Version2.0 2020-01-26T02:26:58Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 11-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc(o3)c4ccccc4F C39631988 RHF 6-31G(d) (6D,7F) C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc(o3)c4ccccc4F C01[X(C28H39F1N3O4)] 219 C1 618 C[C@H](NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(o1)c1ccccc1F)CCCC(O)(C)C C[C@H](NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(o1)c1ccccc1F)CCCC(O)(C)C C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)c3oc(cc3)c4ccccc4F InChIKey=LYSCBOZDXVCVHJ-FPOVZHCZSA-O InChI=1S/C28H38FN3O4/c1-19(7-6-12-27(2,3)35)31-25(33)21-17-32(18-28(21)13-15-30-16-14-28)26(34)24-11-10-23(36-24)20-8-4-5-9-22(20)29/h4-5,8-11,19,21,30,35H,6-7,12-18H2,1-3H3,(H,31,33)/p+1/t19-,21-/m0/s1 InChI=1/C28H38FN3O4/c1-19(7-6-12-27(2,3)35)31-25(33)21-17-32(18-28(21)13-15-30-16-14-28)26(34)24-11-10-23(36-24)20-8-4-5-9-22(20)29/h4-5,8-11,19,21,30,35H,6-7,12-18H2,1-3H3,(H,31,33)/p+1/t19-,21-/m0/s1/fC28H39FN3O4/h30-31H/q+1 C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc(o3)c4ccccc4F C01[X(C28H39F1N3O4)] 219 C01 618 C[C@H](NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(o1)c1ccccc1F)CCCC(O)(C)C C[C@H](NC(=O)[C@@H]1CN(CC21CC[NH2]CC2)C(=O)c1ccc(o1)c1ccccc1F)CCCC(O)(C)C C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]1CN(CC12CC[NH2]CC2)C(=O)c3oc(cc3)c4ccccc4F InChIKey=JMIKMMKOWSMQQL-FPOVZHCZSA-N InChI=1S/C28H39FN3O4/c1-19(7-6-12-27(2,3)35)31-25(33)21-17-32(18-28(21)13-15-30-16-14-28)26(34)24-11-10-23(36-24)20-8-4-5-9-22(20)29/h4-5,8-11,19,21,35H,6-7,12-18,30H2,1-3H3,(H,31,33)/t19-,21-/m0/s1 InChI=1/C28H39FN3O4/c1-19(7-6-12-27(2,3)35)31-25(33)21-17-32(18-28(21)13-15-30-16-14-28)26(34)24-11-10-23(36-24)20-8-4-5-9-22(20)29/h4-5,8-11,19,21,35H,6-7,12-18,30H2,1-3H3,(H,31,33)/t19-,21-/m0/s1/f/h31H 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5.6716 5.5510 5.2408 4.2258 23.7868 10.0687 7.4291 2.6402 17.5218 4.7797 14.3565 6.4103 9.8960 3.6021 15.8580 3.7574 1.1302 2.6386 2.8057 21.8371 46.1696 2.5358 23.2303 48.0255 1.0730 9.7498 5.7199 1.9306 10.9255 9.0830 20.6737 13.0058 5.6555 2.4829 3.9538 3.6256 7.0659 2.9291 14.6073 4.6308 1.9825 5.3202 1.5802 1.2357 1.0436 2.8675 1.6363 0.2468 5.3606 2.2334 0.5791 163.9208 2.1296 0.9566 40.2686 12.1667 33.1628 2.2917 8.6315 6.6029 17.5041 11.6229 0.3916 5.6874 4.9572 191.8443 11.4388 13.1900 1505.7802 112.5314 37.6490 89.2082 659.7292 5.6981 98.4685 7.0220 0.5681 68.6925 97.6307 7.4989 96.1351 74.6463 5.1124 54.8627 96.0843 165.9695 66.4174 7.2979 58.8161 111.0577 14.0286 52.3706 109.9924 31.9847 12.4959 56.5849 139.4163 109.5639 58.4636 54.1433 45.3333 38.9741 77.6044 29.8735 42.1275 66.9220 99.3901 124.1542 172.7122 82.1915 75.1178 71.0115 64.3451 24.2403 60.1498 0.7450 0.7496 0.7214 0.7424 0.6832 0.7292 0.7372 0.6510 0.6470 0.7422 0.7085 0.3947 0.7497 0.7285 0.7499 0.2829 0.7381 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0.8436 0.8528 0.7774 0.8525 0.8280 0.7098 0.6198 0.6978 0.7917 0.1106 0.7906 0.2304 0.8553 0.4769 0.4067 0.6141 0.8381 0.8283 0.8274 0.6737 0.7406 0.7752 0.7828 0.5214 0.8547 0.8229 0.7289 0.3749 0.6324 0.7596 0.7945 0.1338 0.5529 0.7909 0.7256 0.3892 0.8264 0.7353 0.8534 0.7258 0.5381 0.3811 0.8317 0.7373 0.8290 0.8567 0.6639 0.8143 0.8120 0.8443 0.8360 0.8477 0.8340 0.8136 0.8563 0.8356 0.8531 0.8231 0.7145 0.5195 0.8450 0.8113 0.8144 0.8301 0.7274 0.7647 0.8422 0.7409 0.5000 0.8091 0.8152 0.5398 0.8556 0.5462 0.8570 0.8568 0.8557 0.8377 0.8516 0.5055 0.8546 0.8566 0.4201 0.8444 0.8389 0.4224 0.8197 0.8477 0.4532 0.4551 0.7881 0.5989 0.5956 0.8434 0.3897 0.3180 0.7857 0.3529 0.1177 0.6037 0.0528 0.4512 0.8502 0.1118 0.1319 0.2443 0.6283 0.3751 0.2031 0.8525 0.7407 0.8296 0.2408 0.7553 0.5671 0.4555 0.0472 