Version2.0 2020-07-18T14:54:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 26-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@]1(C(=O)N(C(=O)N1)CC(=O)NC[C@H](c2ccc(cc2)OC)[NH+]3CCCCC3)c4ccc(cc4)OC C27667419 RHF 6-31G(d) (6D,7F) C[C@@]1(C(=O)N(C(=O)N1)CC(=O)NC[C@H](c2ccc(cc2)OC)[NH+]3CCCCC3)c4ccc(cc4)OC C01[X(C27H35N4O5)] 207 C1 610 COc1ccc(cc1)[C@H]([NH+]1CCCCC1)CNC(=O)CN1C(=O)N[C@@](C1=O)(C)c1ccc(cc1)OC COc1ccc(cc1)[C@H]([NH+]1CCCCC1)CNC(=O)CN1C(=O)N[C@@](C1=O)(C)c1ccc(cc1)OC COc1ccc(cc1)[C@@H](CNC(=O)CN2C(=O)N[C@](C)(C2=O)c3ccc(OC)cc3)[NH+]4CCCCC4 InChIKey=NRBXMRVHTJIDDH-KCWPFWIISA-O InChI=1S/C27H34N4O5/c1-27(20-9-13-22(36-3)14-10-20)25(33)31(26(34)29-27)18-24(32)28-17-23(30-15-5-4-6-16-30)19-7-11-21(35-2)12-8-19/h7-14,23H,4-6,15-18H2,1-3H3,(H,28,32)(H,29,34)/p+1/t23-,27+/m1/s1 InChI=1/C27H34N4O5/c1-27(20-9-13-22(36-3)14-10-20)25(33)31(26(34)29-27)18-24(32)28-17-23(30-15-5-4-6-16-30)19-7-11-21(35-2)12-8-19/h7-14,23H,4-6,15-18H2,1-3H3,(H,28,32)(H,29,34)/p+1/t23-,27+/m1/s1/fC27H35N4O5/h28-30H/q+1 C[C@@]1(C(=O)N(C(=O)N1)CC(=O)NC[C@H](c2ccc(cc2)OC)[NH+]3CCCCC3)c4ccc(cc4)OC C01[X(C27H35N4O5)] 207 C01 610 COc1ccc(cc1)[C@H]([NH+]1CCCCC1)CNC(=O)CN1C(=O)N[C@@](C1=O)(C)c1ccc(cc1)OC CO[C]1[CH][CH][C]([CH][CH]1)[C@H]([NH]1CCCCC1)CNC(=O)CN1C(=O)N[C@@](C1=O)(C)[C]1[CH][CH][C]([CH][CH]1)OC CO[C]1[CH][CH][C]([CH][CH]1)[C@@H](CNC(=O)CN2C(=O)N[C@@](C)([C]3[CH][CH][C]([CH][CH]3)OC)C2=O)[NH]4CCCCC4 InChIKey=FTERUJYOIGGBMG-KCWPFWIISA-N InChI=1S/C27H35N4O5/c1-27(20-9-13-22(36-3)14-10-20)25(33)31(26(34)29-27)18-24(32)28-17-23(30-15-5-4-6-16-30)19-7-11-21(35-2)12-8-19/h7-14,23,30H,4-6,15-18H2,1-3H3,(H,28,32)(H,29,34)/t23-,27+/m1/s1 InChI=1/C27H35N4O5/c1-27(20-9-13-22(36-3)14-10-20)25(33)31(26(34)29-27)18-24(32)28-17-23(30-15-5-4-6-16-30)19-7-11-21(35-2)12-8-19/h7-14,23,30H,4-6,15-18H2,1-3H3,(H,28,32)(H,29,34)/t23-,27+/m1/s1/f/h28-29H 4100.7065529937 -1634.8073305 1-A 18973.5618 132 478 610 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.68397 -20.66895 -20.64741 -20.64260 -20.61622 -15.82139 -15.70706 -15.70523 -15.67421 -11.47222 -11.46356 -11.46017 -11.42166 -11.41117 -11.40679 -11.40606 -11.39916 -11.39022 -11.38311 -11.38152 -11.36604 -11.35808 -11.35734 -11.35543 -11.35495 -11.35057 -11.34509 -11.34408 -11.33652 -11.32684 -11.32452 -11.32297 -11.32135 -11.31217 -11.30972 -11.30888 -1.52995 -1.51614 -1.51087 -1.49864 -1.49473 -1.45897 -1.39580 -1.35921 -1.32008 -1.27115 -1.23996 -1.22611 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0.84139 0.84455 0.85423 0.86004 0.86872 0.87161 0.87684 0.88244 0.88698 0.89717 0.90257 0.90720 0.91147 0.91666 0.92145 0.92717 0.93425 0.94474 0.94655 0.95062 0.96760 0.96981 0.97627 0.98904 0.98931 0.99367 1.00081 1.00103 1.01125 1.01323 1.01821 1.02538 1.02906 1.03157 1.03347 1.03886 1.04328 1.04419 1.05024 1.05237 1.05497 1.05762 1.06095 1.06208 1.06644 1.07209 1.07736 1.08151 1.08382 1.08958 1.09141 1.09380 1.09812 1.10200 1.11004 1.11142 1.11567 1.12161 1.12600 1.12807 1.13333 1.13776 1.14084 1.14404 1.14958 1.15659 1.15787 1.16554 1.17669 1.18425 1.18926 1.19565 1.20392 1.20939 1.22703 1.23952 1.24148 1.24750 1.25197 1.25896 1.26402 1.26905 1.27433 1.28923 1.29419 1.29975 1.30901 1.31870 1.32569 1.33778 1.34626 1.35097 1.35263 1.36397 1.37055 1.37764 1.38608 1.38686 1.39633 1.41280 1.42357 1.43105 1.43969 1.45912 1.46617 1.47238 1.47704 1.48688 1.49132 1.49838 1.50617 1.52334 1.53077 1.54556 1.55217 1.55842 1.57338 1.57710 1.59019 1.60286 1.60710 1.61398 1.62066 1.62661 1.63328 1.64197 1.65461 1.65677 1.66891 1.67857 1.68332 1.69282 1.70481 1.71062 1.71458 1.71773 1.73104 1.73275 1.75421 1.76961 1.79265 1.80564 1.81270 1.82374 1.83737 1.84808 1.85602 1.86502 1.88363 1.88860 1.90392 1.91113 1.93552 