.105686|1.100120|1.376767|1.524533|1.664903|2.566916|2.045711|3.462643|2.422778|2.515344|2.952079|3.605689|6.229997|0.125627|6.329204|0.205236|4.778841|7.888749|5.030566|0.091356|3.325791|2.688595|7.634141|5.078412|4.511324|5.181555|7.963022|13.465409|53.358707| |1.054339|1.112628|1.170735|1.235157|1.764293|0.036710|1.211329|1.229796|1.140726|1.140305|1.408396|1.553728|1.707594|2.619679|2.107063|3.605499|2.478189|2.490783|2.848945|3.523264|5.774669|0.109939|5.970581|0.210590|5.075717|8.537538|5.439526|0.101401|3.461746|2.816228|5.956301|4.204444|3.662640|3.969144|5.330193|7.628816|18.840739|36.858105| |1.104499|1.167553|1.236773|1.306982|1.880964|0.039284|1.289234|1.316261|1.216227|1.219667|1.506654|1.671310|1.842870|2.845914|2.333591|4.024541|2.777532|2.722883|3.098002|3.986748|6.423126|0.115227|7.140878|0.256717|6.780370|11.339922|6.947298|0.129761|4.136522|3.270145|6.173301|4.364482|3.622925|3.698534|4.618523|6.574534|11.500106|15.818054|73.516695| |0.987245|1.041424|1.093392|1.154539|1.647676|0.034120|1.140192|1.157559|1.081949|1.083107|1.313468|1.431451|1.572242|2.372721|1.882029|3.237896|2.154135|2.150890|2.395238|2.831046|4.414492|0.085946|4.094425|0.137212|3.694934|6.384019|4.295663|0.082948|2.816565|2.404574|4.088939|3.188622|2.923202|3.222809|4.155810|5.060522|10.650557|12.659932|14.194824|36.858105| |17.560574|8.771982|6.786878|4.513724|4.948653|0.102603|3.474951|2.985284|2.710913|2.338895|2.883818|2.682956|2.223239|2.773514|1.910172|3.427962|1.712451|1.684562|1.529984|1.413123|1.770339|0.035508|1.202310|0.032471|1.232200|2.109654|1.817048|0.037033|1.434338|1.571806|1.130286|1.152341|1.086694|1.013520|0.997638|1.047636|1.382022|1.016269|1.893658|0.954383|0.500000| |17.552212|8.766944|6.786348|4.519715|4.950122|0.106667|3.222582|2.822092|2.474989|2.181373|2.957575|2.909009|2.380254|3.037093|2.095310|3.726959|1.889096|1.879155|1.701527|1.555670|1.940747|0.039011|1.306157|0.035035|1.336722|2.281822|1.972226|0.039976|1.567754|1.717194|1.228390|1.261453|1.187503|1.099544|1.076590|1.130570|1.481007|1.083779|2.022047|1.010695|0.301248|0.500000| |17.590872|8.820356|5.473741|4.071651|4.337593|0.088573|2.918875|2.504449|2.265149|1.982381|2.670309|2.569114|2.168722|2.753243|1.875711|3.300255|1.704805|1.711706|1.561754|1.427174|1.792946|0.036240|1.209284|0.032630|1.226911|2.091618|1.799177|0.036362|1.427423|1.551753|1.141573|1.167031|1.103723|1.029254|1.010742|1.058554|1.393314|1.018223|1.888733|0.955229|0.302311|0.302041|0.500000| |8.858276|17.537106|8.847799|6.936371|6.236337|0.117227|4.145331|3.213318|2.839060|2.354838|3.649386|3.264010|2.678909|3.235071|2.139639|3.761407|1.885301|1.865001|1.669478|1.518990|1.888519|0.037941|1.270605|0.034559|1.290745|2.186312|1.917826|0.038869|1.533135|1.697009|1.184391|1.196261|1.121219|1.048636|1.039469|1.098491|1.458055|1.073001|1.996533|1.009143|0.210964|0.172901