Version2.0 2020-01-27T02:33:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@@H](c1ccccc1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H](C)c4[nH]c5cc(ccc5n4)C C39695802 RHF 6-31G(d) (6D,7F) CC[C@@H](c1ccccc1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H](C)c4[nH]c5cc(ccc5n4)C C01[X(C29H38N5O2)] 216 C1 616 CC[C@H](C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H](c1nc2c([nH]1)cc(cc2)C)C)c1ccccc1 CC[C@H](C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H](c1nc2c([nH]1)cc(cc2)C)C)c1ccccc1 CC[C@H](C(=O)N1C[C@@H](C(=O)N[C@@H](C)c2[nH]c3cc(C)ccc3n2)C4(CC[NH2+]CC4)C1)c5ccccc5 InChIKey=NRPURPHHFWMRIU-PMVMPFDFSA-O InChI=1S/C29H37N5O2/c1-4-22(21-8-6-5-7-9-21)28(36)34-17-23(29(18-34)12-14-30-15-13-29)27(35)31-20(3)26-32-24-11-10-19(2)16-25(24)33-26/h5-11,16,20,22-23,30H,4,12-15,17-18H2,1-3H3,(H,31,35)(H,32,33)/p+1/t20-,22-,23-/m0/s1 InChI=1/C29H37N5O2/c1-4-22(21-8-6-5-7-9-21)28(36)34-17-23(29(18-34)12-14-30-15-13-29)27(35)31-20(3)26-32-24-11-10-19(2)16-25(24)33-26/h5-11,16,20,22-23,30H,4,12-15,17-18H2,1-3H3,(H,31,35)(H,32,33)/p+1/t20-,22-,23-/m0/s1/fC29H38N5O2/h30-31,33H/q+1 CC[C@@H](c1ccccc1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H](C)c4[nH]c5cc(ccc5n4)C C01[X(C29H38N5O2)] 216 C01 616 CC[C@H](C(=O)N1C[C@H](C2(C1)CC[NH2+]CC2)C(=O)N[C@H](c1nc2c([nH]1)cc(cc2)C)C)c1ccccc1 CC[C@H](C(=O)N1C[C@H](C2(C1)CC[NH2]CC2)C(=O)N[C@H](c1nc2c([nH]1)cc(cc2)C)C)c1ccccc1 CC[C@H](C(=O)N1C[C@@H](C(=O)N[C@@H](C)c2[nH]c3cc(C)ccc3n2)C4(CC[NH2]CC4)C1)c5ccccc5 InChIKey=WEKJYDHOVUPLRQ-PMVMPFDFSA-N InChI=1S/C29H38N5O2/c1-4-22(21-8-6-5-7-9-21)28(36)34-17-23(29(18-34)12-14-30-15-13-29)27(35)31-20(3)26-32-24-11-10-19(2)16-25(24)33-26/h5-11,16,20,22-23H,4,12-15,17-18,30H2,1-3H3,(H,31,35)(H,32,33)/t20-,22-,23-/m0/s1 InChI=1/C29H38N5O2/c1-4-22(21-8-6-5-7-9-21)28(36)34-17-23(29(18-34)12-14-30-15-13-29)27(35)31-20(3)26-32-24-11-10-19(2)16-25(24)33-26/h5-11,16,20,22-23H,4,12-15,17-18,30H2,1-3H3,(H,31,35)(H,32,33)/t20-,22-,23-/m0/s1/f/h31,33H 3914.1827560179 -1542.1497858 1-A 22320.6333 131 485 616 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.62246 -20.60246 -15.86218 -15.68794 -15.67565 -15.67546 -15.62099 -11.45005 -11.44752 -11.44749 -11.42427 -11.38704 -11.38209 -11.38152 -11.37301 -11.37236 -11.36869 -11.36138 -11.36109 -11.33208 -11.31652 -11.31099 -11.30887 -11.30150 -11.29872 -11.29653 -11.29414 -11.29289 -11.29157 -11.29154 -11.29126 -11.29064 -11.28489 -11.28059 -11.27232 -11.26817 -1.49675 -1.49184 -1.47421 -1.42764 -1.35798 -1.33520 -1.25312 -1.25198 -1.22434 -1.21089 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1669.8637 1674.5393 1676.6359 1693.3575 1716.4693 1765.2177 1780.4396 1782.9870 1808.1797 1827.5413 1837.9182 1921.3456 1925.0284 3193.5606 3201.2358 3206.7961 3207.0659 3216.7431 3220.0271 3220.7283 3229.4108 3248.0620 3248.8995 3258.8407 3261.2644 3263.8470 3279.7122 3282.5499 3284.1217 3285.0248 3287.4835 3290.8023 3293.2034 3297.9562 3308.0254 3311.5139 3335.6533 3338.9973 3346.8496 3349.1266 3360.8431 3363.9558 3369.8406 3374.7561 3385.5908 3390.2366 3393.8057 3667.4769 3731.2809 3835.6029 3907.2048 5.6710 4.5587 4.5444 4.3201 4.9241 5.3401 4.9448 3.8735 1.1200 3.0739 3.2678 3.2248 4.1132 3.7598 4.1188 3.4074 3.5808 3.0943 4.1793 3.6237 3.5200 3.4070 3.3515 2.9907 2.3910 2.4731 1.4531 1.4444 2.1594 4.1158 4.2101 4.6513 3.8694 2.6849 3.2385 3.9634 3.6373 2.5315 3.4705 3.2463 2.9349 1.2614 2.9626 3.1270 3.1860 3.2445 3.3498 4.5350 3.9598 2.5476 3.3209 2.7706 1.3502 4.9081 3.2423 6.2825 2.6077 4.6032 5.2476 2.2120 4.1720 3.3741 4.6934 1.5004 4.4841 4.2376 3.5877 2.2044 1.7147 3.1982 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73 74 6 6 6 1 6 6 6 6 6 6 6 8 7 6 6 1 6 6 6 6 7 1 1 6 6 6 8 7 6 1 6 6 7 1 6 6 6 6 6 6 7 6 1 1 1 1 1 1 1 1 1 1 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 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 