1.95025 1.95572 1.97408 1.98074 1.99047 1.99209 2.00270 2.01510 2.01841 2.02584 2.03139 2.04361 2.04458 2.04857 2.05125 2.05448 2.05776 2.05884 2.06555 2.08051 2.09094 2.09258 2.09466 2.10110 2.10272 2.10903 2.11525 2.12238 2.13498 2.14532 2.14994 2.15450 2.16242 2.18161 2.18583 2.18899 2.19686 2.19983 2.21337 2.22266 2.22445 2.22789 2.23022 2.23307 2.24311 2.25374 2.26580 2.27797 2.28808 2.30537 2.31143 2.31240 2.32698 2.33368 2.33903 2.34120 2.34352 2.35695 2.35841 2.36162 2.36650 2.36780 2.38102 2.38895 2.39082 2.39596 2.39952 2.40769 2.42546 2.45041 2.45423 2.46844 2.46999 2.48299 2.49026 2.49396 2.49912 2.50944 2.51309 2.51942 2.52421 2.53136 2.53764 2.54401 2.55516 2.56606 2.57580 2.58396 2.59228 2.60201 2.60382 2.60757 2.61151 2.61860 2.62785 2.63129 2.64143 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25.4447 14.2713 12.9168 2.1169 1.4298 2.8855 2.0594 11.1124 5.5263 97.1117 53.9648 5.3239 3.6742 13.6058 12.5030 167.9030 100.8325 29.3266 103.8549 105.4558 81.9498 69.1358 98.2763 128.9282 47.5314 18.9860 43.7456 25.2543 122.3240 75.0437 42.7209 50.8153 44.3748 62.1433 125.2409 14.8607 144.9056 50.4771 34.0715 68.6723 47.4550 70.8496 44.9543 104.8803 95.8322 111.6359 19.2805 35.4928 75.4763 0.7419 0.7348 0.7279 0.6756 0.7388 0.7153 0.7301 0.7500 0.7487 0.7063 0.7498 0.7240 0.7494 0.7335 0.5969 0.4368 0.3579 0.7136 0.6376 0.4037 0.6738 0.3232 0.1283 0.4123 0.2076 0.1472 0.1112 0.5280 0.3217 0.4752 0.7032 0.2244 0.1921 0.6091 0.7319 0.7183 0.5196 0.5437 0.7124 0.5974 0.7336 0.6397 0.6871 0.2271 0.1854 0.4448 0.4382 0.2558 0.7288 0.2949 0.3931 0.1382 0.3100 0.0852 0.4202 0.4786 0.1258 0.7496 0.7037 0.1003 0.3864 0.2431 0.5430 0.2368 0.5272 0.5852 0.1033 0.0426 0.5281 0.7241 0.0748 0.1861 0.1522 0.1008 0.4053 0.7014 0.2258 0.4797 0.2943 0.3536 0.1213 0.3587 0.2406 0.1149 0.6057 0.3975 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0.7836 0.8490 0.6501 0.6729 0.6729 0.5748 0.3976 0.8233 0.2857 0.0537 0.5553 0.0435 0.0391 0.1523 0.7580 0.5651 0.5162 0.7899 0.3491 0.8555 0.2770 0.1395 0.8559 0.8449 0.7688 0.8512 0.2979 0.6696 0.6799 0.6382 0.5777 0.8495 0.6654 0.5652 0.2371 0.8433 0.3072 0.4311 0.2582 0.3862 0.3775 0.4293 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 6 6 6 8 7 6 8 7 6 6 8 7 6 6 1 6 6 6 6 6 6 8 6 7 1 6 6 6 6 6 6 6 6 6 6 6 8 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 1 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 1.00783 14386.5074 24151.8983 29353.0886 0.99992 -0.00844 0.00899 0.00826 0.99977 0.01976 -0.00915 -0.01969 0.99976 1 0.00602 0.00359 0.00295 0.12545 0.07472 0.06148 13.84 18.49 34.82 43.18 51.46 58.47 60.14 77.11 82.96 87.46 102.94 130.15 149.95 162.27 168.87 199.57 230.69 253.52 263.78 275.11 284.23 330.25 356.47 366.91 384.41 385.89 394.17 400.98 422.69 454.75 460.36 488.12 497.94 512.04 524.26 536.93 543.71 591.79 608.70 628.70 650.87 673.03 674.29 687.60 697.33 712.93 725.92 740.35 770.44 789.22 814.23 856.88 863.58 877.98 921.94 937.51 970.31 1003.30 1005.27 1014.04 1063.51 1111.89 1147.68 1158.88 1164.40 1188.53 1209.94 1231.71 1238.46 1254.82 1265.85 1293.15 1324.04 1335.42 1339.69 1343.44 1370.78 1372.64 1377.71 1383.84 1423.06 1443.43 1485.28 1489.01 1527.17 1549.41 1553.47 1558.31 1588.80 1589.24 1591.13 1603.73 1607.18 1618.64 1624.78 1647.35 1672.98 1676.55 1681.67 1686.59 1716.17 1726.25 1753.40 1759.79 1774.48 1781.53 1822.57 1825.87 1856.23 1859.12 1860.06 1862.81 1879.79 1880.24 1891.92 1900.88 1916.73 1921.96 1941.03 1955.29 1986.36 1990.41 2022.18 2029.57 2034.19 2070.05 2074.84 2087.47 2107.68 2114.07 2129.34 2137.37 2149.70 2168.52 2199.75 2214.03 2216.87 2230.04 2239.22 2239.71 2253.09 2254.98 2273.73 2275.00 2288.57 2304.55 2308.43 2335.46 2342.74 2347.03 