Version2.1 2020-12-28T07:35:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 21-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)C4CCN(CC4)C(=O)C C39667571 RHF 6-31G(d) (6D,7F) Cc1cccc(c1C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)C4CCN(CC4)C(=O)C C01[X(C26H39N4O3)] 210 C1 573 O=C(N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1cccc(c1C)C)C1CCN(CC1)C(=O)C O=C(N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1cccc(c1C)C)C1CCN(CC1)C(=O)C CC(=O)N1CCC(CC1)C(=O)N2C[C@H](C(=O)NCc3cccc(C)c3C)C4(CC[NH2+]CC4)C2 InChIKey=FXWRQJHOTBEHSO-HSZRJFAPSA-O InChI=1S/C26H38N4O3/c1-18-5-4-6-22(19(18)2)15-28-24(32)23-16-30(17-26(23)9-11-27-12-10-26)25(33)21-7-13-29(14-8-21)20(3)31/h4-6,21,23,27H,7-17H2,1-3H3,(H,28,32)/p+1/t23-/m1/s1 InChI=1/C26H38N4O3/c1-18-5-4-6-22(19(18)2)15-28-24(32)23-16-30(17-26(23)9-11-27-12-10-26)25(33)21-7-13-29(14-8-21)20(3)31/h4-6,21,23,27H,7-17H2,1-3H3,(H,28,32)/p+1/t23-/m1/s1/fC26H39N4O3/h27-28H/q+1 Cc1cccc(c1C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)C4CCN(CC4)C(=O)C C01[X(C26H39N4O3)] 210 C01 573 O=C(N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1cccc(c1C)C)C1CCN(CC1)C(=O)C O=C(N1C[C@@H](C2(C1)CC[NH2]CC2)[C]([NH]C[C]1[CH][CH][CH][C]([C]1C)C)=O)C1CCN(CC1)C(=O)C C[C]1[CH][CH][CH][C](CNC(=O)[C@H]2CN(CC23CC[NH2]CC3)C(=O)C4CCN(CC4)C(C)=O)[C]1C InChIKey=AIFWFNIKPFCOJO-HSZRJFAPSA-N InChI=1S/C26H39N4O3/c1-18-5-4-6-22(19(18)2)15-28-24(32)23-16-30(17-26(23)9-11-27-12-10-26)25(33)21-7-13-29(14-8-21)20(3)31/h4-6,21,23H,7-17,27H2,1-3H3,(H,28,32)/t23-/m1/s1 InChI=1/C26H39N4O3/c1-18-5-4-6-22(19(18)2)15-28-24(32)23-16-30(17-26(23)9-11-27-12-10-26)25(33)21-7-13-29(14-8-21)20(3)31/h4-6,21,23H,7-17,27H2,1-3H3,(H,28,32)/t23-/m1/s1/f/h28H 3443.8448355885 -1449.5269967 1-A 23849.8629 123 450 573 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1788.8506 1801.1184 1828.0349 1919.1712 1941.7132 1946.5236 3150.1868 3156.8823 3195.5881 3203.2999 3203.5351 3210.1643 3210.6810 3218.0040 3221.9577 3223.2653 3235.1744 3236.1351 3250.9070 3253.2356 3256.3964 3259.4610 3266.8239 3278.6732 3282.7530 3283.5642 3292.0955 3292.7285 3296.1536 3296.6480 3306.6567 3309.5314 3321.9618 3334.5845 3337.2771 3337.4081 3343.0337 3343.6318 3357.8423 3362.0458 3367.6692 3388.9825 3665.8485 3729.2953 3875.8748 5.0988 4.8458 5.0847 3.9272 3.3227 4.7384 4.6398 6.0837 4.8493 1.1996 3.1827 3.0855 3.4211 4.8001 3.3375 4.7873 4.1573 1.1438 3.0102 2.8387 1.5347 2.4669 3.6260 3.2244 2.4508 2.7869 2.9431 3.2769 2.9606 3.8921 3.0393 2.6478 2.7152 2.3091 2.3609 2.4409 2.9455 2.4410 3.1864 2.4436 2.9001 2.6739 2.8188 2.5139 1.5377 3.7306 3.3548 3.0256 2.5357 4.1140 2.6797 3.1586 4.3562 3.0386 3.5177 3.0746 3.5790 3.0357 4.8884 2.7391 6.8659 3.5180 1.8713 2.7487 3.8683 1.7354 1.5153 2.8640 2.6115 3.6248 1.5535 2.8915 2.6455 2.5996 2.5132 2.1726 1.3943 2.1312 1.7946 1.8913 2.3126 1.6941 1.8140 1.6163 1.8458 1.8815 1.4719 2.1922 2.1238 2.1025 1.9933 1.7268 3.2788 1.7962 2.0706 1.9420 1.6812 1.9705 2.3375 2.1778 1.7898 1.4471 2.1534 2.0384 1.5366 1.2660 2.6774 1.9547 1.7818 1.2742 1.9808 1.3024 1.4673 1.5456 2.6037 2.3188 1.3165 1.6730 1.4606 1.4250 1.6408 1.9785 1.5198 1.1785 1.2439 1.3765 1.4018 1.4268 1.4443 1.4504 1.4288 1.5368 1.5732 1.2949 1.4497 1.5445 1.2403 1.4347 1.4953 1.3457 1.4328 1.2248 1.3862 2.1463 2.3048 1.7592 1.1315 1.1707 1.0946 1.0954 1.0614 1.6233 1.0840 1.0876 1.1047 1.1145 1.0707 1.0835 1.5324 1.0888 1.1027 1.1068 1.0872 1.0882 2.0915 5.9617 5.3676 1.0767 