|0.213515|0.500000| |8.852433|17.523013|8.836499|6.957152|6.236472|0.123267|3.736216|3.012136|2.571912|2.194367|3.800619|3.693925|2.965353|3.672982|2.407551|4.163191|2.126999|2.137813|1.898008|1.698806|2.097847|0.042272|1.393984|0.037674|1.411260|2.377812|2.101243|0.042279|1.697880|1.882581|1.297741|1.318599|1.231963|1.143949|1.128930|1.194423|1.574751|1.152698|2.147393|1.075859|0.172890|0.210539|0.213513|0.303471|0.500000| |6.882977|8.834160|17.502019|8.874743|9.382580|0.222286|5.206714|4.285024|3.376096|2.849308|4.805346|4.597945|3.366317|4.080308|2.770360|5.014015|2.365474|2.277611|1.994429|1.814700|2.216972|0.043977|1.483473|0.039897|1.534761|2.601686|2.318773|0.047312|1.866563|2.114011|1.368741|1.391918|1.290336|1.190706|1.175048|1.250173|1.644955|1.214608|2.288411|1.128307|0.169027|0.204138|0.140772|0.173565|0.211574|0.500000| |6.907781|8.860534|17.558998|8.806299|9.347499|0.191007|6.509596|4.920197|4.054436|3.225715|4.499713|3.831081|2.959262|3.498905|2.379475|4.347905|2.043452|1.954086|1.732777|1.599038|1.972811|0.039137|1.336466|0.036230|1.382291|2.355017|2.077357|0.042637|1.652606|1.858954|1.236972|1.249576|1.164174|1.083844|1.074658|1.140827|1.512488|1.121794|2.107117|1.051501|0.204871|0.169661|0.141121|0.212168|0.173766|0.302869|0.500000| |4.513523|6.820787|8.747555|17.616819|12.391931|0.183177|7.425283|4.691287|3.818175|2.965063|6.603364|4.902248|3.790804|4.186116|2.678438|4.745841|2.247116|2.157285|1.881890|1.710951|2.095049|0.041628|1.406666|0.038525|1.438535|2.420586|2.178736|0.044412|1.757455|1.999016|1.289488|1.286810|1.191733|1.114825|1.115195|1.192237|1.594305|1.184484|2.219812|1.113695|0.118892|0.110854|0.108398|0.205598|0.171030|0.172837|0.208443|0.500000| |4.551684|6.880406|8.854862|17.643462|12.314306|0.209828|5.614972|4.124820|3.233235|2.664435|7.532866|6.815362|4.720519|5.261926|3.258385|5.627393|2.687184|2.608286|2.224848|1.978105|2.389340|0.047496|1.578098|0.042925|1.610003|2.687215|2.456990|0.049670|2.016308|2.319378|1.438647|1.442306|1.327015|1.230910|1.227005|1.316625|1.748441|1.292697|2.429865|1.203647|0.111482|0.120260|0.109103|0.170806|0.208426|0.213576|0.173318|0.302339|0.500000| |3.893665|4.770729|6.875418|7.610066|12.335885|0.210690|17.670017|8.857185|6.894339|4.557472|5.656547|4.123430|3.251656|3.650077|2.480411|4.630554|2.081304|1.938499|1.710095|1.597054|1.965066|0.038678|1.342218|0.036717|1.396649|2.379348|2.118495|0.043895|1.678554|1.912012|1.231522|1.229431|1.139982|1.067265|1.067667|1.140379|1.526370|1.143259|2.154919|1.077680|0.114246|0.099761|0.091128|0.133753|0.112036|0.156502|0.241282|0.216462|0.149025|0.500000| |3.057769|3.774218|4.894989|6.572614|12.365488|0.183219|17.614515|8.739254|6.805795|4.507011|7.475855|4.693692|3.857549|4.090781|2.719428|5.063636|2.234851|2.055442|1.797184|1.678393|2.054690|0.040300|1.402791|0.038694|1.457016|2.467063|2.228923