1.00783 1.00783 1.00783 1.00783 13883.0766 28468.5936 37065.7253 0.99991 -0.01265 -0.00463 0.01260 0.99987 -0.00999 0.00475 0.00993 0.99994 1 0.00624 0.00304 0.00234 0.13000 0.06339 0.04869 7.41 21.78 27.68 41.42 52.61 59.32 71.88 85.15 99.07 106.11 114.40 134.00 144.09 167.55 181.29 190.78 226.40 241.49 264.68 271.20 285.67 314.18 326.77 346.86 368.05 378.63 390.84 400.65 408.50 433.69 451.99 460.71 475.07 514.98 534.69 544.06 572.32 620.92 629.85 651.45 659.57 670.77 693.22 697.69 726.78 743.67 764.80 803.23 817.18 824.19 865.31 910.38 922.29 927.67 960.14 975.81 996.50 1050.71 1123.00 1126.03 1133.28 1162.54 1179.79 1188.10 1197.00 1218.92 1223.37 1233.42 1253.85 1263.88 1284.59 1325.32 1327.15 1332.11 1352.48 1361.32 1371.73 1389.89 1401.17 1415.65 1430.10 1436.83 1474.75 1479.30 1512.15 1522.42 1552.70 1563.15 1567.13 1567.26 1573.06 1590.13 1598.31 1599.01 1601.77 1620.15 1631.05 1634.38 1638.76 1642.36 1686.66 1693.14 1705.34 1711.80 1722.93 1735.04 1741.53 1764.54 1772.86 1781.98 1795.41 1801.16 1806.68 1853.19 1866.51 1882.61 1887.17 1906.67 1920.48 1923.54 1937.43 1942.62 1953.85 1973.59 1985.85 2000.43 2010.04 2027.69 2040.58 2048.60 2060.59 2085.50 2093.72 2100.11 2110.63 2137.84 2156.08 2161.88 2168.09 2172.20 2185.17 2216.77 2222.00 2239.62 2244.61 2247.73 2255.94 2256.14 2257.87 2267.92 2276.72 2286.96 2328.56 2334.61 2344.68 2345.09 2348.97 2350.28 2360.39 2363.67 2365.49 2365.60 2368.51 2376.12 2386.91 2402.56 2409.29 2412.31 2436.36 2469.62 2539.75 2561.66 2565.32 2601.57 2629.42 2644.35 2764.39 2769.69 4594.82 4605.86 4613.86 4614.25 4628.18 4632.90 4633.91 4646.40 4673.24 4674.44 4688.74 4692.23 4695.95 4718.77 4722.86 4725.12 4726.42 4729.96 4734.73 4738.19 4745.02 4759.51 4764.53 4799.26 4804.07 4815.37 4818.65 4835.50 4839.98 4848.45 4855.52 4871.11 4877.79 4882.93 5276.68 5368.48 5518.58 5621.60 0.691078 0.722932 0.723877 0.623015 -1541.458708 -1541.426853 -1541.425909 -1541.526771 3.382928D-04 MUNgauss RevisionA2.0 retrievium 27-Jan-2020 DUDE CC[C@@H](c1ccccc1)C(=O)N2C[C@H](C3(C2)CC[NH2+]CC3)C(=O)N[C@@H](C)c4[nH]c5cc(ccc5n4)C C39695802 RHF 6-31G(d) (6D,10F) C1 488.302551 |X|Y|Z| 119.355827 79.900193 41.116303 73.192824 30 6 7 25 5 |36.858105| |12.472015|36.858105| |7.433898|12.359818|36.858105| |6.948231|8.901670|17.550265|0.500000| |6.106666|7.439067|12.469825|0.248882|36.858105| |5.309453|5.389536|7.517722|0.205175|13.705922|36.858105| |4.099072|4.040240|4.992499|0.133549|7.886849|13.736116|36.858105| |3.648617|3.728003|4.409467|0.111082|6.821080|7.938221|13.766487|36.858105| |3.879418|4.241585|4.992623|0.116711|7.900351|6.897644|7.957962|13.739378|36.858105| |4.851963|5.888002|7.497596|0.155743|13.679775|7.961565|6.879700|7.924367|13.762300|36.858105| |4.899356|7.589473|12.481130|0.247740|7.630756|5.231928|3.980238|3.765733|4.422702|6.368727|36.858105| |4.420369|6.814128|7.961020|0.165847|5.874998|4.187366|3.412772|3.394394|4.127541|5.773530|15.839893|73.516695| |3.844661|5.129600|7.683635|0.204171|5.893160|4.698912|3.699340|3.439335|3.834322|4.977231|13.972947|15.242104|53.358707| |3.578913|4.331212|6.406110|0.202531|5.526799|5.067055|3.965904|3.488557|3.629111|4.410052|7.540207|9.423022|17.820523|36.858105| |2.777798|3.252761|4.275815|0.127373|3.947931|3.740998|3.205050|2.934659|3.031835|3.470367|5.146607|7.459132|10.941862|12.297898|36.858105| |2.587599|2.934952|3.715570|0.114432|3.427997|3.376734|2.929530|2.644758|2.669099|2.992210|4.197125|6.223928|8.016111|8.755797|17.568424|0.500000| |2.642135|3.181455|3.971460|0.112879|3.503810|3.157500|2.730850|2.588278|2.768810|3.213911|5.240936|8.216815|11.065207|7.815894|12.273756|0.241878|36.858105| |3.044862|3.891853|4.990176|0.131373|4.257033|3.557803|3.016588|2.921706|3.273726|3.997827|7.860223|12.660095|17.883488|7.871748|7.933935|0.158635|12.390915|36.858105| |2.600623|3.084