8.6826 11.5208 10.4988 1.0759 1.0764 1.0752 1.0407 1.0824 1.0723 1.0425 1.0630 1.0422 1.0681 1.0738 1.0711 1.0786 1.1011 1.1013 1.0662 1.1033 1.0607 1.0676 1.1019 1.1007 1.0902 1.0975 1.0985 1.1021 1.0996 1.0958 1.0947 1.0913 1.1089 1.1113 1.0991 1.0886 1.0903 1.0922 1.0979 1.0560 1.0960 1.0795 0.0001 0.0003 0.0012 0.0014 0.0019 0.0041 0.0057 0.0095 0.0107 0.0055 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7.0149 0.9478 10.1752 26.9184 2.0691 6.7303 10.0359 1.3397 7.9897 3.8691 19.5396 4.9671 2.5439 17.2060 0.5309 1.2325 5.9028 2.5626 9.7075 1.6512 10.7053 1.4438 7.5289 4.3768 0.1631 39.4629 5.0435 49.9550 7.1192 49.7599 88.1695 223.6688 1.3417 70.0170 5.9608 36.7625 8.0942 22.8741 1.3043 73.2720 25.1922 25.0728 2.1278 27.6985 26.6147 51.5381 24.9270 4.1933 5.7814 93.5551 138.4718 4.6019 0.4522 32.4921 9.9952 18.6853 15.7261 8.6062 7.9008 2.5882 58.0979 525.6531 72.8283 5.1399 14.0904 1.4528 2.5448 2.1812 12.3962 8.4040 8.3926 12.9765 10.6615 12.3024 6.7877 2.7821 13.5930 17.9163 2.6689 32.0058 59.7919 8.8613 607.6111 1.1091 1.9768 102.6342 302.6737 332.7898 398.5090 13.7257 95.6326 15.4556 16.4142 19.2180 16.9757 44.9287 43.4341 11.9354 25.9649 19.3908 55.1671 42.7927 4.1759 49.3434 16.2103 35.4981 7.2572 6.2127 15.5182 25.6504 2.9816 10.8922 27.3932 19.8573 14.0599 29.4535 3.4843 27.8482 2.4174 7.1745 7.7034 3.0351 2.5212 23.2370 22.9241 74.6853 78.0497 52.2185 0.4332 0.5520 2.5533 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0.8269 4.8078 11.3048 21.6003 15.7145 12.6956 17.3986 7.4797 11.9768 1.8352 3.3512 7.1026 11.0430 7.9001 2.1133 6.2641 8.2432 3.8445 10.6264 8.4985 8.3166 20.6422 19.2032 5.7678 9.3732 9.7553 10.8895 10.7500 99.3176 39.2613 53.8831 31.1621 55.5137 196.3510 67.3571 125.1394 62.0420 34.4445 59.7189 135.0425 9.5729 123.1059 51.6089 33.2542 76.6709 94.6861 43.7527 59.9320 85.9055 36.2697 13.6142 37.9505 37.4739 71.9201 54.9535 116.0592 57.3021 55.0348 67.0336 62.7159 51.7650 73.8575 199.3268 73.0705 56.2810 28.0067 0.7485 0.7492 0.7496 0.7432 0.7439 0.6822 0.7432 0.7263 0.5855 0.4130 0.7473 0.6222 0.5623 0.7215 0.4429 0.7170 0.4527 0.3023 0.1046 0.1589 0.3561 0.5853 0.3266 0.5458 0.7499 0.1115 0.6344 0.6889 0.6530 0.5093 0.5721 0.6731 0.3999 0.7297 0.4999 0.3092 0.5662 0.7232 0.7239 0.6604 0.2507 0.4401 0.7204 0.2909 0.4085 0.7442 0.2975 0.5438 0.3304 0.5546 0.7473 0.7454 0.1740 0.5646 0.0310 0.4109 0.0638 0.1870 0.2955 0.0710 0.0640 0.0953 0.7056 0.0995 0.7485 0.7499 0.6752 0.0477 0.1285 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14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 14.00307 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 1.00783 1.00783 1.00783 10200.4742 34220.6335 40594.1913 0.99999 0.00068 0.00355 -0.00071 0.99997 0.00805 -0.00354 -0.00805 0.99996 1 0.00849 0.00253 0.00213 0.17693 0.05274 0.04446 9.58 13.96 28.94 35.57 44.37 54.98 65.61 74.11 88.00 127.15 136.67 142.85 170.75 184.42 203.94 215.34 242.30 267.68 274.03 297.03 305.59 313.19 334.81 355.26 369.42 386.30 409.51 430.07 440.08 466.00 468.07 481.63 487.05 531.36 551.95 583.89 602.68 617.26 647.30 684.25 705.31 712.86 722.68 738.13 756.02 770.20 789.96 808.56 819.85 841.11 858.31 926.86 929.79 958.51 1005.75 1040.87 1112.89 1116.08 1139.70 1166.24 1172.94 1227.92 1249.54 1262.14 1267.51 1278.51 1286.59 1296.83 1313.52 1338.85 1353.82 1364.32 1380.00 1443.29 1448.85 1469.16 1489.03 1500.04 1517.97 1525.63 1536.70 1551.89 1562.51 1572.17 1578.23 