|0.046230|1.774501|2.044519|1.275822|1.260723|1.162870|1.092626|1.101226|1.183723|1.596523|1.202281|2.269075|1.136835|0.086148|0.079464|0.074876|0.108095|0.095749|0.118020|0.143569|0.203927|0.144133|0.302573|0.500000| |2.582727|2.963716|3.849117|4.478749|9.299282|0.190267|8.797120|17.535035|8.852499|6.900983|6.460566|4.840852|4.030508|4.389236|3.131129|6.299410|2.513543|2.208932|1.923720|1.836122|2.230498|0.043085|1.537950|0.042247|1.635923|2.789842|2.544161|0.053831|2.006684|2.360779|1.385766|1.368266|1.252380|1.170609|1.180555|1.276637|1.718695|1.306863|2.498807|1.228673|0.072844|0.070887|0.063167|0.079633|0.077080|0.105652|0.112275|0.116429|0.108720|0.173220|0.208298|0.500000| |3.051009|3.408438|4.665224|4.823522|9.389022|0.223348|8.881622|17.507531|8.840756|6.887339|5.209445|4.240540|3.362418|3.864877|2.781307|5.509086|2.301077|2.067916|1.819578|1.731258|2.117233|0.041136|1.458497|0.039695|1.550147|2.660982|2.380427|0.050142|1.869559|2.161045|1.329060|1.328127|1.223648|1.139341|1.139199|1.222351|1.631496|1.231251|2.346579|1.154197|0.088164|0.084691|0.072503|0.089158|0.085539|0.131736|0.145845|0.119921|0.111839|0.213526|0.172803|0.302480|0.500000| |2.750896|3.008897|3.738313|3.822745|6.243622|0.123782|6.971255|8.843751|17.538935|8.859753|3.741763|2.998667|2.573789|2.994135|2.122580|4.068238|1.819532|1.671624|1.500977|1.436340|1.785785|0.034969|1.242447|0.034097|1.306659|2.252692|1.972219|0.041413|1.531245|1.727143|1.143874|1.138328|1.059324|0.997101|1.000163|1.066177|1.433596|1.082209|2.043674|1.027165|0.082820|0.072971|0.067250|0.084185|0.073927|0.096596|0.123571|0.107538|0.088378|0.209159|0.170759|0.173764|0.211979|0.500000| |2.395238|2.692454|3.280833|3.647890|6.221928|0.117240|6.938662|8.842795|17.534115|8.854273|4.134322|3.190422|2.838844|3.218776|2.265958|4.355857|1.918976|1.743438|1.557772|1.494365|1.851969|0.036140|1.290257|0.035667|1.356517|2.328737|2.061848|0.043406|1.603566|1.823683|1.179271|1.163184|1.077719|1.017767|1.027681|1.101474|1.491426|1.132234|2.141358|1.078352|0.069812|0.063632|0.059655|0.076113|0.068320|0.084852|0.101245|0.105122|0.086884|0.171175|0.204966|0.211928|0.173599|0.303547|0.500000| |2.055772|2.190639|2.590644|2.675272|4.334514|0.088687|4.074096|5.473377|8.823264|17.592345|2.912033|2.484790|2.256425|2.694195|1.968510|3.842399|1.713490|1.553324|1.410719|1.377162|1.723309|0.033538|1.217524|0.033544|1.293821|2.251004|1.950351|0.041480|1.489327|1.670091|1.120514|1.109242|1.032582|0.976247|0.983437|1.049383|1.418411|1.080301|2.047195|1.031000|0.060628|0.055876|0.051621|0.060670|0.055918|0.070042|0.080053|0.074132|0.065965|0.109273|0.108254|0.141030|0.140858|0.213635|0.213513|0.500000| |2.061550|2.237114|2.700730|2.881020|4.937233|0.102538|4.512407|6.782645|8.768196|17.549390|3.456631|2.949771|2.690715|3.171073|2.345844|4.699440|1.999525|1.773969|1.594145|1.560742|1.934452