176|3.659630|0.107904|3.090516|2.825225|2.426225|2.268666|2.398518|2.779846|4.574046|7.298753|8.561420|6.188171|7.590333|0.204733|12.309580|7.511086|36.858105| |2.355314|2.788555|3.124420|0.088991|2.655574|2.401270|2.100793|2.005577|2.145913|2.467820|3.897423|6.747563|6.505277|4.305775|4.883664|0.130363|7.412029|6.023994|12.501107|36.858105| |2.035113|2.368623|2.646297|0.074268|2.351176|2.151555|1.930589|1.870222|1.996319|2.242478|3.241250|5.717027|5.317341|3.619864|4.363477|0.116850|6.441953|5.100270|7.680819|12.647763|53.358707| |1.916440|2.218612|2.420841|0.067354|2.157565|1.971399|1.781260|1.738023|1.860997|2.080139|2.928614|5.294301|4.605132|3.094493|3.567664|0.095683|4.906688|4.281719|5.673566|9.170393|25.686410|0.500000| |1.916179|2.191251|2.451166|0.069778|2.204360|2.054870|1.855885|1.786620|1.881723|2.089108|2.914356|5.042161|4.779680|3.424186|4.235336|0.119276|5.761007|4.345013|7.009627|9.197890|25.677862|0.328331|0.500000| |2.048425|2.404721|2.744069|0.075436|2.504028|2.273541|2.060871|2.025504|2.183125|2.439526|3.439026|6.114735|5.744126|3.839746|4.828819|0.121269|7.479404|6.025016|6.512675|7.585832|17.193091|0.254284|0.255671|36.858105| |2.198856|2.579060|3.074343|0.085711|2.847806|2.615547|2.358719|2.290342|2.441497|2.728013|3.856484|6.479365|6.965851|4.976098|7.341657|0.173847|12.385298|7.409811|7.617266|6.479778|10.449863|0.157514|0.195567|12.514854|36.858105| |2.517726|2.885994|3.733696|0.106653|3.791321|3.696027|3.358340|3.154437|3.215126|3.504930|4.314355|6.533071|7.993577|7.601061|12.460916|0.247584|7.354664|6.040470|4.907408|3.718845|4.926263|0.085148|0.098595|4.272344|6.408181|36.858105| |2.428270|2.816188|3.581549|0.097631|3.727514|3.509735|3.274712|3.226861|3.397023|3.658495|4.268249|6.766031|7.510376|5.987500|7.939683|0.164697|6.553289|6.191277|4.322256|3.520329|4.820827|0.084803|0.094159|4.436410|6.434231|15.790587|73.516695| |2.344558|2.589204|3.271231|0.095740|3.416399|3.548382|3.337109|3.065859|2.981521|3.127596|3.517589|5.369600|6.026344|5.883436|7.896171|0.212336|5.101930|4.298653|3.966305|3.098120|4.126783|0.072835|0.085045|3.417043|4.699190|14.234667|15.111554|53.358707| |2.133128|2.312632|2.843376|0.081342|3.098551|3.285801|3.289858|3.108212|2.951410|2.947250|2.981661|4.687639|4.782573|4.270514|5.025526|0.134197|3.801174|3.439855|3.074008|2.545430|3.460432|0.062657|0.071175|2.879703|3.715485|7.783196|12.115638|17.851829|36.858105| |2.233486|2.435884|3.018147|0.084351|3.411848|3.599345|3.702360|3.599654|3.417778|3.334618|3.161792|4.991271|4.962799|4.273832|4.728177|0.119353|3.692378|3.538037|2.940701|2.469481|3.340252|0.060960|0.067510|2.814109|3.569395|7.309787|13.123909|12.545820|17.574419|0.500000| |1.845124|1.999981|2.383512|0.067443|2.539430|2.622413|2.633652|2.561917|2.486408|2.476112|2.544972|4.129711|4.033127|3.403359|4.134111|0.112596|3.432171|3.055806|2.820762|2.416921|3.413182|0.062284|0.071123|2.879674|3.642494|5.902836|10.256194|10.483109|12.431018|0.246789|36.858105| |2.078601|2.188387|2.647347|0.077239|2.905506|3.232329|3.313135|3.028560|2.757497|2.709618|2.655723|4.163170|4.125568|3.720880|4.065376|0.114846|3.126843|2.863575|2.686006|2.243955|3.003610|0.055026|0.062240|2.410394|2.982488|5.264005|8.089883|10.912253|12.639776|0.248942|7.569457|36.858105| |1.915111|1.986468|2.346674|0.067572|2.615372|2.930514|3.135788|2.931515|2.619098|2.495461|2.322706|3.707605|3.491233|3.013783|3.182478|0.088789|2.585067|2.434593|2.261219|1.942073|2.614099|0.048585|0.054000|2.090478|2.502718|3.942387|6.496168|7.069961|7.580134|0.190575|6.055964|14.024105|53.358707| |1.837647|1.912291|2.241212|0.063538|2.519284|2.781891|3.029179|2.927907|2.629764|2.462665|2.234147|3.611972|3.322396|2.790914|2.943498|0.080549|2.453693|2.346327|2.131975|1.856533|2.520121|0.047104|0.051807|2.034792|2.411843|3.679566|6.344218|6.251021|6.804213|0.189404|6.008