1586.93 1597.00 1603.80 1633.46 1637.02 1647.33 1651.85 1677.35 1678.36 1693.08 1695.42 1697.76 1711.08 1733.31 1734.27 1767.79 1779.62 1791.45 1795.71 1848.86 1856.17 1866.55 1891.89 1898.58 1918.12 1929.01 1934.02 1944.68 1957.74 1971.10 1977.35 1981.64 2003.81 2026.50 2032.46 2038.80 2055.09 2060.73 2085.66 2092.74 2097.66 2100.57 2160.74 2169.88 2175.16 2181.00 2187.42 2189.87 2214.92 2222.69 2230.27 2239.38 2245.80 2247.98 2251.11 2256.50 2268.22 2277.04 2285.27 2302.98 2317.54 2335.17 2341.05 2342.10 2344.61 2349.18 2349.90 2359.99 2365.35 2365.42 2368.79 2373.14 2377.89 2379.42 2386.27 2393.97 2412.57 2424.22 2428.14 2443.98 2573.76 2591.41 2630.13 2761.26 2793.69 2800.61 4532.42 4542.05 4597.74 4608.83 4609.17 4618.71 4619.45 4629.99 4635.68 4637.56 4654.69 4656.08 4677.33 4680.68 4685.23 4689.64 4700.23 4717.28 4723.15 4724.32 4736.59 4737.50 4742.43 4743.14 4757.54 4761.68 4779.56 4797.72 4801.60 4801.79 4809.88 4810.74 4831.19 4837.23 4845.32 4875.99 5274.34 5365.62 5576.52 0.684467 0.715162 0.716106 0.617130 -1448.842530 -1448.811835 -1448.810891 -1448.909867 3.319671D-04 MUNgauss RevisionA2.0 retrievium 28-Dec-2020 DUDE Cc1cccc(c1C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)C4CCN(CC4)C(=O)C C39667571 RHF 6-31G(d) (6D,10F) C1 455.302216 |X|Y|Z| 133.729731 68.704141 35.292578 68.701268 26 6 7 22 4 |36.858105| |12.593422|36.858105| |7.604470|13.730051|36.858105| |5.027472|7.893041|13.773362|36.858105| |4.441083|6.859563|7.989135|13.806672|36.858105| |4.996208|7.885844|6.879264|7.907223|13.693400|36.858105| |7.507044|13.589010|7.904145|6.815485|7.888597|13.623013|36.858105| |6.542241|7.584047|5.027415|4.419572|4.987914|7.474296|12.569146|36.858105| |3.741884|4.978710|4.448272|5.050320|7.659303|12.577357|7.460461|6.323663|36.858105| |3.399505|4.268264|3.813872|4.184016|5.682037|7.781259|5.933727|5.632107|13.006309|53.358707| |2.791630|3.309251|3.009448|3.258676|4.151274|5.121670|4.277205|4.377240|7.766438|19.365928|36.858105| |2.549472|2.974855|2.722189|2.945110|3.706702|4.476952|3.781967|3.941104|6.841035|11.586711|15.785900|73.516695| |2.500484|2.866035|2.646328|2.821242|3.397896|3.931599|3.490136|3.590348|5.000087|10.693947|12.460189|14.143352|36.858105| |2.697420|3.070074|2.802223|2.931171|3.461358|4.032122|3.710806|3.840369|4.783160|10.288302|8.881673|10.535378|17.562203|0.500000| |2.225412|2.561183|2.462299|2.697930|3.219140|3.470947|3.002909|2.938002|4.240531|7.972275|7.620037|10.692286|12.359928|0.243049|36.858105| |1.951896|2.206137|2.122076|2.307091|2.710773|2.908142|2.557860|2.552813|3.562102|6.107042|6.015664|10.159968|8.067125|0.162487|13.084683|53.358707| |1.937602|2.156568|2.031740|2.164228|2.528257|2.795736|2.523306|2.616799|3.464874|5.880942|6.108509|11.268052|7.913809|0.157936|7.854873|17.858075|36.858105| |2.173743|2.406742|2.216702|2.318715|2.705005|3.089534|2.857049|3.051853|3.804404|6.941376|7.383886|11.754292|12.280589|0.241878|7.870341|11.023891|12.337278|36.858105| |2.229634|2.422535|2.179560|2.232394|2.584295|3.033824|2.902876|3.272797|3.731480|6.412890|6.417084|11.445031|7.359274|0.175288|4.990892|6.965091|7.385829|12.378286|36.858105| |1.930562|2.051533|1.864792|1.896149|2.143529|2.450368|2.382771|2.671260|2.891875|4.660037|4.274643|7.891200|4.828973|0.121918|3.840131|5.697627|5.959163|7.452683|12.516593|36.858105| |1.834880|1.928461|1.764732|1.784132|1.984412|2.232524|2.194526|2.430809|2.547374|4.130188|3.623439|6.306902|4.372326|0.117