0.8501 0.8257 0.8149 0.6765 0.8567 0.7838 0.6781 0.5223 0.8023 0.8531 0.2866 0.2202 0.6016 0.4114 0.2115 0.7357 0.2631 0.4367 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 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 6 6 1 6 6 6 6 6 6 8 7 6 8 6 1 6 7 6 6 6 6 7 1 1 6 6 6 8 6 6 6 6 8 6 6 6 6 6 6 9 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 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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 1.00783 1.00783 1.00783 16868.8124 23581.7969 38335.4661 0.99858 -0.05327 -0.00106 0.05327 0.99858 -0.00026 0.00107 0.00020 1.00000 1 0.00513 0.00367 0.00226 0.10699 0.07653 0.04708 13.02 17.72 25.19 45.09 47.09 56.58 74.96 88.68 90.70 94.41 115.25 133.65 144.49 160.73 171.68 213.38 219.10 234.69 255.02 258.70 280.08 308.65 333.19 341.83 369.87 375.26 383.48 387.04 405.63 428.94 438.57 448.65 477.53 491.76 499.79 511.81 534.35 536.54 542.15 567.17 612.07 637.39 649.66 665.56 681.26 696.57 718.27 721.16 741.20 743.40 746.21 782.45 809.43 837.29 852.44 857.45 868.70 943.65 977.29 986.85 1046.94 1079.77 1097.65 1154.12 1163.92 1167.03 1173.88 1185.11 1216.62 1230.56 1253.58 1260.11 1261.14 1289.82 1292.52 1347.05 1350.83 1356.28 1382.42 1411.13 1417.89 1423.82 1440.61 1464.28 1470.63 1491.85 1497.64 1509.93 1512.60 1538.04 1557.14 1559.73 1562.19 1577.01 1590.87 1601.60 1610.70 1619.84 1621.32 1628.66 1632.82 1635.38 1636.73 1643.67 1676.51 1684.97 1720.15 1739.39 1749.70 1766.46 1780.79 1784.27 1789.42 1823.09 1832.51 1882.16 1889.48 1897.79 1901.90 1909.15 1922.22 1938.31 1952.08 1955.00 1960.37 1978.91 1992.37 2001.99 2017.29 2034.05 2043.39 2058.92 2076.44 2080.26 2089.94 2097.01 2106.77 2128.84 2150.67 2161.38 2163.86 2179.13 2191.14 2195.37 2216.01 2224.55 2224.84 2235.56 2250.70 2252.39 2253.43 2258.90 2270.75 2275.50 2277.34 2329.60 2335.60 2346.57 2348.45 2349.29 2352.71 2359.45 2365.60 2366.86 2368.04 2374.93 2381.70 2385.75 2388.27 2394.25 2413.09 2419.28 2448.35 2462.06 2562.06 2589.87 2620.11 2627.38 2714.73 2760.50 4565.36 4576.19 4602.60 4605.66 4616.95 4620.83 4625.36 4632.12 4635.78 4637.83 4652.00 4690.77 4694.07 4694.14 4698.05 4700.33 4718.77 4720.84 4722.15 4722.75 4730.12 4735.31 4746.51 4750.06 4770.39 4794.52 4798.65 4817.90 4853.26 4865.73 4895.72 4901.16 4917.93 4989.02 5037.76 5273.44 5368.62 5576.62 5887.91 0.697597 0.730749 0.731693 0.628792 -1644.383420 -1644.350267 -1644.349323 -1644.452224 3.451316D-04 MUNgauss RevisionA2.0 retrievium 26-Jan-2020 DUDE C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]1CN(CC12CC[NH2+]CC2)C(=O)c3ccc(o3)c4ccccc4F C39631988 RHF 6-31G(d) (6D,10F) C1 500.292460 |X|Y|Z| 111.825008 93.364012 28.001588 66.369269 22 6 7 8 19 2 1 |36.858105| |12.458671|36.858105| |8.904470|17.602253|0.500000| |7.542699|12.451030|0.246584|36.858105| |4.856448|7.359924|0.189791|12.442537|36.858105| |3.777328|4.853807|0.126810|7.529820|12.438493|36.858105| |2.957544|3.677901|0.099611|4.850066|7.337600|12.387101|36.858105| |2.758549|3.443766|0.098603|4.190858|6.192124|7.483650|12.488429|36.858105| |2.526892|2.965034|0.080060|3.786900|4.864286|7.589534|12.454433|7.603069|36.858105| |2.825666|3.514457|0.093136|4.411489|6.346395|7.886945|13.402402|8.111131|7.911345|73.516695| |7.718708|12.980463|0.257098|7.768253|6.255877|4.256889|3.477953|3.263989|2.785505|6.343355|53.358707| |6.037295|7.714254|0.200491|5.128375|4.558353|3.358667|2.909304|2.841147|2.387274|5.350167|19.347613|36.858105| |5.903952|6.790502|0.203639|4.482117|3.975996|3.018520|2.632366|2.636677|2.196708|4.713416|11.584304|15.778704|73.516695| |4.246481|4.985545|0.129098|3.944354|3.748190|2.934836|2.662069|2.589455|2.216271|5.100779|10.709259|12.473286|14.125362|36.858105| |4.228987|4.827619|0.118098|4.007