2347.22 2350.04 2354.24 2362.98 2365.36 2372.32 2374.13 2374.63 2376.19 2381.38 2386.37 2394.19 2444.70 2448.82 2456.82 2541.40 2554.93 2606.74 2619.25 2801.46 2830.36 2942.37 4603.09 4607.63 4627.28 4632.35 4632.70 4645.97 4696.23 4703.04 4709.70 4718.84 4724.63 4726.23 4731.72 4732.18 4742.74 4748.69 4770.21 4783.90 4794.38 4799.43 4806.39 4809.74 4823.46 4854.84 4862.26 4867.46 4877.02 4886.32 4888.70 4901.32 4913.07 4913.25 5306.89 5578.72 5602.04 0.650524 0.682640 0.683584 0.582641 -1634.156806 -1634.124691 -1634.123747 -1634.224689 3.385611D-04 MUNgauss RevisionA2.0 retrievium 18-Jul-2020 DUDE C[C@@]1(C(=O)N(C(=O)N1)CC(=O)NC[C@H](c2ccc(cc2)OC)[NH+]3CCCCC3)c4ccc(cc4)OC C27667419 RHF 6-31G(d) (6D,10F) C1 495.260746 |X|Y|Z| 74.388023 52.127822 103.550015 73.774723 28 6 7 24 4 |36.858105| |12.425822|36.858105| |7.649410|12.432254|36.858105| |6.189570|7.773486|15.923723|73.516695| |5.682682|8.154264|14.016386|14.935436|53.358707| |5.595216|8.069712|8.312826|9.854809|18.497260|36.858105| |4.249209|5.417439|5.567170|7.507203|11.289601|16.031885|73.516695| |7.736130|13.085769|8.341099|9.795254|11.819400|14.120779|14.750664|53.358707| |4.073495|5.116038|7.754606|11.935878|18.036861|7.604703|11.714137|7.252394|36.858105| |3.514505|4.474163|6.473854|11.459260|10.754780|5.494566|8.687594|5.965375|12.513353|36.858105| |3.446575|4.578038|6.061088|10.276430|9.381228|5.435007|8.603443|6.161366|8.002319|15.852926|73.516695| |3.006066|3.575376|4.904681|9.630351|7.321950|4.028344|6.580549|4.638835|7.773493|14.080567|15.163358|53.358707| |2.649792|3.114121|3.997050|8.022636|5.549376|3.274304|5.385502|3.971174|5.041810|7.926641|12.563865|17.988284|36.858105| |2.846332|3.321207|4.234399|9.164705|5.345192|3.147511|5.005306|4.010457|4.383183|6.186055|10.669136|10.572868|12.285042|36.858105| |3.364224|4.061645|5.404137|12.347016|6.430586|3.662129|5.626837|4.724033|5.016115|7.112442|12.650886|10.320312|8.864871|17.676150|0.500000| |2.689139|2.972022|3.724260|8.293278|4.630190|2.751220|4.395284|3.553986|3.756814|4.667081|7.576356|8.087409|7.490272|12.597189|0.249509|36.858105| |3.011569|3.214883|4.038558|9.532598|4.770759|2.810611|4.405587|3.713575|3.697935|4.233478|6.801753|6.728038|5.261324|7.583189|0.207238|13.651310|36.858105| |2.685427|2.747795|3.305454|7.389177|3.990783|2.424930|3.861615|3.226000|3.075755|3.340124|5.382032|5.232950|3.993818|5.029334|0.134686|7.895534|13.834732|36.858105| |2.257338|2.319029|2.735212|5.828891|3.428551|2.128526|3.461954|2.803595|2.699292|2.951524|4.784537|4.732839|3.731703|4.416798|0.111273|6.800491|7.921271|13.665830|36.858105| |2.110159|2.220769|2.628868|5.503514|3.372401|2.100535|3.454042|2.730547|2.719941|3.084593|5.026310|5.137753|4.320363|4.986050|0.116492|7.864494|6.870499|7.924212|13.687599|36.858105| |2.263650|2.453329|2.965907|6.263360|3.817808|2.342998|3.836528|3.015383|3.133838|3.761823|6.144127|6.564155|6.118487|7.489084|0.155462|13.718020|7.981203|6.909289|7.939950|13.755389|36.858105| |2.061945|2.073485|2.385250|4.958891|3.009332|1.905104|3.122594|2.527145|2.339593|2.484386|4.057601|3.871318|2.974485|3.375850|0.087593|4.610027|5.312851|8.232953|14.282094|7.890919|5.218229|73.516695| |1.796807|1.813885|2.059994|4.177657|2.649312|1.703347|2.829532|2.249626|2.074134|2.203783|3.627074|3.433513|2.663214|2.911877|0.074585|3.772349|3.982672|5.252700|8.000811|6.701183|4.508242|24.074384|36.858105| |2.519375|2.930471|3.467582|7.080546|4.385211|2.740542|4.428417|3.582633|3.434018|4.587441|8.837621|6.971085|7.540672|12.398113|0.255109|7.470771|5.339709|4.010574|3.704088|4.231713|5.912022|5.255747|2.632866|53.358707| |2.248309|2.581234|3.020232|6.024471|3.937257|2.498834|4.120153|3.231048|3.151792|4.156039|7.859124|6.541