585|3.632346|5.257353|5.047123|6.428141|7.684249|12.636234|53.358707| |1.687339|1.758931|1.617945|1.632093|1.799260|2.004351|1.978144|2.182039|2.260467|3.571602|3.066926|5.432144|3.570029|0.096136|3.098355|4.546404|4.232505|4.892577|5.671951|9.150309|25.683157|0.500000| |1.936348|2.014724|1.826372|1.826081|2.017909|2.286851|2.287542|2.571243|2.569684|4.179084|3.560494|6.037266|4.263412|0.120756|3.451272|4.749096|4.320296|5.770154|7.056373|9.203255|25.672459|0.328387|0.500000| |1.790974|1.905194|1.770087|1.811707|2.018380|2.232483|2.155395|2.317036|2.542821|4.207278|3.720356|6.281609|4.881531|0.130338|4.322309|6.393792|5.961936|7.393412|6.486220|7.599625|17.223160|0.254655|0.255473|36.858105| |2.019900|2.189773|2.031766|2.098351|2.374482|2.647706|2.516423|2.675220|3.061935|5.370805|4.906392|7.716615|7.593282|0.203751|6.265190|8.458556|7.486950|12.302237|7.606964|6.508168|10.449826|0.157516|0.194925|12.497943|36.858105| |1.775078|2.003437|1.964645|2.158742|2.507133|2.601617|2.277636|2.231795|3.105749|4.979590|4.498418|7.953394|5.236374|0.117587|7.862039|18.967597|7.527455|5.153223|3.804292|3.334062|4.255219|0.078160|0.078922|3.718378|4.440959|36.858105| |1.773199|2.014416|2.009556|2.237129|2.583633|2.605919|2.260900|2.165885|3.031858|4.786957|4.063406|6.934500|4.615022|0.109328|7.142924|11.673882|5.300770|4.202899|3.216048|2.820041|3.674755|0.068047|0.069776|3.176592|3.800258|15.874696|73.516695| |1.597050|1.778996|1.741426|1.895584|2.172678|2.256438|2.006130|1.990431|2.670582|4.094574|3.641864|6.856072|3.986109|0.092317|4.996764|10.438901|6.373144|4.268597|3.442545|3.208863|4.038433|0.076382|0.073576|3.427626|3.741318|12.533789|14.228990|36.858105| |1.442698|1.594660|1.578288|1.715322|1.928800|1.965847|1.764905|1.737577|2.253229|3.387004|2.872152|5.273990|3.134463|0.076194|3.876200|6.969823|4.341520|3.284221|2.738655|2.623465|3.423642|0.066162|0.063238|2.906004|3.081010|7.570826|12.017223|12.434928|36.858105| |1.322731|1.449259|1.432132|1.545479|1.722931|1.758623|1.595108|1.581575|2.001419|2.940801|2.465619|4.622317|2.614413|0.064409|3.039995|5.224978|3.573704|2.788371|2.443781|2.411427|3.125500|0.061654|0.057658|2.569837|2.620703|4.921933|7.898660|7.552251|12.464739|36.858105| |1.336801|1.470101|1.454347|1.576291|1.766146|1.800653|1.623053|1.605760|2.064708|2.969858|2.482258|4.772498|2.532849|0.062034|2.882974|4.861660|3.392455|2.662983|2.392921|2.337844|2.951644|0.058107|0.054773|2.356817|2.423249|4.450376|7.177939|6.580907|7.756476|13.127858|53.358707| |1.446668|1.598868|1.568443|1.701249|1.932468|1.997893|1.789389|1.782687|2.345719|3.370917|2.886123|5.750756|2.878816|0.068947|3.215082|5.575961|4.045980|3.061183|2.777092|2.684802|3.277658|0.063936|0.060384|2.577205|2.670426|4.939381|7.479420|7.545895|6.545427|7.789478|17.854159|36.858105| |1.612595|1.806869|1.772222|1.943099|2.247532|2.330045|2.047948|2.023716|2.801364|4.119708|3.631846|7.252835|3.634718|0.084187|4.266523|7.887128|5.300250|3.765960|3.246167|2.993634|3.626774|0.068983|0.066900|2.912262|3.159868|7.623046|10.646512|12.362182|7.595155|6.548948|10.575369|12.484244|36.858105| |1.245684|1.363865|1.355853|1.467215|1.628353|1.647341|1.492484|1.472344|1.862794|2.630772|2.152600|4.126485|2.163960|0.053868|2.416071|3.896173|2.744870|2.247463|2.064908|2.027499|2.571360|0.051021|0.048226|2.021037|2.065270|3.420026|5.751886|4.490771|5.190753|7.616197|18.934205|7.851244|5.274872|36.858105| |1.241393|1.358791|1.350328|1.460929