|0.037363|1.364654|0.037618|1.462306|2.536208|2.236420|0.047915|1.713197|1.955049|1.242853|1.225431|1.131492|1.066093|1.076952|1.157504|1.565859|1.198554|2.288003|1.138699|0.059543|0.056688|0.051542|0.061071|0.057998|0.074372|0.081093|0.078050|0.071930|0.111537|0.118686|0.204608|0.169044|0.172920|0.210705|0.302189|0.500000| |2.277910|2.411021|2.942130|2.966254|4.949259|0.106887|4.522735|6.784640|8.770478|17.555347|3.215986|2.795409|2.460423|2.954206|2.186697|4.341272|1.886940|1.697950|1.532997|1.494477|1.858805|0.036063|1.308002|0.035774|1.399877|2.437997|2.122399|0.045252|1.625140|1.836571|1.201282|1.196225|1.110079|1.042212|1.045146|1.116412|1.498788|1.139202|2.169011|1.078432|0.067102|0.063063|0.056260|0.065060|0.061352|0.081991|0.091412|0.079051|0.072792|0.120408|0.110753|0.169454|0.204257|0.210882|0.172891|0.302235|0.301033|0.500000| |2.667636|3.234600|4.135575|5.622420|12.393991|0.211420|7.612084|6.851304|4.742563|3.870677|17.650387|8.854140|6.983559|6.334175|4.111199|7.879234|3.090331|2.708819|2.280615|2.116317|2.525579|0.048870|1.704696|0.047037|1.786665|2.988195|2.814425|0.058556|2.287846|2.760205|1.517809|1.489250|1.351946|1.261249|1.276909|1.391350|1.876816|1.421594|2.714527|1.330233|0.072194|0.072795|0.065991|0.087054|0.088085|0.111871|0.109546|0.144478|0.148036|0.149263|0.216037|0.239039|0.156576|0.111704|0.132589|0.090622|0.113336|0.099370|0.500000| |2.955361|3.800590|4.678273|7.396033|12.450052|0.182938|6.651814|4.918549|3.790445|3.062836|17.607601|8.737297|6.885927|6.247510|3.730419|6.558475|2.912781|2.690371|2.266928|2.051799|2.460982|0.048297|1.641264|0.045345|1.685030|2.800388|2.615956|0.053448|2.146342|2.532798|1.472425|1.447929|1.321210|1.235302|1.248598|1.354500|1.825817|1.369375|2.587819|1.283842|0.078033|0.078669|0.073855|0.104949|0.106513|0.119203|0.116811|0.204773|0.212019|0.145927|0.207610|0.143590|0.118489|0.096350|0.108511|0.075018|0.086100|0.079602|0.302621|0.500000| |3.165764|3.976704|4.811999|6.417524|9.235618|0.185945|4.455999|3.809766|2.942689|2.560254|8.756616|17.573661|8.855693|9.425012|5.242568|8.603022|3.920084|3.692495|2.951859|2.556818|2.983810|0.058546|1.929544|0.052326|1.978733|3.249688|3.108676|0.062485|2.636153|3.179069|1.719222|1.713721|1.547432|1.421919|1.422923|1.549289|2.052847|1.522497|2.893219|1.399735|0.079830|0.089402|0.078738|0.099953|0.120801|0.141379|0.110524|0.143125|0.237029|0.108496|0.116423|0.110681|0.104405|0.076739|0.079157|0.062721|0.072076|0.070231|0.173018|0.208072|0.500000| |2.823979|3.348745|4.244045|5.184692|9.314213|0.217948|4.767489|4.573777|3.357371|3.001105|8.842278|17.560012|8.866796|9.465590|6.322685|12.199425|4.310594|3.682769|2.946325|2.656909|3.074023|0.059079|2.019851|0.054597|2.132954|3.529719|3.428048|0.070529|2.881150|3.618462|1.780738|1.771146|1.587585|1.453789|1.457354|1.595825|2.114801|1.587095|3.056796|1.454092|0.073810