891|7.391220|9.167453|0.183654|6.539596|4.597721|3.659782|3.561372|4.263837|6.018693|5.106711|2.628014|25.702463|0.500000| |2.620989|3.162127|3.622399|7.003627|4.623996|2.977367|4.814265|3.923911|3.503824|4.714496|10.249047|6.375166|6.107725|7.579234|0.210172|4.952162|4.072269|3.190903|2.914157|3.186411|4.070758|4.318802|2.188505|17.123420|0.257308|36.858105| |2.234395|2.622272|2.859836|5.391418|3.695875|2.480575|4.100688|3.318530|2.767956|3.480777|7.307449|4.727917|4.320585|4.930431|0.132468|3.779220|3.216438|2.673555|2.517656|2.758249|3.369335|3.834609|1.986858|10.365474|0.200360|12.515715|36.858105| |2.136082|2.436423|2.607920|4.999803|3.285842|2.210701|3.629802|3.022338|2.417952|2.917985|5.854556|4.014127|3.566783|4.309463|0.116537|3.618703|3.188969|2.712388|2.560118|2.764101|3.274150|3.935058|2.037251|8.763727|0.165525|7.564462|12.472774|36.858105| |2.097536|2.345466|2.571208|5.082068|3.218619|2.120535|3.471025|2.876740|2.408402|2.904281|5.582957|4.174065|3.816373|4.888141|0.124570|4.380458|3.751952|3.202164|3.075430|3.391588|4.064639|4.640383|2.394259|10.388433|0.200890|6.558455|7.612420|12.469727|36.858105| |2.406073|2.708652|3.085132|6.360122|3.784090|2.410962|3.881283|3.248487|2.854874|3.526246|6.639461|5.200005|4.909784|7.436225|0.182278|6.581845|5.336090|4.206924|3.881288|4.286827|5.505363|5.561752|2.764777|17.200885|0.259510|7.733084|6.520859|7.511670|12.491082|36.858105| |7.390294|12.451883|7.600532|11.098599|7.585254|5.556979|7.544469|10.472131|4.092039|4.024450|7.900798|4.491634|3.053712|3.380677|0.115822|2.955690|3.145580|2.662973|2.259876|2.184060|2.433611|3.579978|1.768458|4.286148|0.075829|3.549988|2.975814|2.792586|2.609313|2.969923|36.858105| |4.923313|7.525957|6.191907|9.374908|7.114667|5.323432|7.629961|8.789655|4.092069|4.319029|9.289834|4.711548|3.286284|3.577850|0.121848|2.975407|3.018004|2.522654|2.185785|2.166936|2.462981|3.435461|1.717127|4.718158|0.083330|4.206080|3.512375|3.165278|2.836308|3.168011|13.608962|36.858105| |3.814640|5.003836|4.385965|7.242995|5.221113|3.873280|5.943063|6.068863|3.250619|3.545345|7.607623|4.088589|2.997809|3.323361|0.109202|2.779842|2.780605|2.353234|2.068909|2.066160|2.341986|3.268092|1.647017|4.686157|0.083104|4.335887|3.865136|3.559701|3.040778|3.255013|7.879717|13.864768|36.858105| |3.671488|4.393310|3.776023|6.483111|4.387920|3.220944|4.981235|5.125534|2.761985|2.950932|6.011596|3.539599|2.621057|2.975041|0.096079|2.597822|2.662898|2.300718|2.017991|1.987064|2.210215|3.223646|1.621971|4.234764|0.075430|3.709997|3.445764|3.416743|2.961774|3.119926|6.787174|7.924771|13.638590|36.858105| |4.408581|4.957465|4.031735|6.970302|4.486401|3.267246|4.952851|5.399314|2.759027|2.850296|5.582421|3.441655|2.498315|2.859511|0.093073|2.584209|2.747857|2.403926|2.074614|1.999470|2.188478|3.339858|1.664039|3.918571|0.069797|3.243029|2.942632|2.969692|2.711602|2.934670|7.861118|6.890279|7.948123|13.776709|36.858105| |6.499481|7.448363|5.338684|8.860594|5.557668|4.028258|5.834664|7.101946|3.234628|3.222235|6.181840|3.802397|2.665917|3.025505|0.100901|2.745584|2.983401|2.590115|2.195899|2.093733|2.290611|3.523508|1.738360|3.945756|0.070065|3.195064|2.781656|2.730866|2.565693|2.874481|13.794285|8.006753|6.915758|7.935265|13.680402|36.858105| |2.924184|3.357090|3.013096|5.270028|3.625674|2.662806|4.246985|4.087865|2.365745|2.553562|5.173313|3.142229|2.379074|2.684642|0.083749|2.368064|2.390793|2.098569|1.875669|1.862659|2.060513|3.018015|1.535701|3.964448|0.071918|3.478039|3.462136|3.561074|2.987386|2.992308|4.594222|5.304453|8.204322|14.187095|7.880764|5.200469|73.516695| |2.661978|2.902839|2.603843|4.607056|3.138349|2.303710|3.704725|3.534568|2.063822|2.191335|4.317835|2.747267|2.076890|2.342627|0.