|1.621742|1.641501|1.487301|1.468174|1.857533|2.582374|2.100189|4.075926|2.067535|0.051544|2.264481|3.590386|2.571677|2.135977|1.999757|1.959529|2.456431|0.048774|0.046282|1.898102|1.940853|3.057119|5.141121|3.852509|4.099355|5.314799|11.554726|7.040577|4.781867|15.875274|73.516695| |1.154635|1.257255|1.255803|1.354557|1.486055|1.492517|1.362006|1.339969|1.660162|2.348732|1.894938|3.561933|1.929635|0.048793|2.159604|3.405559|2.375450|1.994639|1.829640|1.807771|2.339612|0.046702|0.044158|1.850085|1.879474|2.966057|5.147030|3.695373|4.564547|6.503010|10.476100|4.996908|3.933071|12.567670|14.341465|36.858105| |17.536138|8.799819|5.918670|4.301334|3.959815|4.540887|6.611777|6.531799|3.567770|4.649301|2.831081|4.532356|2.595201|0.079355|2.280711|2.707313|1.983988|2.263470|2.328141|2.016202|2.637150|0.049350|0.057422|1.886927|2.132203|1.792592|3.172480|1.606966|1.450779|1.326594|1.812406|1.438824|1.605341|1.236138|2.180632|1.147913|0.500000| |17.548518|8.806362|5.876843|4.289346|3.968140|4.574014|6.688591|6.682616|3.597208|4.367639|2.691370|4.466190|2.384737|0.070457|2.109057|2.557682|1.889701|2.110897|2.206695|1.924977|2.467308|0.046505|0.053086|1.747298|1.947965|1.710341|3.013129|1.555455|1.402432|1.295093|1.790044|1.428877|1.582040|1.228843|2.186811|1.136201|0.302590|0.500000| |17.597093|8.863254|7.368495|4.801788|3.996858|4.173470|5.556275|4.783284|3.201713|3.990146|2.454646|4.014221|2.234489|0.066642|2.031473|2.440594|1.767343|1.958338|1.989515|1.745828|2.276898|0.043013|0.048861|1.643429|1.840046|1.649759|2.950822|1.490367|1.359469|1.250005|1.718275|1.356451|1.503603|1.182306|2.094773|1.101782|0.302388|0.302378|0.500000| |7.098024|8.938759|17.713564|8.944933|5.673045|4.954968|5.632062|4.103848|3.555528|4.294069|2.582533|4.197305|2.327327|0.068502|2.191236|2.600791|1.831437|1.986675|1.955368|1.699901|2.209672|0.041629|0.046719|1.629172|1.849062|1.785089|3.255980|1.595097|1.461183|1.332928|1.838559|1.445639|1.618069|1.266391|2.242153|1.180591|0.154734|0.152896|0.229340|0.500000| |4.103573|5.626511|8.912084|17.724148|8.922983|5.630091|4.922600|3.537530|4.121603|4.821754|2.876002|4.680466|2.548708|0.073003|2.506649|2.949600|2.012968|2.122449|2.025510|1.743608|2.247681|0.042209|0.046733|1.688715|1.941402|2.064676|3.851751|1.821534|1.669566|1.507237|2.093066|1.644245|1.867891|1.440140|2.548845|1.337551|0.099793|0.099414|0.114348|0.215486|0.500000| |3.550595|4.944186|5.669278|8.947406|17.706000|8.914402|5.624421|4.067760|7.174685|7.471091|4.202481|6.785847|3.438480|0.094551|3.401362|3.916103|2.623303|2.728611|2.554447|2.125030|2.670510|0.049495|0.054802|2.018182|2.377234|2.713606|5.048545|2.337215|2.075255|1.842701|2.586066|2.078770|2.443611|1.750280|3.099083|1.591792|0.090146|0.090370|0.090919|0.124603|0.215430|0.500000| |6.471346|6.662872|4.583119|3.970323|4.313782|5.912316|8.828508|17.539215|5.170648|6.053066|3.685195|6.197057|3.060959|0.088922|2.563623|3.115660|2.367555|2.701126|2.946403|2.478234|3.056218|0.056740|0.065719|2.115962|2.383713|2.030624|3.496510|1.844013|1.620394|1.492201|2.074655|1.691474|1.893270|1.408431|2.512301|1.282615|0.169185|0.213313|0.133117|0.107835|0.090438|0.099989|0.500000| |6.874381|6.866701|4.645776|3.967510|4.256222|5.767675|8.827857|17.550564|4.976600|6.715607|3.983318|6.252879|3.485148|0.107415|2.842528|3.345333|2.523328|3.000275|3.215239|2.657712|3.372696|0.061755|0.074124|2.357088|2.716085|2.140774|3.698785|1.905801|1.675750|1.523739|2.085728|1.687