|0.081079|0.069489|0.084420|0.095700|0.129760|0.104900|0.117924|0.156013|0.110901|0.119138|0.142121|0.128923|0.084554|0.087975|0.071504|0.086543|0.083262|0.213337|0.172647|0.301751|0.500000| |2.183347|2.560126|3.006003|3.741526|6.280833|0.123416|3.844861|3.732782|3.003372|2.734421|7.015708|8.811198|17.609647|12.477778|7.349468|13.094496|4.727640|3.841637|3.058053|2.802086|3.226367|0.061454|2.135129|0.059443|2.233379|3.639738|3.654892|0.075338|3.094634|3.995149|1.842834|1.777584|1.581391|1.469818|1.503673|1.670379|2.265924|1.727183|3.333480|1.598242|0.057895|0.060878|0.055602|0.068242|0.073234|0.084960|0.077312|0.096340|0.111287|0.088881|0.108692|0.122877|0.096238|0.073942|0.084140|0.066916|0.082075|0.072469|0.212339|0.172777|0.173587|0.211473|0.500000| |2.327954|2.805084|3.181730|4.115245|6.221797|0.116294|3.653739|3.266764|2.683724|2.380684|6.898324|8.804694|17.614254|12.613161|5.849338|8.964440|4.265963|3.889143|3.087497|2.702731|3.139790|0.061181|2.038818|0.056795|2.067553|3.348612|3.291584|0.066059|2.814060|3.449873|1.782465|1.726954|1.547734|1.442070|1.471111|1.623348|2.197904|1.650337|3.135485|1.531247|0.060586|0.064160|0.059960|0.075494|0.082726|0.087911|0.079274|0.108021|0.131439|0.087197|0.105768|0.100352|0.084405|0.068270|0.075921|0.059360|0.069203|0.063225|0.170695|0.204788|0.212751|0.173636|0.302505|0.500000| |2.094141|2.420225|2.660562|3.138749|4.554188|0.092022|2.742269|2.578912|2.169249|2.003738|4.259125|5.948224|9.031162|26.051928|9.376931|10.868069|7.298878|7.023157|4.814273|3.867373|4.239782|0.082020|2.610951|0.072081|2.604563|4.086894|4.251359|0.082272|3.898712|4.952831|2.221329|2.144608|1.879317|1.726297|1.761528|1.975241|2.645779|1.967706|3.765609|1.782266|0.054061|0.059256|0.054587|0.063697|0.072647|0.076711|0.066317|0.080331|0.100312|0.068167|0.076046|0.078129|0.069828|0.055992|0.060008|0.050398|0.058266|0.054545|0.109537|0.115182|0.165081|0.146877|0.188965|0.237731|0.500000| |1.945876|2.167125|2.312856|2.555746|3.579686|0.074821|2.207463|2.115231|1.816886|1.713271|3.032594|3.960571|4.593718|9.405360|6.687443|8.554340|8.636117|17.743367|9.178250|5.637743|5.800936|0.114436|3.256433|0.086444|3.132188|4.778745|5.021385|0.091760|4.896821|5.596151|2.754219|2.715524|2.329292|2.083138|2.095039|2.362522|3.064362|2.213839|4.228981|1.945714|0.049949|0.056202|0.051344|0.056268|0.065625|0.068293|0.057877|0.065017|0.080592|0.056639|0.059951|0.062595|0.058966|0.047695|0.049557|0.043504|0.049357|0.047505|0.078612|0.080894|0.116880|0.108494|0.109675|0.119595|0.233503|0.500000| |1.602954|1.731959|1.810501|1.937434|2.692033|0.056326|1.729781|1.685741|1.491187|1.432470|2.194197|2.645910|2.945383|5.162471|4.002889|5.912512|5.506445|9.023516|17.732569|8.733743|9.673598|0.217204|4.555220|0.116114|3.892889|5.697342|5.696765|0.097090|5.420826|4.798115|3.862183|3.815879|3.150864|2.753229|2.760470|3.172