701|9.041475|26.089515|0.500000| |1.861181|1.893909|2.204774|0.064360|2.431741|2.773968|2.961934|2.703169|2.385814|2.283982|2.138921|3.412011|3.175850|2.746769|2.833600|0.080946|2.324243|2.186923|2.096149|1.807898|2.411085|0.045040|0.050030|1.888807|2.223775|3.297169|5.346228|5.720405|5.220631|0.131718|4.395994|8.662635|18.765701|0.248379|36.858105| |1.708966|1.716297|1.956010|0.056771|2.154636|2.451182|2.654518|2.454749|2.158972|2.045154|1.882822|3.040239|2.743249|2.314494|2.353558|0.066986|1.989232|1.895147|1.822145|1.599005|2.135242|0.040276|0.044259|1.660661|1.913957|2.663540|4.418107|4.379700|3.824269|0.100701|3.434308|5.330902|10.217188|0.180926|13.697746|36.858105| |1.663484|1.650109|1.858908|0.054467|2.019439|2.304139|2.459371|2.242737|1.979054|1.895377|1.772480|2.862343|2.568154|2.165801|2.179935|0.062846|1.856344|1.764454|1.734388|1.526907|2.025880|0.038331|0.042119|1.553804|1.773663|2.387104|3.923751|3.857247|3.180401|0.083248|2.874391|4.232663|6.977995|0.124477|8.038413|13.804294|36.858105| |1.749131|1.729401|1.954713|0.058199|2.091663|2.398634|2.494362|2.223818|1.973666|1.925113|1.854447|2.968232|2.706444|2.321398|2.329602|0.068454|1.961780|1.843455|1.856679|1.619139|2.129647|0.040137|0.044470|1.615984|1.851921|2.493861|4.007415|4.060758|3.204236|0.082068|2.841894|4.281944|6.362615|0.109224|6.993874|7.893881|13.510144|36.858105| |1.908427|1.906445|2.195477|0.066195|2.334324|2.687191|2.733732|2.396841|2.137333|2.114637|2.090890|3.302541|3.107227|2.743749|2.776861|0.083038|2.271773|2.101512|2.140996|1.831628|2.396406|0.044738|0.050188|1.818853|2.120772|2.973647|4.641518|5.018145|3.870359|0.095870|3.300370|5.451491|7.369851|0.119118|7.926720|6.733576|7.811058|13.858025|36.858105| |1.980236|2.013307|2.364955|0.070594|2.556189|2.936467|3.018032|2.667726|2.374548|2.333839|2.283369|3.590524|3.440989|3.075899|3.176130|0.093689|2.535409|2.338393|2.317196|1.962893|2.587290|0.047979|0.054009|2.000657|2.379236|3.583867|5.551389|6.416208|5.298962|0.126788|4.269732|8.960270|11.825586|0.167394|13.732682|7.811861|6.849505|8.031454|13.676976|36.858105| |2.131313|2.215960|2.672584|0.080161|2.865396|3.242234|3.229639|2.849208|2.584940|2.590707|2.633204|4.081855|4.101001|3.816839|4.094255|0.122250|3.097484|2.787652|2.759006|2.275598|2.996234|0.054781|0.062599|2.341766|2.877822|4.810830|7.047919|9.687011|7.717462|0.165986|5.469454|14.836614|11.742280|0.167719|8.392361|5.296641|4.591385|5.130317|7.542473|13.729595|53.358707| |1.513151|1.489742|1.649748|0.047997|1.785947|2.017106|2.162409|2.003044|1.777296|1.693970|1.571026|2.564733|2.248050|1.858599|1.860460|0.053311|1.619183|1.552954|1.525805|1.362525|1.811974|0.034550|0.037614|1.384232|1.556144|2.012493|3.360810|3.156120|2.566700|0.068480|2.385136|3.199076|5.142672|0.097768|5.048793|7.572817|12.604799|7.551436|5.007335|4.438602|4.581252|36.858105| |17.578713|8.751943|6.673945|0.169196|6.712406|6.157251|4.865802|4.302425|4.482999|5.426816|4.453350|7.154804|4.862968|3.401142|2.669291|0.068911|2.495841|2.861590|2.403283|2.168931|2.598120|0.049901|0.050153|1.947171|2.106584|2.491579|4.303223|3.195833|2.174684|0.063949|1.869738|2.135993|2.708173|0.053243|1.934927|1.784652|1.731656|1.806951|1.958465|2.038585|2.959905|1.577790|0.500000| |17.524840|8.758041|6.757368|0.206949|5.459592|5.204236|3.965006|3.386391|3.453386|4.179723|4.552402|7.036324|5.158459|3.701710|2.853033|0.075265|2.666404|2.978707|2.676464|2.388802|2.787236|0.053304|0.054032|2.036388|2.201976|2.545317|4.273118|3.270221|2.164710|0.062131|1.863378|2.137283|2.664232|0.051656|1.923566|1.763387|1.732223|1.844198|2.023837|2.076286|3.035916|1.570166|0.301484|0.500000| |17.562511|8.832583|5.449082|0.141978|4.639402|4.114008|3.396804|3.132706|3.346619|4.023317|4.088053|6.946244|4.469584|3.030111|2.441628|0.063705|2.371794|2.712897|2.366402|2.195688|2.596302|0.050441|0.049879