414|3.738576|2.985908|2.692305|2.542475|2.259136|5.242144|10.322548|8.986248|10.677636|17.525740|0.500000| |3.391677|4.125655|0.111972|3.547564|3.685598|2.932876|2.787926|2.780246|2.293376|5.500846|7.953427|7.357530|10.090791|12.306746|0.247530|36.858105| |2.796263|3.192461|0.086767|2.812106|2.881167|2.411808|2.333711|2.328730|1.982630|4.599632|5.681248|5.102125|7.775605|8.065564|0.190594|12.969334|53.358707| |2.853504|3.103372|0.082873|2.681363|2.630589|2.221611|2.107229|2.071503|1.820378|4.085573|5.482974|5.039772|7.836447|8.201195|0.207815|7.953685|17.847309|36.858105| |3.513494|3.771096|0.100937|3.059752|2.893452|2.376093|2.191265|2.156745|1.878536|4.149103|6.870139|7.237984|11.449062|12.307584|0.249913|7.823001|11.055311|12.392623|36.858105| |3.611744|3.572472|0.093146|2.901614|2.635152|2.208496|2.007726|1.946259|1.753018|3.754327|6.146413|5.872670|9.796451|7.451942|0.199198|4.988917|6.935908|7.397655|12.411589|36.858105| |2.891978|2.818644|0.075337|2.366791|2.184578|1.879501|1.734763|1.697277|1.539347|3.227293|4.545358|4.102358|7.312231|4.853977|0.129224|3.838993|5.732217|5.978063|7.470418|12.491003|36.858105| |2.743443|2.696983|0.074508|2.249273|2.099669|1.803908|1.673942|1.666250|1.484641|3.082057|4.234305|3.892659|7.450906|4.349077|0.108469|3.631910|5.373704|5.105960|6.479279|7.685324|12.663561|53.358707| |2.418056|2.365250|0.065485|2.012000|1.889558|1.646559|1.538381|1.533653|1.376790|2.828223|3.636576|3.227289|6.129846|3.558500|0.090980|3.099177|4.641189|4.272890|4.919823|5.674355|9.174586|25.692295|0.500000| |2.971934|2.858611|0.079626|2.342930|2.156330|1.844053|1.694585|1.689015|1.502513|3.086422|4.392601|4.051998|8.146510|4.222690|0.104567|3.450208|4.843927|4.366092|5.824728|7.056930|9.208944|25.666841|0.327925|0.500000| |2.673446|2.748885|0.077442|2.298406|2.202556|1.876452|1.762417|1.779016|1.548063|3.264285|4.393781|4.156043|7.974030|4.830907|0.113391|4.324690|6.667488|6.082306|7.463952|6.480376|7.584810|17.171912|0.254011|0.255782|36.858105| |3.217537|3.438326|0.097386|2.779970|2.666864|2.203278|2.049930|2.071437|1.765191|3.809354|5.790138|6.042331|11.644715|7.349083|0.151985|6.193176|8.751424|7.534776|12.315149|7.592229|6.494747|10.500029|0.157917|0.197550|12.518571|36.858105| |2.380881|2.689395|0.074793|2.418486|2.521957|2.162461|2.139000|2.178953|1.839653|4.192896|4.513420|3.917708|6.381254|5.251009|0.127744|7.557337|18.909199|7.884928|5.600096|3.961698|3.588994|4.848088|0.088687|0.088804|4.584875|5.411994|36.858105| |2.163293|2.376980|0.066199|2.137396|2.194506|1.910589|1.885202|1.918317|1.648242|3.649664|3.884582|3.359436|5.662003|4.325119|0.107744|5.344666|11.527365|7.095267|5.061601|3.812486|3.705209|5.121406|0.096194|0.091199|4.947874|5.177126|15.783858|73.516695| |2.234284|2.572245|0.072583|2.375480|2.566165|2.224246|2.259987|2.354117|1.934333|4.465743|4.199227|3.487894|5.729012|4.280894|0.105987|6.304201|10.564677|5.048026|4.150004|3.135201|2.844842|3.899586|0.072605|0.073797|3.554419|4.155368|12.982883|14.674272|36.858105| |1.959978|2.223095|0.063340|2.077452|2.247502|1.991301|2.048108|2.163578|1.782429|3.995706|3.500670|2.857414|4.840942|3.323299|0.083667|4.404640|6.959219|3.858908|3.307972|2.632294|2.471601|3.458111|0.065861|0.065812|3.119245|3.448631|7.547318|11.777931|14.159420|36.858105| |1.894375|2.172805|0.062187|2.077679|2.305123|2.071810|2.184359|2.350937|1.899605|4.286715|3.358836|2.655306|4.482370|2.974287|0.076042|3.892269|5.595652|3.181000|2.835018|2.313646|2.148380|2.982918|0.056924|0.057786|2.606458|2.909776|5.210617|8.009619|8.592907|13.387106|36.858105| |2.093633|2.458770|0.070033|2.378018|2.705476|2.408627|2.570449|2.771769|2.186089|5.167010|3.852984|2.992463|4.920201|3.355039|0.086141|4.604223|6.180042|3.378775|3.