071882|2.133951|2.184737|1.962616|1.763889|1.735195|1.884946|2.877525|1.469487|3.433466|0.063121|2.875770|2.901120|3.098761|2.691891|2.664942|3.771212|3.988179|5.256928|8.011076|6.706020|4.503358|24.114885|36.858105| |17.587643|8.848563|7.061800|10.167482|8.011552|5.803265|7.992611|9.829617|4.276882|3.492248|5.884348|4.095438|2.592242|2.715011|0.087509|2.599628|2.905265|2.631519|2.230832|2.081991|2.215738|3.647779|1.794051|3.222955|0.059429|2.428315|2.074409|1.971386|1.953377|2.239802|5.447422|4.079616|3.232692|3.068419|3.531447|4.759592|4.489146|2.315367|0.500000| |17.582846|8.803889|5.534271|8.273262|6.165423|4.812912|6.864891|9.299522|3.405676|3.007170|5.356820|3.540106|2.339018|2.499458|0.080571|2.361960|2.607963|2.362119|2.020551|1.898163|2.023453|3.318341|1.644574|3.093785|0.056818|2.390852|2.086466|2.009336|1.953084|2.194695|6.723010|4.610224|3.716349|3.685130|4.523018|6.549159|5.250350|2.733706|0.301712|0.500000| |17.607289|8.774360|6.929041|11.680559|6.700085|4.503325|6.314299|7.633455|3.770803|3.380908|5.847685|4.067171|2.680237|2.968152|0.097812|2.875128|3.331168|2.989300|2.458508|2.255714|2.398575|3.994799|1.931119|3.562263|0.064384|2.666177|2.268502|2.207677|2.200356|2.553930|6.665869|4.531952|3.673049|3.670595|4.552701|6.657098|5.234473|2.722367|0.301136|0.299904|0.500000| |6.512983|8.747885|5.851851|7.684034|8.253938|9.310652|12.944420|26.058433|4.262819|3.647214|6.811333|3.986028|2.569823|2.590519|0.083079|2.313344|2.403290|2.120135|1.865280|1.820666|1.995238|3.018398|1.524314|3.229832|0.060016|2.617644|2.273163|2.083254|1.965059|2.177399|6.668978|5.860674|4.299268|3.692196|3.869120|4.916730|5.301194|2.599205|0.168652|0.183671|0.134458|0.500000| |3.574487|4.380925|5.751947|8.749717|12.685510|7.462922|13.786778|6.753006|17.619665|8.913600|12.069307|8.511422|4.363612|3.683895|0.112419|3.186996|3.088887|2.646840|2.385245|2.427794|2.764073|3.735324|1.896235|4.123205|0.079094|3.143814|2.565134|2.228229|2.195819|2.534355|3.591769|3.679301|2.985866|2.533461|2.501906|2.880984|3.914765|1.928033|0.105412|0.086033|0.090411|0.115219|0.500000| |3.932779|4.548367|6.760641|11.598476|12.484962|5.883508|9.276369|6.155479|17.606585|8.782416|10.438432|10.127868|4.805305|4.241592|0.131011|3.889221|3.939468|3.344261|2.922788|2.900870|3.277345|4.512971|2.233657|4.419917|0.083478|3.167890|2.538032|2.266843|2.308970|2.758385|3.623845|3.489420|2.854458|2.506900|2.551979|2.987765|3.856716|1.926054|0.118522|0.090664|0.104004|0.102976|0.300530|0.500000| |2.976041|3.406899|4.674890|9.392569|6.920087|3.794103|6.214725|4.394310|7.376845|9.368180|10.907709|26.052454|9.058670|6.522051|0.175337|5.934021|5.197757|4.174282|3.782739|4.040015|4.974044|5.496382|2.721312|5.962142|0.115524|3.885393|3.007144|2.645275|2.802253|3.480745|3.063548|3.100744|2.696605|2.389563|2.370450|2.639839|3.780892|1.888626|0.084459|0.071134|0.082958|0.077208|0.164699|0.234119|0.500000| |2.513808|2.998898|3.711313|7.091130|5.266344|3.237273|5.427321|3.918442|4.674004|7.368674|13.725388|12.668413|17.664084|8.663599|0.198259|5.520166|4.175021|3.304283|3.125748|3.581751|4.798119|4.572789|2.347704|10.020146|0.212157|6.972111|4.933633|3.792529|3.861777|4.664530|3.006587|3.361761|3.118596|2.671599|2.483364|2.608414|4.356087|2.113856|0.067877|0.062521|0.069640|0.071311|0.118006|0.117712|0.181807|0.500000| |2.357442|2.687094|3.353880|6.689374|4.677113|2.832409|4.745746|3.456634|4.226841|5.819436|9.131522|12.606147|17.639879|8.747934|0.175472|7.238030|4.957708|3.994514|3.961014|4.872621|7.083780|5.593361|2.877123|8.540807|0.190064|4.886142|3.795373|3.245092|3.580974|4.471795|2.619231|2.772111|2.569795|2.297270|2.207613|2.337882|3.765438|1.880789|0.064757|0.058341|0.066552|0.062973|0.105356|0.117