|1.905878|2.010330|2.224052|3.844497|2.826964|1.905710|0.055221|1.674705|1.858731|2.351302|0.046267|1.684801|1.561690|1.526734|1.600232|1.729639|1.782600|2.589096|1.402169|0.302143|0.302077|0.500000| |8.832544|17.602243|8.845732|0.174553|6.828274|4.818698|3.854221|3.776918|4.543926|6.418100|6.903423|12.862884|6.318885|3.812738|2.989857|0.074283|2.987579|3.734069|2.840833|2.633697|3.106339|0.059953|0.058282|2.350460|2.486043|2.729401|4.866471|3.314352|2.212591|0.065472|1.935675|2.075280|2.590933|0.051456|1.801805|1.641549|1.569286|1.627018|1.778548|1.888315|2.816739|1.425062|0.210166|0.172576|0.212355|0.500000| |8.870580|17.537168|8.872783|0.212777|5.479441|4.291980|3.344809|3.103451|3.473091|4.568296|7.170015|12.089109|6.916986|4.200830|3.225522|0.081726|3.265284|3.967936|3.296965|3.037702|3.426008|0.065817|0.064272|2.498209|2.629515|2.779841|4.791460|3.374969|2.189978|0.063189|1.919230|2.065808|2.541298|0.049821|1.785239|1.619218|1.564390|1.647914|1.819145|1.909251|2.866444|1.415330|0.172915|0.210145|0.215036|0.305050|0.500000| |5.363691|5.152354|6.985130|0.227292|8.903291|17.694053|8.936155|5.652206|4.963074|5.649752|4.849446|6.812603|6.200334|5.251345|3.813863|0.098804|3.154242|3.423728|2.906703|2.436234|2.937979|0.054758|0.057757|2.240193|2.583410|3.630784|5.896693|4.863753|3.232225|0.094943|2.574355|3.272028|3.986376|0.075659|2.844004|2.507076|2.399998|2.557524|2.903517|3.107125|4.654862|2.087701|0.164392|0.160401|0.114710|0.121278|0.118784|0.500000| |3.597079|3.428960|4.080671|0.114419|5.627821|8.922128|17.716852|8.911632|5.650416|4.955487|3.345296|5.156630|4.368190|3.543903|2.958175|0.077120|2.500573|2.676149|2.253784|1.953401|2.458186|0.046352|0.048694|1.913768|2.188538|3.116809|5.313181|4.383024|3.242533|0.099509|2.595607|3.427731|4.526771|0.088326|3.238464|2.939262|2.742537|2.775707|3.010426|3.286343|4.622541|2.403436|0.116710|0.099973|0.084743|0.089998|0.081333|0.216225|0.500000| |3.084372|3.099161|3.530891|0.090950|4.925212|5.643385|8.912187|17.720138|8.903623|5.639500|3.123092|5.121275|3.970717|2.978390|2.602183|0.066058|2.312876|2.560553|2.039784|1.821856|2.341531|0.044631|0.045899|1.864175|2.093641|2.840005|5.200229|3.835082|2.950506|0.095052|2.477215|2.923364|3.987720|0.082808|2.710965|2.511358|2.278646|2.215643|2.343610|2.605382|3.699848|2.057814|0.099668|0.080431|0.075709|0.087738|0.073612|0.124257|0.214528|0.500000| |3.337884|3.650193|4.078357|0.096507|5.633559|4.964890|5.653611|8.910928|17.718514|8.938224|3.833277|6.692479|4.584843|3.136777|2.725266|0.066940|2.552886|3.013394|2.214298|2.018827|2.592272|0.049720|0.049781|2.097017|2.309822|2.920220|5.617697|3.680361|2.722774|0.087693|2.359748|2.524201|3.313433|0.068983|2.208342|2.020776|1.847349|1.823949|1.954551|2.167858|3.187218|1.676407|0.104882|0.082495|0.082903|0.111788|0.085625|0.107697|0.124140|0.214645|0.500000| |4.592688|5.998146|6.961309|0.140802|8.900259|5.653446|4.956049|5.645133|8.936147|17.724218|6.862344|12.629618|6.874562|4.143709|3.351633|0.079724|3.263333|4.236369|2.824626|2.567936|3.177069|0.060597|0.059626|2.553028|2.791819|3.332233|6.327316|3.953499|2.718077|0.084569|2.345074|2.460878|3.083840|0.062441|2.070542|1.862856|1.731242|1.757749|1.924497|2.114272|3.198515|1.557697|0.135157|0.107836|0.110080|0.201187|0.133336|0.124076|0.107576|0.124183|0.216204|0.500000| |3.746974|4.391120|6.175795|0.222290|4.997163|4.786675|3.698159|3.174089|3.232848|3.882808|6.464016|8.347009|12.309554|17.562528|8.743138|0.226761|6.377865|6.049925|6.160296|4.260811|4.707945|0.082862|0.092335|3.469543|4.279333|5.669119|8.086924|6.714194|3.701619|0.100399|3.016518|3.412373|3.812390|0.071352|2.634993|2.245079|2.142938|2.337849|2.772960|3.013383|4.980414|1.844879|0.096539|0.112414|0.087961|0.103310|0.121941|0.148329|0.094167|0.076002|0.077873|0.101237|0.500000| |3.695796|4.326152|6.620381|0.206240|6.641576