035664|2.449855|2.211226|3.018054|0.056866|0.058864|2.606581|3.015265|5.314735|7.565604|8.742046|8.578255|14.064214|36.858105| |2.354709|2.791124|0.078600|2.639779|2.958080|2.554086|2.647845|2.778470|2.220387|5.362540|4.568612|3.641287|5.815039|4.328424|0.109205|6.675952|9.010071|4.401961|3.824984|2.947792|2.597645|3.500813|0.064903|0.067653|3.070064|3.686402|7.701049|9.569899|14.063597|8.615988|8.616856|14.155774|73.516695| |2.076746|2.466952|0.070168|2.469891|2.913788|2.658556|2.959653|3.263264|2.498568|6.074006|3.775482|2.810761|4.594190|3.026997|0.079514|3.954457|4.988433|2.867619|2.660200|2.211053|1.981192|2.680683|0.050616|0.052964|2.252006|2.601963|3.927249|5.796604|5.369310|5.180465|7.349006|12.991562|14.151930|36.858105| |2.296553|2.792374|0.078317|2.877068|3.532468|3.224781|3.693717|4.015275|3.003436|8.042659|4.296216|3.077837|4.894301|3.269504|0.087615|4.236678|5.024020|2.915689|2.748961|2.300413|2.018040|2.687070|0.050370|0.053429|2.219581|2.607505|3.676568|5.372055|4.604013|4.101558|5.004282|7.633450|12.115746|13.653233|36.858105| |2.184350|2.638160|0.073782|2.827439|3.561589|3.460883|4.276840|4.749560|3.513017|9.584613|3.902063|2.711185|4.356798|2.783522|0.075918|3.372811|4.027730|2.454251|2.359496|2.036628|1.798155|2.390154|0.045090|0.047914|1.936956|2.241306|2.910095|4.410392|3.452098|3.191989|3.806360|5.054719|8.107826|7.862781|13.786312|36.858105| |1.914967|2.259766|0.063862|2.405162|2.944857|2.935885|3.614492|4.149874|3.163656|7.482493|3.269478|2.303512|3.791261|2.349410|0.063767|2.782840|3.434941|2.133818|2.053376|1.795165|1.613709|2.165541|0.041227|0.043460|1.751686|1.988063|2.548409|3.964117|3.031332|2.945351|3.603588|4.467733|6.752845|6.809422|7.956797|13.734030|36.858105| |1.780347|2.074914|0.059159|2.151191|2.557524|2.492246|2.925045|3.344661|2.595464|5.835241|3.017860|2.181207|3.640363|2.249704|0.060318|2.691342|3.413874|2.109488|2.011037|1.748281|1.591511|2.157755|0.041279|0.043126|1.763426|1.980945|2.619240|4.113217|3.210116|3.265166|4.224415|5.052904|7.026218|7.849172|6.885043|7.932697|13.769521|36.858105| |1.843855|2.153381|0.061582|2.179316|2.555653|2.407735|2.726779|3.067413|2.375887|5.451602|3.198867|2.365122|3.945520|2.490424|0.065882|3.082509|3.968250|2.385770|2.240533|1.910110|1.740331|2.371393|0.045256|0.047072|1.970778|2.223700|3.140787|4.863134|4.077132|4.257593|6.076866|7.639782|9.211841|13.719511|8.029367|6.936913|8.015671|13.847251|36.858105| |1.688096|1.938278|0.055671|1.933708|2.211961|2.081806|2.305694|2.572194|2.047657|4.498193|2.866024|2.155098|3.654811|2.277846|0.059911|2.779891|3.701599|2.256066|2.109110|1.806674|1.674157|2.305899|0.044366|0.045631|1.926696|2.132596|3.027084|4.826863|3.943797|4.475447|6.722241|6.774292|8.158607|8.117335|5.300386|4.673404|5.322875|8.218607|14.320418|97.533100| |17.561279|8.817767|0.213573|6.873069|4.557104|3.728806|2.897651|2.719315|2.524330|4.779553|7.612577|4.625876|8.399894|3.453748|0.094922|2.896706|3.316997|2.465743|2.957054|3.030596|2.526236|3.319856|0.060693|0.073547|2.379509|2.792189|2.124665|3.461653|2.022654|1.802080|1.757713|1.930699|3.791336|1.933360|2.128212|2.055902|1.825903|1.697259|1.741113|3.599060|0.500000| |17.598718|8.802420|0.213765|5.490906|4.021410|3.184904|2.604427|2.487815|2.243724|4.485863|9.556727|6.533477|12.635351|4.496818|0.120342|3.466744|3.949408|3.030601|3.886295|4.110666|3.271163|4.275311|0.075939|0.097013|3.007064|3.630935|2.468353|4.026905|2.278320|1.999040|1.906009|2.081757|4.185423|2.029375|2.205374|2.069643|1.827028|1.721290|1.800889|3.747107|0.301813|0.500000| |17.536659|8.789371|0.173648|6.865643|4.489216|3.655190|2.873583|2.607461|2.494686|4.968936|9.412535|5.354900|8.731287|4.104076|0.120120|3.254272|3.720190|2.835323|3.420997|3.635523|2.899