364|1.907290|1.404409|2.476910|1.286663|0.222669|0.186000|0.138308|0.109735|0.090367|0.098317|0.303237|0.500000| |4.783965|5.563194|4.160863|3.932637|4.685938|7.106874|8.768945|17.638371|7.462559|9.472467|5.468338|8.752040|4.238806|0.123565|3.310407|3.922594|3.015864|3.586541|3.957499|3.109002|3.746181|0.067755|0.080567|2.595158|3.028683|2.468963|4.191076|2.196134|1.885323|1.710609|2.367380|1.954391|2.238268|1.581932|2.802851|1.428143|0.134826|0.135311|0.104836|0.095896|0.089654|0.111492|0.302618|0.303231|0.500000| |3.223179|4.194727|4.027224|4.843801|7.437820|8.907194|5.585455|4.712486|17.601114|12.423367|6.886260|11.815987|4.616705|0.117791|4.251407|4.979690|3.454553|3.581117|3.415525|2.710165|3.251011|0.059396|0.065905|2.417580|2.883727|3.299539|5.802504|2.841340|2.393703|2.121418|3.017968|2.531352|3.060858|2.002536|3.565210|1.771999|0.084572|0.086353|0.079175|0.091537|0.115161|0.231080|0.114403|0.108193|0.146929|0.500000| |3.645168|4.594830|3.953850|4.237995|5.764128|8.789131|6.813521|6.810005|17.645068|12.495637|7.062537|12.669408|4.575887|0.119963|3.770916|4.533979|3.397780|3.734375|3.898508|3.031196|3.543508|0.064408|0.072949|2.528055|2.972088|2.900529|4.921581|2.571732|2.162081|1.951996|2.762246|2.330535|2.734644|1.838091|3.285108|1.629802|0.096440|0.101518|0.085884|0.090050|0.098034|0.148974|0.163633|0.141934|0.245896|0.305013|0.500000| |3.575583|4.522353|4.083924|4.456041|5.860097|7.547262|6.045544|5.462915|9.019975|26.057511|9.404335|10.870874|7.499099|0.233922|5.877316|5.793825|3.963655|4.768423|4.255301|3.184082|3.999629|0.070669|0.083747|3.052370|3.957751|3.503656|6.154451|2.839328|2.399732|2.070013|2.806863|2.295423|2.783020|1.832619|3.176214|1.656740|0.101753|0.090852|0.085969|0.093698|0.104447|0.152932|0.117411|0.141262|0.172647|0.193793|0.183610|0.500000| |2.147401|2.440587|2.365817|2.568619|2.976253|3.144320|2.789245|2.717893|3.624672|6.569966|5.618524|8.081288|8.712948|0.223016|17.576128|12.319989|6.120713|6.481164|4.318067|3.501649|4.774581|0.083828|0.093882|4.340224|6.343634|6.663851|11.847959|4.429346|3.689443|2.885829|3.633581|2.875856|3.664388|2.260641|3.736157|2.065328|0.061701|0.056075|0.054931|0.059180|0.066975|0.086442|0.066023|0.074652|0.083101|0.099663|0.089744|0.143773|0.500000| |2.302634|2.709966|2.657590|3.000258|3.666811|3.835167|3.180132|2.994428|4.722892|8.597126|7.442498|10.587398|8.664996|0.191375|17.636124|12.375528|5.945325|5.703902|4.149271|3.263789|4.148459|0.073861|0.081365|3.478375|4.642950|7.313979|13.581662|4.730961|3.768186|2.967568|3.921466|3.203571|4.304179|2.441905|4.098442|2.178520|0.064645|0.060294|0.058582|0.065173|0.077836|0.111540|0.072521|0.079057|0.092566|0.138134|0.111750|0.175788|0.304318|0.500000| |1.759968|1.930465|1.826170|1.930051|2.212107|2.415291|2.218397|2.308852|2.897575|4.740136|4.555465|8.411162|5.690534|0.126844|5.851223|12.365587|17.577209|8.669584|6.236792|6.034058|7.374253|0.130513|0.122490|6.781895|7.163402|6.705193|8.522151|6.553982|4.608107|3.867407|4.815393|4.134162|5.080038|2.832568|4.650788|2.468577|0.050176|0.047824|0.044924|0.046216|0.050286|0.063533|0.058784|0.062498|0.072757|0.080307|0.079618|0.090807|0.142340|0.129158|0.500000| |1.948578|2.176713|2.045106|2.185123|2.576629|2.871456|2.570370|2.677959|3.658075|5.959225|6.299479|13.566477|6.666926|0.136037|6.267721|12.282499|17.619722|8.792356|7.146106|5.770104|6.104168|0.107544|0.108098|4.774443|5.515901|6.510939|8.452577|6.167515|4.140235|3.560737