|6.538522|4.985784|4.210089|4.240696|5.072088|6.754731|8.605397|12.272089|17.624060|8.700228|0.190773|5.725250|6.014562|4.607643|3.474950|4.153100|0.074058|0.081052|3.287533|4.177578|7.550692|10.774274|8.686800|4.800530|0.138246|3.606411|4.247757|4.650209|0.087367|3.085104|2.566698|2.375515|2.532837|3.009004|3.441865|5.859113|2.017681|0.101248|0.105659|0.085464|0.106593|0.110605|0.185269|0.121690|0.097639|0.098523|0.124415|0.302733|0.500000| |2.844869|3.579793|4.529232|0.115320|4.195090|3.499561|3.066830|3.068093|3.506693|4.195927|6.723413|11.655290|12.351721|6.388439|6.726110|0.136726|8.776369|17.602097|5.504168|4.771413|6.099483|0.107692|0.107809|5.754554|7.087523|6.264347|13.248669|5.940173|3.631253|0.107107|3.262015|2.935841|3.428536|0.068461|2.222062|1.924980|1.771108|1.826303|2.067642|2.330330|3.773652|1.560657|0.076043|0.076117|0.070763|0.098787|0.098194|0.090763|0.075055|0.075109|0.091353|0.125429|0.135565|0.153588|0.500000| |3.009598|3.901598|4.642622|0.120240|3.826985|3.171137|2.706298|2.646995|2.993616|3.659906|7.283998|13.755839|12.489897|5.823306|5.672296|0.126643|8.606267|17.631220|7.076414|6.791600|7.436104|0.132109|0.122912|6.097233|6.237119|4.519005|8.288041|4.720237|2.881459|0.082091|2.625651|2.464470|2.911878|0.057567|1.947569|1.713132|1.608408|1.678694|1.891969|2.072822|3.290231|1.430938|0.077252|0.081007|0.076020|0.105750|0.115030|0.085065|0.066998|0.064954|0.077787|0.111398|0.139274|0.129757|0.302551|0.500000| |2.961107|3.548914|4.225623|0.128857|3.388788|3.076612|2.573486|2.368817|2.501727|2.953991|5.211283|8.001084|9.595041|6.886127|6.904025|0.187174|8.729564|7.039849|17.589750|9.021275|7.631660|0.127230|0.143369|4.888308|5.514181|4.473314|6.960765|5.068346|2.916229|0.078295|2.612314|2.614559|3.013199|0.057733|2.077665|1.814148|1.739986|1.874191|2.160787|2.311859|3.709432|1.532864|0.074529|0.085852|0.074239|0.088232|0.107889|0.089437|0.066147|0.058582|0.063381|0.082955|0.212456|0.137835|0.140760|0.189882|0.500000| |2.375185|2.726204|3.199973|0.096133|2.784276|2.629457|2.291225|2.126493|2.205173|2.500238|3.764765|5.994717|6.730649|5.402142|7.054135|0.226665|8.772489|5.493916|17.510856|8.915413|9.376299|0.143950|0.204474|5.682875|6.815442|4.745187|7.166054|5.529535|3.120731|0.080663|2.898930|2.766503|3.146339|0.059993|2.160609|1.872557|1.792004|1.936117|2.250378|2.420854|3.940667|1.570605|0.061514|0.068757|0.060268|0.069626|0.080061|0.076203|0.060102|0.053638|0.056626|0.069490|0.155792|0.117242|0.122973|0.141017|0.303758|0.500000| |2.490490|3.019705|3.323176|0.092090|2.777085|2.450311|2.134893|2.059170|2.241072|2.613043|4.296672|7.810222|6.863595|4.183317|4.438401|0.113358|6.610956|6.538192|8.734565|17.647161|12.438121|0.225362|0.181227|6.916706|5.679632|3.490029|6.067528|3.925760|2.414169|0.066314|2.279673|2.128263|2.533248|0.049769|1.729543|1.538066|1.466221|1.544968|1.734655|1.859780|2.910458|1.314586|0.063253|0.069090|0.064852|0.080278|0.092717|0.068190|0.054583|0.051739|0.058831|0.077107|0.113058|0.094862|0.142749|0.238587|0.214343|0.173228|0.500000| |2.245636|2.603708|2.841444|0.082061|2.414923|2.214536|1.944319|1.846437|1.956957|2.232088|3.389829|5.865219|5.412140|3.715188|4.072874|0.113927|5.425609|4.590832|8.769825|17.625032|12.363883|0.222308|0.224896|5.574682|4.887952|3.179886|5.299347|3.750956|2.297087|0.061556|2.189786|2.070378|2.459309|0.047858|1.703787|1.518734|1.463594|1.559668|1.757066|1.857134|2.893146|1.312663|0.057155|0.063907|0.058762|0.067902|0.079645|0.063108|0.050672|0.046835|0.051183|0.064122|0.106471|0.085265|0.105040|0.141228|0.212661|0.217033|0.301570|0.500000| |2.137056|2.550986|2.881810|0.077419|2.612581|2.320988|2.098830|2.087319|2.291560|2.588450|3.716011|6.894455|6.014158|3.766633|4.422215|0.107618|6.719682|6.606186|5.752748|6.946960|12.419074|0.223944|0.181110|17.626639|8.748665|3.963545|7.587320|4.290905|2.707108