327|0.225919|0.303623|0.500000| |3.600135|3.863367|4.982121|12.853124|5.508962|3.177423|4.847992|4.274569|4.072804|4.561496|7.393306|6.726637|4.946186|7.049937|0.231092|8.884767|17.716772|8.985290|5.647262|4.950899|5.659315|7.639228|3.332164|6.909652|0.117239|4.175116|3.240245|3.196576|3.605334|5.031590|3.765946|3.503786|3.154286|3.023282|3.184940|3.556377|4.699433|2.396549|0.094694|0.084657|0.113314|0.075706|0.092161|0.119044|0.140919|0.112466|0.122271|0.500000| |2.788822|2.760139|3.249996|7.212425|3.867534|2.375603|3.767210|3.208516|2.901184|3.033842|4.916319|4.568985|3.366711|4.096843|0.115002|5.618806|8.907629|17.746709|8.956661|5.655191|4.973347|13.521781|4.870912|4.615861|0.085871|2.830260|2.410751|2.465157|2.842196|3.594229|2.651284|2.452360|2.281185|2.263903|2.415328|2.625664|3.657691|1.947454|0.076131|0.068193|0.087988|0.058776|0.069675|0.088084|0.101173|0.079546|0.092226|0.215560|0.500000| |1.889536|1.980802|2.306037|4.710432|3.003358|1.902723|3.166816|2.470337|2.424782|2.721491|4.475091|4.477787|3.747967|4.080387|0.096456|5.631537|4.955136|5.627332|8.852618|17.770829|8.961492|12.490537|7.410671|4.976922|0.105879|2.839326|2.535346|2.545898|3.100318|3.702886|1.951112|1.947173|1.871031|1.802949|1.805448|1.876244|3.035796|1.600143|0.051995|0.047686|0.055657|0.046149|0.061270|0.071507|0.097216|0.089358|0.120038|0.107563|0.124067|0.500000| |2.086562|2.283207|2.725677|5.579359|3.592149|2.239587|3.720404|2.860380|2.983107|3.644047|6.060754|6.403180|6.394769|6.869718|0.139306|8.864082|5.644026|4.967803|5.666958|9.017099|17.672979|7.493546|3.922004|8.214001|0.191266|4.160071|3.531459|3.353119|4.147978|5.289128|2.279887|2.353124|2.259528|2.113811|2.060150|2.134258|3.542159|1.816291|0.056795|0.052283|0.060565|0.052949|0.074674|0.085145|0.130277|0.145282|0.227991|0.123796|0.107823|0.219700|0.500000| |1.715946|1.746118|1.968951|3.976105|2.530445|1.636777|2.723645|2.168302|1.974623|2.127351|3.549848|3.305358|2.626680|2.899482|0.073439|3.716053|3.783286|4.748411|7.013390|6.694830|4.560920|16.420712|17.575878|3.682185|0.075858|2.231171|2.054897|2.133636|2.549741|2.900746|1.725255|1.690542|1.639060|1.618549|1.648269|1.702312|2.748129|1.481779|0.047225|0.043854|0.051104|0.040956|0.050324|0.058255|0.071449|0.065029|0.079010|0.087999|0.119652|0.222495|0.113131|0.500000| |1.762330|1.789105|2.046787|4.120948|2.672654|1.715885|2.869764|2.241889|2.125937|2.256138|3.676334|3.565800|2.748878|2.907226|0.073740|3.723209|3.793228|4.765241|7.030155|6.699665|4.571230|16.422797|17.577838|3.530774|0.072818|2.161742|1.955554|1.972112|2.294100|2.642796|1.729704|1.688188|1.610476|1.570862|1.603111|1.681809|2.639240|1.412582|0.049239|0.044732|0.052120|0.042156|0.054301|0.064031|0.079483|0.067071|0.084231|0.088305|0.120180|0.222042|0.113383|0.298341|0.500000| |1.717055|1.712339|1.920144|3.857595|2.468688|1.602189|2.666937|2.128076|1.913005|2.001235|3.306393|3.062213|2.337645|2.538129|0.066252|3.175763|3.418517|4.426417|5.893997|4.896697|3.618334|16.988018|17.671683|3.153946|0.063909|1.969476|1.803157|1.855363|2.148705|2.440122|1.666048|1.607429|1.543571|1.530096|1.579374|1.649564|2.580481|1.399530|0.047762|0.043911|0.051328|0.040249|0.048857|0.057226|0.067261|0.057950|0.069208|0.082377|0.121758|0.145204|0.089234|0.300027|0.299993|0.500000| |2.983176|3.676157|4.158540|8.092439|5.063637|3.249994|5.115312|4.406651|3.652586|4.766812|10.497014|6.090474|5.305965|6.963335|0.228554|4.788824|4.233928|3.276458|2.892776|3.048377|3.781700|4.311024|2.152210|12.428525|0.181870|17.620570|8.794866|6.860639|5.872577|7.201015|4.331680|5.243394|5.480487|4.609903|3.965274|3.883049|7.391487|3.330504|0.075094|0.075252|0.084826|0.081053|0.089338|0.091060|0.104957|0.156295|0.117781|0.127410