542|3.627657|0.065621|0.079144|2.554139|3.020077|2.310922|3.747286|2.152850|1.885522|1.819367|2.010822|4.029283|1.997286|2.218650|2.118809|1.854415|1.717816|1.773913|3.651383|0.301141|0.300111|0.500000| |7.154989|8.983317|0.212778|17.540443|8.871093|7.055506|4.534162|3.985767|3.740967|6.934534|7.697896|4.190996|6.939517|3.293319|0.092049|2.987131|3.328697|2.355787|2.678036|2.587755|2.163248|2.828908|0.052135|0.060593|2.105735|2.493171|2.146838|3.423044|2.117353|1.883911|1.890684|2.133633|4.134301|2.221738|2.544569|2.541430|2.215740|1.992597|1.999529|4.029968|0.215154|0.144343|0.176949|0.500000| |6.885797|8.863803|0.174066|17.476198|8.818450|6.819349|4.569019|3.749900|3.716682|7.767373|9.602221|4.723828|7.130248|3.859412|0.114607|3.421944|3.766194|2.680704|3.011616|2.921376|2.374558|3.005323|0.055033|0.063394|2.225938|2.658033|2.359264|3.722507|2.292998|2.000448|1.991662|2.275047|4.510530|2.357964|2.755264|2.716134|2.306762|2.057650|2.080668|4.158387|0.169118|0.140904|0.205822|0.304917|0.500000| |4.418862|6.581926|0.165843|8.792143|17.557503|8.873624|6.938671|5.877320|4.560882|13.001752|9.284128|4.966107|7.296502|4.282165|0.120073|4.378450|4.507384|2.947200|3.181258|2.822794|2.311856|2.995360|0.054775|0.062007|2.335206|2.864005|2.850587|4.322403|2.915751|2.501005|2.568275|3.090532|6.139305|3.345284|4.218474|4.146815|3.271202|2.810383|2.843702|5.445442|0.110324|0.105494|0.116812|0.173453|0.212197|0.500000| |4.576724|6.881515|0.209307|8.880189|17.540461|8.820515|6.511307|6.699465|4.444465|9.670603|7.801550|4.507410|7.339059|3.634407|0.096700|3.649814|3.879764|2.574591|2.854386|2.563332|2.148465|2.868298|0.052710|0.060427|2.238672|2.721304|2.539966|3.932223|2.620029|2.316333|2.391651|2.797441|5.364695|3.015146|3.586197|3.592549|3.021204|2.656313|2.662811|5.202151|0.122309|0.109293|0.112066|0.209837|0.173654|0.303938|0.500000| |3.694509|4.533680|0.122567|6.756112|8.848689|17.521192|8.848476|6.719061|7.062514|10.125337|5.142539|3.060262|5.049964|2.640961|0.073827|2.606884|2.965072|2.029933|2.189019|2.059285|1.772985|2.336589|0.043722|0.049088|1.775813|2.064058|1.974301|3.137500|2.025632|1.836330|1.907051|2.180441|4.068334|2.386238|2.809458|3.009007|2.644924|2.285461|2.200829|4.345976|0.106015|0.086500|0.097752|0.207125|0.163730|0.174189|0.216212|0.500000| |3.748171|4.582196|0.113819|7.142100|8.869280|17.482060|8.916907|5.501528|7.056654|12.798193|5.590426|3.215725|5.074778|2.863638|0.083134|2.810233|3.191161|2.192476|2.330662|2.203414|1.873187|2.414733|0.045068|0.050243|1.824180|2.124460|2.086523|3.295478|2.118510|1.892434|1.952168|2.255084|4.283540|2.462771|2.969837|3.164840|2.694698|2.300964|2.229890|4.367921|0.102054|0.086969|0.105371|0.184966|0.212648|0.206879|0.173870|0.304286|0.500000| |2.755134|3.379296|0.098891|4.090566|5.687341|6.876735|8.804063|17.556887|6.778909|10.242426|4.194079|2.699981|4.557618|2.415811|0.065458|2.540719|2.921590|1.935985|2.040490|1.861004|1.633312|2.198220|0.041395|0.045796|1.715353|1.984859|2.015959|3.190138|2.157457|2.000942|2.155001|2.485171|4.427376|2.850838|3.353471|3.812437|3.485493|2.938379|2.720736|5.273882|0.077221|0.068976|0.071481|0.113655|0.099570|0.138906|0.181114|0.201217|0.140524|0.500000| |2.393537|2.903727|0.082770|3.410718|4.653452|5.473953|8.848311|17.577097|7.090267|12.864214|3.837206|2.516784|4.171768|2.354434|0.064365|2.565261|2.991017|1.948031|1.995284|1.800491|1.587995|2.125066|0.040155|0.043725|1.671333|1.923561|2.090138|3.287315|2.289110|2.135813|2.360697|2.776538|4.815277|3.362514|4.113162|5.221512|4.825085|3.737481|3.273557|6.113002|0.065456|0.060851|0.063484|0.090502|0.087388|0.128784|0.136163|0.139796|0.123879|0.300898|0.500000| |2.935972|3.788660|0.110811|4.433262|6.805474|6.700041|8.796268|17.593452|5.516