|4.840090|4.495490|5.937043|2.884408|4.901154|2.434682|0.054896|0.053285|0.049241|0.051030|0.056311|0.074584|0.068047|0.070417|0.086681|0.102884|0.102416|0.106942|0.134965|0.148467|0.301446|0.500000| |2.276270|2.497871|2.241949|2.311087|2.713396|3.225084|3.041360|3.443327|4.127508|6.817765|7.043860|14.695948|6.614766|0.151527|4.684722|6.648678|6.890378|8.792849|17.652000|8.985076|7.620719|0.126890|0.144136|4.865734|5.516875|3.751793|5.637260|3.469070|2.725509|2.462258|3.365648|2.939126|3.440915|2.141100|3.733596|1.871742|0.065070|0.063227|0.056199|0.055520|0.058023|0.074826|0.087150|0.090916|0.118436|0.105544|0.124759|0.118940|0.108928|0.113888|0.156594|0.218780|0.500000| |2.450910|2.634258|2.322665|2.336961|2.684990|3.216457|3.178033|3.718210|3.854962|6.702719|6.157092|10.113466|6.878869|0.187787|4.526137|5.832886|5.442515|8.812396|17.493566|8.916722|9.452560|0.144867|0.208008|5.701167|6.816572|3.291759|5.141815|2.942065|2.417138|2.164742|2.886750|2.416338|2.791725|1.858376|3.211546|1.666238|0.072211|0.067328|0.060095|0.057758|0.058304|0.072167|0.091580|0.104100|0.126514|0.094471|0.112235|0.126681|0.112838|0.107129|0.131336|0.144793|0.304099|0.500000| |1.783807|1.904956|1.753891|1.800570|2.036580|2.292483|2.197144|2.412845|2.716292|4.291956|3.958860|7.592911|4.404751|0.107684|3.749006|5.938436|6.497511|6.681237|8.739614|17.622463|12.424328|0.223673|0.181098|6.968973|5.753447|3.558753|5.226384|3.583938|2.888187|2.690420|3.547066|3.034855|3.335350|2.234178|3.825899|1.972074|0.051260|0.049431|0.045140|0.044541|0.046362|0.056787|0.062706|0.065905|0.077184|0.072414|0.078800|0.081021|0.094233|0.089147|0.200306|0.181119|0.212235|0.173110|0.500000| |1.924584|2.018074|1.819696|1.830651|2.053111|2.358959|2.334976|2.669935|2.747904|4.288994|3.778741|7.068986|4.012770|0.104457|3.230852|4.672472|4.555047|5.443045|8.773495|17.627954|12.357978|0.222930|0.223988|5.580715|4.886582|2.838599|4.365876|2.768048|2.314076|2.167792|2.898573|2.435627|2.655555|1.878377|3.262573|1.680792|0.055862|0.053892|0.048273|0.046234|0.046676|0.056061|0.069994|0.073962|0.086126|0.071042|0.081629|0.081235|0.082517|0.078790|0.126642|0.128408|0.212717|0.215660|0.301320|0.500000| |1.668975|1.782305|1.670971|1.723883|1.923222|2.105071|2.010039|2.136964|2.412497|3.915015|3.488916|6.095380|4.419510|0.112878|4.171883|6.695652|6.438458|6.581639|5.690365|6.943402|12.451706|0.225223|0.181267|17.642022|8.723973|4.018332|5.934541|3.879374|3.269693|2.909271|3.573383|2.871995|3.209951|2.220604|3.674205|2.023967|0.048384|0.045372|0.042750|0.042803|0.044923|0.053979|0.054692|0.059630|0.066296|0.064862|0.066762|0.077909|0.114468|0.094374|0.236285|0.142572|0.127377|0.131935|0.209456|0.143254|0.500000| |1.712035|1.803116|1.682151|1.711370|1.881002|2.059897|2.009345|2.149949|2.292602|3.741179|3.181050|5.315084|4.076347|0.113983|3.737182|5.335144|4.559930|5.419827|4.888599|5.578503|12.359489|0.222418|0.224367|17.625768|8.774846|3.251681|5.107741|3.007146|2.653090|2.364382|2.928809|2.302677|2.561138|1.868320|3.113777|1.737018|0.050367|0.046255|0.043920|0.043343|0.044531|0.052059|0.054734|0.061470|0.065766|0.060540|0.062964|0.076831|0.108610|0.085676|0.141323|0.105104|0.107549|0.128587|0.143197|0.126461|0.301724|0.500000| |2.167919|2.330087|2.139296|2.179245|2.443463|2.748943|2.669515|2.870637|3.101934|5.496244|4.740161|7.171479|7.103570|0.228005|5.503019|6.703123|5.488850|8.780823|6.786333|5.670360|9.376624|0.144062|0.204807|8.925998|17.516