261|3.963710|2.730699|5.130569|2.313108|0.041557|0.046363|0.042896|0.045385|0.051816|0.053158|0.046251|0.050217|0.059268|0.045125|0.047122|0.049447|0.047213|0.039452|0.040728|0.036874|0.041223|0.039892|0.058341|0.059115|0.076361|0.073913|0.075531|0.078697|0.117478|0.218319|0.500000| |1.636463|1.782520|1.987151|2.168959|3.309495|0.070881|2.173192|2.262923|1.970915|1.959705|2.797633|3.379221|3.930957|6.688898|7.326241|14.100569|9.051732|5.530933|4.798679|5.413415|5.693943|0.097152|3.843871|0.103886|4.581956|7.083116|9.678807|0.215014|8.750681|17.734526|2.993643|2.809331|2.340593|2.113101|2.185810|2.553957|3.405951|2.674033|5.563929|2.322131|0.043577|0.047173|0.042501|0.046732|0.051208|0.058705|0.052169|0.055652|0.063603|0.054601|0.058674|0.070155|0.063363|0.050252|0.053426|0.049422|0.058731|0.054557|0.080225|0.071065|0.086059|0.102754|0.115506|0.093701|0.122354|0.123080|0.104913|0.500000| |1.286109|1.341858|1.407723|1.454343|2.050961|0.043622|1.370475|1.382827|1.254622|1.244033|1.606366|1.836711|1.941227|3.088804|2.540570|4.286145|3.147822|3.414960|4.255531|5.320979|9.347561|0.187920|7.123966|0.142157|6.288845|10.277063|6.489254|0.111288|4.501240|3.459524|8.863371|17.671854|9.002718|5.680864|4.978221|5.612698|5.593071|3.621402|6.924698|2.822735|0.034019|0.037496|0.034430|0.035207|0.039067|0.041564|0.036982|0.037876|0.042804|0.036192|0.036967|0.040351|0.039336|0.033343|0.033951|0.032350|0.035853|0.035133|0.043967|0.042620|0.051358|0.053358|0.052579|0.050895|0.063980|0.083159|0.117153|0.085429|0.500000| |1.146360|1.182130|1.224085|1.250817|1.743416|0.036918|1.178176|1.185243|1.088869|1.081125|1.345862|1.506288|1.568583|2.420646|1.928293|3.286271|2.258701|2.438774|2.872513|3.234483|5.274098|0.114619|4.121740|0.096271|3.698872|6.616955|4.094149|0.075249|2.862482|2.398086|5.616215|8.940036|17.751144|8.874230|5.640741|4.904747|4.896459|3.045268|5.415462|2.514424|0.030415|0.033368|0.030949|0.031159|0.034328|0.035940|0.032337|0.032823|0.036591|0.031426|0.031842|0.034241|0.033718|0.029169|0.029504|0.028344|0.030950|0.030561|0.036781|0.036003|0.042372|0.043387|0.042493|0.041699|0.050283|0.062413|0.082614|0.061341|0.216914|0.500000| |1.012592|1.045926|1.079231|1.108078|1.543831|0.032409|1.054118|1.059805|0.983368|0.977921|1.195028|1.318227|1.384682|2.106673|1.656041|2.827668|1.906738|2.033138|2.353969|2.639803|4.309633|0.093800|3.561967|0.090319|3.105471|5.594839|3.447453|0.064423|2.382632|2.026123|4.953676|5.676640|8.895828|17.739685|8.973036|5.628781|5.742560|3.365862|5.553970|2.870110|0.026983|0.029228|0.027440|0.027809|0.030266|0.031372|0.028649|0.029356|0.032280|0.028136|0.028711|0.030626|0.029926|0.026347|0.026819|0.025799|0.028033|0.027491|0.032832|0.032241|0.036890|0.037587|0.037808|0.037224|0.043995|0.052469|0.067650|0.052583|0.124684|0.213611|0.500000| 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