207|13.220088|5.008131|3.228114|5.298630|2.927637|0.078475|3.217532|3.580955|2.296469|2.399381|2.122699|1.836718|2.465698|0.046042|0.050950|1.958258|2.315570|2.456715|3.792233|2.684646|2.440887|2.663684|3.204572|5.744370|3.796966|4.769779|5.420909|4.507161|3.669731|3.461300|6.431804|0.079012|0.074219|0.076021|0.112781|0.107428|0.190681|0.222822|0.161125|0.139152|0.300498|0.302453|0.500000| |2.529588|2.910508|0.076756|3.752672|4.548736|6.974582|8.770476|5.505287|17.514742|12.506987|3.737818|2.336521|3.794871|2.184071|0.062786|2.229035|2.641449|1.801865|1.855384|1.751188|1.536464|1.999113|0.037870|0.041244|1.518540|1.724075|1.787989|2.858819|1.857821|1.705214|1.799255|2.059946|3.759723|2.319972|2.773018|3.171369|2.839845|2.363802|2.190956|4.283475|0.070040|0.062034|0.070785|0.102927|0.107007|0.119943|0.110671|0.176888|0.214536|0.139234|0.143061|0.123028|0.500000| |2.243091|2.608480|0.071065|3.191312|4.021347|5.510505|8.822837|6.949731|17.569955|12.840256|3.413759|2.197559|3.608166|2.077728|0.058667|2.185414|2.605505|1.746826|1.779795|1.653212|1.463703|1.926480|0.036603|0.039605|1.482820|1.679954|1.798361|2.870141|1.912392|1.779275|1.918678|2.206920|3.917083|2.566064|3.078641|3.738836|3.468118|2.788793|2.488072|4.799261|0.061899|0.056223|0.061522|0.086668|0.087175|0.109325|0.105285|0.142466|0.143902|0.166762|0.213982|0.142935|0.300884|0.500000| |2.488046|2.873918|0.078757|3.644562|4.507112|6.826607|8.767580|6.880252|17.566295|10.094568|3.578015|2.269085|3.774625|2.078839|0.058386|2.127744|2.514849|1.709688|1.780548|1.672723|1.477289|1.951882|0.037024|0.040528|1.490363|1.691430|1.722010|2.762553|1.803877|1.673909|1.777346|2.019529|3.635762|2.280321|2.672359|3.062163|2.829878|2.381752|2.190073|4.309865|0.070439|0.061380|0.067604|0.104402|0.097344|0.112168|0.119039|0.208943|0.170581|0.200605|0.175047|0.139533|0.301884|0.300863|0.500000| |2.755722|3.336049|0.086398|4.214766|5.564909|7.103898|9.754008|5.989435|7.676793|35.718738|4.624772|2.854865|4.452207|2.753805|0.080275|2.914002|3.372174|2.235702|2.257919|2.073452|1.785058|2.297949|0.043142|0.046880|1.770439|2.048732|2.246263|3.503241|2.357554|2.109995|2.238951|2.662779|4.952161|3.065699|3.949458|4.573482|3.688521|2.944534|2.767206|5.220869|0.072789|0.068103|0.077369|0.104214|0.122105|0.174601|0.128321|0.146196|0.210416|0.130584|0.154375|0.151759|0.221994|0.193060|0.150698|0.500000| |6.208998|8.973360|0.183714|7.465321|6.383520|4.479488|3.688250|3.332258|2.940089|7.012556|26.063195|9.439321|10.885385|7.558121|0.236778|5.944656|5.817504|4.087385|4.792355|4.311309|3.206553|3.959055|0.070139|0.082061|3.008353|3.861030|3.345158|5.074822|3.120478|2.579866|2.489346|2.893410|6.144605|2.866020|3.339249|3.039700|2.503825|2.282059|2.408575|4.806213|0.132261|0.152734|0.174049|0.147470|0.215256|0.212155|0.150059|0.106283|0.124579|0.085349|0.080459|0.103227|0.081730|0.073514|0.075517|0.106348|0.500000| |3.332250|4.130068|0.118337|3.522035|3.753050|2.956581|2.833512|2.925945|2.312546|5.475426|7.504169|7.018935|10.642405|8.703713|0.175183|17.606859|12.255493|6.054368|6.433686|4.320801|3.479955|4.734732|0.083065|0.093578|4.271277|6.198221|7.059966|9.065693|6.670662|4.759114|4.264397|5.064003|12.796003|4.283174|4.460448|3.506958|2.919570|2.860625|3.321694|6.758593|0.080418|0.095071|0.086177|0.083457|0.091121|0.121454|0.107960|0.073795|0.076772|0.074758|0.074803|0.096146|0.061478|0.061344|0.060091|0.078916|0.145823|0.500000| |3.314625|4.129160|0.109419|3.763074|4.074085|3.252521|3.140965|3.077489|2.541909|6.446411|7.892331|6.245683|8.447882|8.704147|0.225445|17.641116|12.222074|6.103458|5.709524|4.169996|3.283152|4.160132|0.074137|0.081335|3.489332|4.600976|6.195902|8.038312|5.843146|4.177723|3.904221|4.889683|12.631557|4.419830|5.072