|0.082221|0.074635|0.102689|0.060472|0.058525|0.054224|0.500000| |2.646281|3.254084|3.796686|7.109227|5.074881|3.264628|5.348322|4.167848|3.967952|5.669444|13.377815|7.421776|7.085622|7.218362|0.200722|4.617195|3.789826|2.996205|2.754898|3.024256|3.855792|4.107732|2.095653|12.245824|0.217781|17.713198|8.769210|5.492583|4.885817|5.618720|3.549947|4.294104|4.233801|3.478041|3.050633|3.081434|5.707072|2.649912|0.068916|0.066818|0.073327|0.076838|0.100112|0.096764|0.119510|0.260229|0.149331|0.108093|0.074126|0.075494|0.111319|0.058791|0.058270|0.052503|0.304368|0.500000| |2.236140|2.651118|2.816884|5.160861|3.673732|2.529035|4.208427|3.408731|2.703642|3.334645|7.185318|4.357223|3.779051|4.119035|0.115558|3.222366|2.835734|2.388703|2.238047|2.411045|2.875604|3.460025|1.797901|7.577873|0.145906|8.989965|17.575864|8.791429|5.518217|4.895008|3.062806|3.743929|4.286459|3.722310|3.060638|2.847398|6.791238|3.111692|0.057415|0.058620|0.062282|0.065624|0.070569|0.067934|0.077089|0.121082|0.092004|0.080864|0.060831|0.061952|0.082912|0.051314|0.049256|0.045758|0.213234|0.214513|0.500000| |2.031222|2.355269|2.586605|4.857245|3.419015|2.300887|3.865996|3.031442|2.622683|3.294246|6.752103|4.607506|4.306934|4.595460|0.117332|3.608695|3.003518|2.541762|2.454969|2.750771|3.367306|3.753083|1.975043|9.333802|0.211619|8.860621|17.505211|8.809874|6.763717|5.674100|2.598361|3.010765|3.223865|2.892602|2.526208|2.423036|5.171057|2.501321|0.053088|0.052753|0.057072|0.057873|0.068476|0.067332|0.081741|0.140552|0.109167|0.082024|0.063288|0.071486|0.101821|0.057053|0.054466|0.049635|0.173076|0.212169|0.304026|0.500000| |2.291681|2.617281|2.743533|5.248017|3.385674|2.291850|3.721471|3.196510|2.429355|2.881168|5.809285|3.866733|3.313051|4.064150|0.115866|3.455576|3.178550|2.701522|2.493066|2.617306|3.045132|3.858789|1.976106|7.615639|0.135669|6.777522|8.861848|17.531313|8.846726|6.712765|3.095088|3.515391|4.113800|4.087796|3.479070|3.095395|7.749033|3.738744|0.057933|0.060185|0.066137|0.061369|0.061837|0.063083|0.071194|0.096150|0.082631|0.091135|0.069339|0.066396|0.084184|0.057047|0.052793|0.050387|0.200730|0.139631|0.215788|0.173507|0.500000| |1.921070|2.164860|2.283946|4.317548|2.914432|1.991590|3.309104|2.724593|2.146793|2.540505|5.048947|3.494203|3.047581|3.511449|0.094443|3.053558|2.725453|2.385354|2.290560|2.472808|2.857240|3.585638|1.885236|6.614237|0.133038|5.508936|8.824269|17.585218|8.836863|5.491053|2.462140|2.774155|3.137764|3.055086|2.660023|2.428494|5.835420|2.929862|0.049519|0.050715|0.054891|0.052747|0.055720|0.056126|0.064670|0.090497|0.078856|0.075405|0.060821|0.064503|0.082247|0.055129|0.050771|0.048022|0.139739|0.123044|0.208530|0.215156|0.303394|0.500000| |2.014808|2.210335|2.385030|4.716203|2.960183|1.964569|3.213343|2.695744|2.189066|2.567119|4.862840|3.666214|3.228850|4.076463|0.106784|3.904209|3.526447|3.122402|3.009894|3.233030|3.684656|4.635839|2.396973|7.592358|0.146253|4.919663|5.517428|8.787314|17.572100|8.983453|2.462690|2.620966|2.826579|2.847969|2.653804|2.482386|5.182648|2.709312|0.052028|0.052471|0.059231|0.051450|0.055550|0.058864|0.069747|0.089101|0.085381|0.094391|0.078343|0.082770|0.101847|0.071571|0.062840|0.060265|0.131602|0.107849|0.123249|0.138454|0.215226|0.208879|0.500000| |1.918705|2.134072|2.351362|4.608183|3.004644|1.985925|3.291291|2.660758|2.289934|2.761710|5.244451|4.054177|3.771337|4.552579|0.111228|4.164101|3.461914|3.023888|3.013630|3.441559|4.127976|4.571591|2.413426|9.336976|0.211897|5.685825|6.769212|8.824973|17.505025|8.879914|2.326353|2.524122|2.666806|2.568566|2.364793|2.265587|4.606222|2.354347|0.050216|0.049699|0.055528|0.050630|0.058630|0.061311|0.075951|0.107198|0.102022|0.090057|0.074006|0.089792|0.123222|0.072