|0.075247|2.669384|2.277102|2.718649|0.054373|1.804950|1.596579|1.492988|1.544976|1.727096|1.896532|2.993698|1.336462|0.056294|0.058260|0.055428|0.070297|0.073839|0.062758|0.053596|0.053161|0.061577|0.076862|0.093642|0.090261|0.181373|0.204356|0.128996|0.132333|0.208081|0.142860|0.500000| |1.840809|2.125507|2.393283|0.065763|2.229534|2.050968|1.890406|1.871109|2.003558|2.196727|2.908071|5.199497|4.696100|3.228245|4.006548|0.103702|5.452579|4.588890|4.891105|5.576694|12.363515|0.222932|0.224446|17.626798|8.769309|3.774117|7.074705|4.272451|2.730796|0.073832|2.827457|2.292993|2.738904|0.054791|1.816484|1.606326|1.500850|1.551983|1.734664|1.906753|3.009900|1.343203|0.048981|0.050806|0.047885|0.058099|0.060914|0.056056|0.049145|0.048374|0.053984|0.063627|0.081875|0.079279|0.127987|0.127741|0.107728|0.127698|0.142860|0.126495|0.301185|0.500000| |2.041260|2.339892|2.764033|0.078636|2.589579|2.445022|2.227198|2.141849|2.236960|2.456612|3.309297|5.487311|5.819536|4.491038|6.817002|0.184421|8.793466|5.446355|6.835672|5.700351|9.434100|0.144591|0.207169|8.904523|17.491333|6.141661|10.138206|6.673383|3.839591|0.098326|3.886425|3.107998|3.516225|0.068540|2.305534|1.975494|1.835208|1.927517|2.221866|2.491098|4.130290|1.603564|0.054518|0.057416|0.051977|0.062186|0.066172|0.068036|0.058307|0.054890|0.058717|0.068733|0.111676|0.107115|0.143859|0.131165|0.139466|0.200364|0.131811|0.128691|0.173084|0.215274|0.500000| |2.154295|2.521913|3.021477|0.082623|2.898652|2.659505|2.441796|2.412834|2.587771|2.849440|3.771160|6.407315|6.618021|4.689686|6.616223|0.150653|8.796382|6.890234|5.520847|4.862121|7.619664|0.126945|0.143964|8.992381|17.653745|7.033363|14.727003|6.778344|4.090733|0.111881|4.096248|3.151200|3.616427|0.072156|2.310707|1.982230|1.812757|1.868863|2.129419|2.426151|4.000469|1.589106|0.058089|0.059328|0.054634|0.068500|0.070123|0.071642|0.062663|0.061552|0.068652|0.081087|0.108549|0.115398|0.216343|0.156749|0.123081|0.139544|0.127163|0.107532|0.212743|0.212693|0.303830|0.500000| |2.371406|2.578211|3.238658|0.097857|3.320531|3.537562|3.278390|2.923624|2.798728|2.953421|3.381687|5.107615|5.743259|5.889792|7.496141|0.236015|4.764467|3.950078|3.977698|3.058703|3.990489|0.070528|0.083317|3.172985|4.234151|9.342270|10.826698|25.981578|9.144094|0.187437|6.104214|7.980822|6.926687|0.119663|4.408835|3.343488|3.015102|3.286077|4.232844|5.368075|11.936381|2.433347|0.065650|0.068667|0.058259|0.066338|0.068981|0.102773|0.089617|0.074581|0.069956|0.075731|0.147618|0.175462|0.106788|0.090473|0.106106|0.116934|0.078166|0.077024|0.080934|0.080777|0.125592|0.118077|0.500000| |1.735293|1.862042|2.187831|0.061464|2.362669|2.457584|2.528824|2.496894|2.399831|2.338070|2.303630|3.779890|3.552035|2.931696|3.392321|0.092101|2.902722|2.668599|2.439182|2.134459|3.011456|0.055777|0.062477|2.518936|3.063431|4.557272|8.239858|7.600570|8.770164|0.212656|17.561526|6.837095|8.887927|0.200136|4.576024|3.661128|2.977642|2.844500|3.199917|4.125402|6.630861|2.491028|0.049217|0.048490|0.043972|0.050414|0.049419|0.066546|0.069943|0.068419|0.064017|0.061414|0.073109|0.087168|0.079522|0.064846|0.063518|0.069149|0.056521|0.054203|0.065856|0.069350|0.089274|0.095283|0.131506|0.500000| |1.843919|2.027332|2.413336|0.067402|2.546211|2.559048|2.542306|2.515284|2.505084|2.520112|2.645778|4.349229|4.227664|3.455635|4.314990|0.113505|3.744710|3.330409|2.986064|2.587424|3.733323|0.067919|0.077257|3.261606|4.183953|6.312802|12.170090|9.517976|8.850533|0.214615|17.603556|5.527475|6.276660|0.130314|3.549067|2.892013|2.478340|2.459612|2.814876|3.488094|5.918850|2.105572|0.051643|0.051331|0.046623|0.054923|0.054283|0.069009|0.068327|0.067141|0.066711|0.067390|0.083600|0.099352|0.101294|0.079164|0.075401|0.084118|0.067993|0.064239|0.083713|0.089920|0.122761|0.137577|0.149174|0.301726|0.500000| |1.757161|1.892937|2.233916|0.064008|2.333