480|3.951263|3.128284|2.948399|3.348453|6.577393|0.079184|0.090852|0.089819|0.086511|0.102454|0.141926|0.108909|0.078292|0.086961|0.076270|0.078914|0.099388|0.068742|0.067385|0.064393|0.094699|0.179169|0.302749|0.500000| |2.506627|2.675747|0.072446|2.339874|2.303339|1.980854|1.896162|1.879033|1.659207|3.650354|4.516502|4.049568|6.666681|5.732880|0.146905|5.791632|12.492907|17.718269|8.554479|6.272507|6.098934|7.418914|0.131476|0.122940|6.767413|6.951703|7.759033|15.365931|4.857906|3.899103|3.121468|3.182980|7.118320|2.667764|2.642671|2.242111|1.986706|1.992202|2.260568|4.906203|0.061265|0.074306|0.069034|0.058107|0.064795|0.070606|0.063178|0.050787|0.054252|0.049086|0.049518|0.057481|0.045575|0.044501|0.043510|0.055546|0.092461|0.136515|0.130634|0.500000| |2.818759|3.029412|0.078921|2.674037|2.603089|2.226372|2.108022|2.034686|1.833405|4.128646|5.346658|4.616634|6.972723|7.214603|0.221619|6.636855|12.390801|17.523130|8.791047|6.996926|5.585361|6.006296|0.105719|0.106889|4.745110|5.493753|6.067562|9.851925|4.321877|3.395058|2.894176|3.111654|7.055876|2.717387|2.818757|2.408073|2.085824|2.039046|2.275253|4.804250|0.067523|0.081887|0.079842|0.065077|0.076032|0.081398|0.069356|0.056200|0.061987|0.052607|0.053234|0.061977|0.050927|0.048833|0.047583|0.063643|0.115358|0.138466|0.160762|0.302704|0.500000| |3.541884|3.482099|0.088158|2.914193|2.633109|2.232766|2.027465|1.933570|1.779313|3.828747|6.016281|5.277060|8.267425|6.796838|0.215346|4.693464|6.537056|6.877758|8.767929|17.559884|8.993354|7.625058|0.127068|0.143831|4.869665|5.499443|3.701472|6.278884|2.972177|2.495206|2.219038|2.370408|5.058482|2.165468|2.280730|2.033537|1.784841|1.724748|1.871494|3.959045|0.082391|0.108190|0.103155|0.071809|0.083803|0.078929|0.069716|0.057435|0.062838|0.051075|0.049775|0.058105|0.049843|0.046575|0.046899|0.059437|0.123481|0.109301|0.115066|0.158939|0.214044|0.500000| |4.284738|4.039617|0.104958|3.150860|2.771518|2.299820|2.053469|1.989012|1.791293|3.777503|6.768229|6.540893|11.653017|6.852810|0.179081|4.511550|5.814853|5.453930|8.831701|17.533026|8.891622|9.387626|0.144243|0.206194|5.660230|6.801298|3.427488|5.801252|2.836952|2.417820|2.166273|2.303673|4.846494|2.113858|2.215537|1.986339|1.754786|1.699898|1.840311|3.906050|0.097961|0.143084|0.118296|0.078597|0.087347|0.080822|0.075141|0.060109|0.063608|0.053323|0.050673|0.060125|0.049684|0.046562|0.047814|0.057841|0.125778|0.113346|0.106884|0.131434|0.143560|0.303348|0.500000| |2.560261|2.543780|0.068005|2.189933|2.057818|1.789801|1.673376|1.637542|1.490809|3.142975|4.108092|3.616663|6.278773|4.451991|0.121162|3.753470|5.972009|6.504775|6.679577|8.739207|17.625505|12.444007|0.224188|0.181184|6.956777|5.717448|3.819430|7.270864|2.958767|2.575950|2.209408|2.253006|4.713742|1.998783|2.019386|1.790890|1.611096|1.597252|1.755250|3.817941|0.062737|0.078411|0.071760|0.055547|0.061361|0.061015|0.056080|0.046713|0.049655|0.043547|0.042881|0.049157|0.041371|0.039625|0.039585|0.048410|0.082358|0.093311|0.090104|0.204164|0.173261|0.213714|0.173029|0.500000| |2.817897|2.661559|0.070685|2.254701|2.055247|1.788367|1.642797|1.598441|1.471513|3.035503|4.163744|3.611147|6.489293|4.031915|0.110972|3.229184|4.679191|4.556299|5.451356|8.758051|17.624054|12.363723|0.223309|0.223747|5.571199|4.888191|2.989106|5.464106|2.453869|2.168113|1.916539|1.972454|4.049155|1.793737|1.835194|1.657590|1.495986|1.470586|1.592497|3.448725|0.069066|0.088806|0.079553|0.057927|0.063319|0.059725|0.055909|0.047182|0.049833|0.042954|0.041556|0.047626|0.040991|0.038800|0.039385|0.046901|0.081819|0.082246|0.079146|0.127813|0.124635|0.212203|0.215596|0.301200|0.500000| |2.403192|2.491095|0.069539|2.134546|2.072529|1.786858|1.698105|1.710987|1.498598|3.176802|3.992692|3.651497|6