230|0.064862|0.059835|0.133803|0.126392|0.138575|0.196417|0.173522|0.215976|0.304202|0.500000| |2.286901|2.516104|2.887425|6.021157|3.561784|2.257723|3.651984|3.025144|2.724018|3.295588|5.958243|5.034453|4.714786|6.970848|0.161830|7.645016|6.033647|4.927348|4.723947|5.390291|6.946118|6.561786|3.239048|12.324569|0.222493|5.622545|4.889958|5.485255|8.810944|17.707361|2.683867|2.786183|2.806913|2.720999|2.627887|2.614300|4.630178|2.373997|0.059855|0.057818|0.067941|0.056326|0.067214|0.074868|0.096817|0.118966|0.126365|0.145255|0.112665|0.126454|0.177555|0.096028|0.084945|0.077807|0.146492|0.126178|0.107763|0.127208|0.138468|0.123305|0.214305|0.215669|0.500000| |2.688983|3.030358|3.421322|7.187861|4.044849|2.567618|4.062263|3.530495|2.956339|3.580471|6.775925|5.080766|4.494864|6.881186|0.195469|6.181010|5.678155|4.374924|3.801627|3.938873|4.817478|5.506713|2.676039|12.425452|0.182336|7.139805|5.779598|6.745043|8.758046|17.610620|3.405611|3.575115|3.688614|3.613865|3.445911|3.357499|6.043660|3.013992|0.068361|0.067856|0.080493|0.065441|0.071970|0.079134|0.095109|0.117324|0.110514|0.160700|0.106817|0.093366|0.122348|0.076763|0.070357|0.066485|0.221334|0.146278|0.129637|0.132541|0.196062|0.138257|0.213461|0.173027|0.302337|0.500000| |4.508319|6.995686|6.443360|9.310569|8.309415|6.412137|9.238940|9.551851|4.785329|5.113914|11.744981|5.266848|3.583850|3.714287|0.125350|3.010318|2.977260|2.477405|2.170095|2.180230|2.504100|3.397037|1.708033|4.812038|0.086121|4.354680|3.565441|3.078772|2.764234|3.092636|8.855459|17.726175|9.027739|5.656018|4.961952|5.668445|7.642057|3.339572|0.109542|0.115123|0.112651|0.171850|0.121498|0.107873|0.094130|0.104059|0.082801|0.094382|0.066145|0.054594|0.067208|0.046629|0.047073|0.044258|0.144345|0.131301|0.106154|0.086456|0.091956|0.075231|0.069866|0.069546|0.075876|0.094022|0.500000| |3.197520|4.081494|3.770488|6.288757|4.727453|3.529388|5.626243|5.254703|3.067317|3.428427|7.541039|3.990998|2.987187|3.237191|0.103217|2.668253|2.597473|2.207272|1.974778|2.002929|2.284552|3.119784|1.588652|4.725490|0.085234|4.580927|4.283368|3.800515|3.114362|3.226378|5.610482|8.916261|17.731679|8.939852|5.665857|4.975599|13.487149|4.874406|0.077826|0.086589|0.085399|0.104665|0.079876|0.074497|0.072323|0.088820|0.071352|0.079862|0.058839|0.050796|0.062238|0.044159|0.043328|0.041272|0.154751|0.126243|0.140159|0.098648|0.120505|0.094253|0.079307|0.076569|0.076581|0.098503|0.216744|0.500000| |3.890594|4.065277|3.406215|6.016520|3.858455|2.804120|4.329832|4.543644|2.424636|2.490337|4.787096|3.074846|2.247750|2.573937|0.081956|2.387654|2.561273|2.292212|1.990220|1.903735|2.052760|3.243375|1.620498|3.550759|0.063963|2.864407|2.663570|2.764519|2.559521|2.728348|5.636129|4.965174|5.634923|8.879013|17.765163|8.947598|12.469694|7.400834|0.088514|0.113203|0.114599|0.091462|0.061503|0.063383|0.059526|0.061753|0.056028|0.081428|0.064692|0.047999|0.053600|0.044683|0.043117|0.043001|0.094779|0.074270|0.076272|0.064252|0.089942|0.069854|0.071075|0.062190|0.068847|0.088616|0.107745|0.124153|0.500000| |7.459616|6.844273|4.968216|8.437078|5.176850|3.727986|5.444429|6.525776|3.037543|2.947446|5.466923|3.547718|2.467130|2.791077|0.091632|2.619228|2.917050|2.594323|2.187277|2.051325|2.204764|3.553249|1.745668|3.585870|0.064314|2.806854|2.463129|2.449806|2.356641|2.646960|8.909477|5.660960|4.978054|5.677887|9.011957|17.758661|7.485845|3.923402|0.146152|0.219999|0.233039|0.126223|0.075232|0.080060|0.069827|0.066161|0.060985|0.096738|0.074653|0.051107|0.056617|0.047204|0.046739|0.046355|0.092266|0.075229|0.069128|0.060529|0.076185|0.061062|0.064125|0.058288|0.068335|0.085365|0.123961|0.107977|0.219933|0.500000| 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