194|2.416304|2.397464|2.300620|2.229776|2.244239|2.376166|3.856510|3.777721|3.217732|3.973563|0.113838|3.321382|2.866881|2.818203|2.414459|3.430259|0.062501|0.072879|2.833971|3.558300|5.249912|8.583837|9.461486|8.803954|0.173703|17.573222|6.893451|7.475722|0.143640|4.310349|3.391327|2.903834|2.925746|3.434721|4.365969|7.590831|2.403552|0.049133|0.049696|0.044490|0.050570|0.050935|0.067068|0.066208|0.061711|0.058662|0.059288|0.081335|0.092554|0.082861|0.069232|0.072093|0.082594|0.062339|0.061426|0.071686|0.077922|0.109931|0.107102|0.169861|0.300855|0.299526|0.500000| |1.623315|1.632622|1.847078|0.052993|2.046358|2.303806|2.528807|2.395908|2.112210|1.975683|1.785879|2.911352|2.581474|2.139850|2.176594|0.061196|1.869029|1.798049|1.705258|1.511780|2.030833|0.038487|0.041961|1.587981|1.815698|2.478583|4.203374|3.985695|3.528813|0.095616|3.272172|4.604400|8.982308|0.182069|8.834604|17.714568|8.892314|5.607589|4.879036|5.582471|5.860192|6.965376|0.047255|0.046145|0.041404|0.043746|0.042723|0.064431|0.077267|0.069233|0.055589|0.050195|0.057221|0.065693|0.051175|0.045352|0.047013|0.048377|0.040600|0.039833|0.042610|0.042886|0.051782|0.052636|0.082425|0.100015|0.077563|0.088251|0.500000| |1.680820|1.647619|1.838611|0.054879|1.946738|2.220342|2.289650|2.043217|1.824729|1.789003|1.737255|2.792559|2.517581|2.139532|2.133033|0.062880|1.821441|1.715066|1.748789|1.536439|2.015025|0.038144|0.042124|1.515041|1.717696|2.237461|3.609264|3.561561|2.742988|0.070842|2.470944|3.486458|5.035636|0.089413|5.013776|5.642617|8.888147|17.706878|8.989293|5.686287|5.608211|7.079230|0.048089|0.049457|0.042979|0.042997|0.043814|0.066177|0.070581|0.056488|0.046960|0.045593|0.060566|0.064102|0.046938|0.043754|0.049269|0.050738|0.040746|0.041416|0.040288|0.040448|0.049635|0.047823|0.079995|0.068399|0.060502|0.070960|0.123823|0.500000| |1.959113|1.951936|2.243174|0.068640|2.336726|2.676742|2.649812|2.301059|2.074763|2.087345|2.130823|3.349164|3.181605|2.838593|2.861874|0.087494|2.336805|2.139511|2.245204|1.908573|2.474368|0.046099|0.052046|1.853243|2.157313|2.958889|4.550023|4.920704|3.584859|0.088452|3.069311|4.729861|5.972222|0.099647|5.632394|4.880090|5.576965|8.901678|17.728888|8.859842|9.107649|4.085691|0.055311|0.058373|0.049318|0.050130|0.052137|0.081939|0.080204|0.061698|0.052501|0.052981|0.081628|0.085138|0.057666|0.053672|0.063415|0.066235|0.049906|0.051225|0.048695|0.048864|0.063078|0.059303|0.118768|0.080835|0.074125|0.089841|0.106280|0.215247|0.500000| |1.420964|1.401729|1.544693|0.045003|1.652484|1.845880|1.951558|1.813843|1.630214|1.567102|1.480090|2.424574|2.123955|1.751191|1.768008|0.051016|1.550155|1.477027|1.472048|1.320354|1.761742|0.033657|0.036728|1.339359|1.498514|1.897662|3.164907|2.964300|2.382653|0.062920|2.256820|2.919549|4.564198|0.086896|4.331467|5.896960|8.844387|6.731094|4.604478|3.986633|4.219993|17.549218|0.040894|0.041025|0.036735|0.037237|0.037229|0.053212|0.059502|0.051435|0.042851|0.040315|0.048506|0.052218|0.041106|0.037953|0.040974|0.042320|0.035276|0.035486|0.035805|0.036232|0.043131|0.042329|0.063707|0.065211|0.055592|0.064129|0.151782|0.193024|0.108423|0.500000| |1.543015|1.503384|1.653970|0.048207|1.792893|2.039928|2.194267|2.018497|1.779410|1.694136|1.558539|2.543319|2.211292|1.822318|1.798158|0.051405|1.569366|1.516028|1.487076|1.329946|1.757376|0.033570|0.036372|1.336738|1.496208|1.922045|3.210439|2.978048|2.380723|0.064180|2.185506|2.918872|4.561242|0.086922|4.328857|5.891801|8.843434|6.735906|4.605714|3.986085|4.219808|17.548940|0.044860|0.044602|0.039774|0.039882|0.039593|0.058950|0.068479|0.057695|0.046496|0.043149|0.050570|0.055039|0.042176|0.038942|0.041787|0.042369|0.035761|0.035678|0.035991|0.035907|0.042603|0.042295|0.063937|0.062752|0.054215|0.060805|0.151588|0.193292|0.108458|0.302330|0.500000| 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