.683173|4.429804|0.107648|4.204196|7.055075|6.625455|6.661059|5.704091|6.927757|12.380047|0.223075|0.180912|17.644416|8.703643|5.107038|10.695624|3.791698|3.344867|2.722463|2.679326|5.624672|2.280116|2.222683|1.928733|1.749321|1.772620|1.994476|4.418719|0.059741|0.073494|0.064659|0.054259|0.057957|0.061560|0.058151|0.046775|0.048451|0.045563|0.045011|0.052173|0.040908|0.040115|0.039909|0.048020|0.077883|0.112730|0.095603|0.238849|0.141976|0.128060|0.131565|0.208871|0.142809|0.500000| |2.503277|2.567048|0.073695|2.159226|2.080916|1.784361|1.682556|1.716521|1.484377|3.087185|3.975395|3.675166|7.304825|4.010845|0.094919|3.727637|5.547489|4.629848|5.448862|4.881219|5.579175|12.365189|0.222917|0.224724|17.627528|8.792380|4.017043|7.743496|3.292536|2.995605|2.525926|2.486914|5.073714|2.156504|2.102867|1.847768|1.689870|1.713456|1.912498|4.250036|0.062962|0.078215|0.065673|0.055620|0.057539|0.060611|0.059467|0.047310|0.047890|0.046311|0.044911|0.052427|0.040266|0.039578|0.039929|0.046331|0.074983|0.106660|0.085517|0.140816|0.104732|0.107511|0.127576|0.143306|0.126489|0.301470|0.500000| |3.630418|3.830557|0.111306|2.983986|2.807172|2.291248|2.099709|2.130321|1.803743|3.834093|6.262958|6.771686|15.469165|6.757242|0.140784|5.405040|6.841026|5.515796|8.795028|6.798017|5.687684|9.436827|0.144737|0.208344|8.891160|17.645331|4.315042|7.233561|3.586211|3.055246|2.670379|2.790386|5.906679|2.472144|2.504222|2.186834|1.945406|1.926140|2.135870|4.591019|0.087284|0.117812|0.091868|0.074906|0.077860|0.082056|0.080593|0.060211|0.060961|0.057327|0.054437|0.066172|0.048801|0.047354|0.048379|0.057064|0.110632|0.157923|0.116619|0.139671|0.123170|0.138892|0.198884|0.132121|0.128032|0.172736|0.216003|0.500000| |2.965457|3.280010|0.094706|2.714297|2.690693|2.225168|2.105305|2.161545|1.802325|3.933092|5.479936|5.503763|10.340502|6.676435|0.137972|6.884718|9.942119|7.068643|8.722640|5.504527|4.874815|7.651152|0.127295|0.144928|9.041937|17.611806|6.710165|10.996908|5.134498|4.182409|3.428671|3.520996|7.781239|2.942078|2.884633|2.429017|2.154994|2.173011|2.484514|5.388267|0.072527|0.090438|0.076851|0.067537|0.071372|0.081043|0.077334|0.057708|0.058968|0.057242|0.056062|0.067888|0.048501|0.047955|0.047855|0.058190|0.102633|0.211769|0.137930|0.185299|0.141239|0.122773|0.139142|0.128140|0.107612|0.213208|0.213790|0.305492|0.500000| |1.831732|2.041523|0.058185|1.898380|2.022652|1.804167|1.842343|1.938153|1.622694|3.553748|3.180755|2.611804|4.501543|3.018107|0.076284|3.790700|6.144909|3.646414|3.128263|2.538645|2.452323|3.482520|0.067318|0.065751|3.161208|3.339932|6.616013|12.214223|8.851564|17.818190|8.487333|5.841826|10.452603|4.054868|3.336708|2.712437|2.550143|2.821167|3.541709|8.617388|0.046977|0.052293|0.049029|0.048239|0.050921|0.061683|0.057860|0.046624|0.047861|0.050326|0.053150|0.060036|0.043298|0.044958|0.042607|0.052518|0.064707|0.112030|0.098035|0.106854|0.088902|0.066481|0.064581|0.071701|0.059848|0.096174|0.085593|0.081761|0.111475|0.500000| 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|2.563214|3.173128|0.087611|3.240695|3.975382|3.485358|3.844059|3.992698|3.049748|8.565059|5.078900|3.616993|5.563505|3.933106|0.106010|5.329197|5.988303|3.379485|3.174365|2.609502|2.240613|2.946811|0.054682|0.058457|2.435713|2.925765|4.166305|5.892084|5.044640|4.166771|4.706824|7.062874|13.850805|8.932859|17.762888|8.960617|5.662635|4.961824|5.690662|9.588603|0.064897|0.068197|0.069033|0.077633|0.086742|0.138492|0.109523|0.082674|0.089945|0.092685|0.108481|0.133109|0.079435|0.084612|0.074990|0.117925|0.112128|0.151049|0.192963|0.082820|0.091174|0.072234|0.069441|0.062140|0.056204|0.067559|0.063172|0.077547|0.089567|0.093944|0.110095|0.500000| 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