022|3.713585|5.924039|3.137539|2.661318|2.294299|2.919085|2.342464|2.735755|1.859779|3.130938|1.706960|0.064519|0.057712|0.054626|0.054110|0.055649|0.066840|0.070249|0.082902|0.089653|0.079305|0.083264|0.116405|0.160818|0.118995|0.142208|0.123190|0.139116|0.198952|0.132202|0.127373|0.173248|0.217510|0.500000| |1.925919|2.099687|1.981912|2.068599|2.330463|2.537627|2.381207|2.463880|2.897704|5.028298|4.467774|6.997296|6.871420|0.184162|6.970067|9.433314|7.044109|8.723035|5.510312|4.888285|7.629365|0.127168|0.143436|9.016644|17.591716|5.036862|7.767909|4.060751|3.405149|2.806878|3.450598|2.737010|3.274663|2.144680|3.537267|1.969068|0.056205|0.051227|0.049186|0.050321|0.053722|0.065601|0.061084|0.069267|0.076114|0.077313|0.076601|0.105063|0.220665|0.139427|0.193570|0.140935|0.123053|0.139147|0.129113|0.107691|0.213980|0.212791|0.304057|0.500000| |1.568916|1.730604|1.676444|1.801853|2.054110|2.164772|1.954558|1.973270|2.559769|3.954953|3.568886|6.778595|3.991422|0.092570|4.691344|9.930288|7.310958|4.637171|3.778039|3.664236|4.596051|0.087483|0.081567|3.935301|4.106709|8.857435|10.542922|17.525035|8.895496|6.881313|7.954472|6.889413|8.876469|4.123170|6.383628|3.434149|0.044090|0.042629|0.040565|0.042729|0.047821|0.060467|0.050928|0.052791|0.060812|0.074134|0.069570|0.076015|0.116752|0.117226|0.242558|0.192414|0.104281|0.087536|0.118196|0.086265|0.129823|0.093990|0.093024|0.121629|0.500000| |1.413297|1.552804|1.534834|1.657037|1.847886|1.885598|1.709470|1.688634|2.135720|3.249242|2.737768|4.915637|3.084136|0.076272|3.823071|6.730802|4.199787|3.271763|2.697361|2.616723|3.516696|0.068225|0.064911|3.065464|3.214169|6.825937|11.183831|8.797202|17.536110|8.874465|7.662731|4.899191|5.505505|4.195003|6.055189|3.953840|0.039709|0.038053|0.037054|0.039615|0.044808|0.054761|0.043638|0.045654|0.050713|0.062145|0.056790|0.064864|0.105447|0.100428|0.127888|0.106414|0.072907|0.066594|0.079525|0.063791|0.096571|0.078986|0.076855|0.101408|0.214706|0.500000| |1.451725|1.614118|1.614028|1.770879|1.989624|1.996893|1.777485|1.726239|2.271213|3.377513|2.804919|5.098616|3.009168|0.073851|3.789727|6.404926|3.836045|3.019728|2.528004|2.378397|3.104811|0.059775|0.058242|2.608756|2.823254|7.057541|13.288936|8.880571|17.605806|8.860402|9.415109|5.735324|6.854805|5.075167|7.212157|4.599309|0.040377|0.039061|0.038139|0.041545|0.048251|0.060132|0.044681|0.046111|0.051674|0.067858|0.059868|0.066863|0.100870|0.106844|0.107961|0.102646|0.070323|0.062978|0.071335|0.058881|0.079380|0.066814|0.069174|0.086752|0.174587|0.303002|0.500000| |1.297962|1.412650|1.385996|1.483087|1.649024|1.699669|1.556377|1.560080|1.934373|2.857702|2.413118|4.537767|2.584468|0.063826|2.930602|5.076063|3.654022|2.846190|2.524432|2.558405|3.331453|0.066497|0.060734|2.737553|2.708185|4.504782|6.973550|6.761987|8.828961|17.454739|12.415376|6.929501|5.692943|6.193657|8.337738|5.427810|0.036298|0.035402|0.034015|0.035867|0.039995|0.048527|0.040969|0.041921|0.047004|0.056284|0.052862|0.055825|0.077537|0.077646|0.114634|0.100672|0.070153|0.061669|0.080705|0.063751|0.088052|0.069871|0.065304|0.079900|0.201789|0.216293|0.173651|0.500000| |1.248033|1.362475|1.353679|1.459238|1.611619|1.631275|1.486195|1.467360|1.829975|2.671562|2.199654|4.071876|2.331603|0.058422|2.701880|4.457514|3.025335|2.453036|2.166363|2.143243|2.819373|0.055946|0.052529|2.313759|2.352099|4.101901|6.971199|5.523921|8.908240|17.678319|12.433427|5.656838|4.920136|7.237455|8.851247|7.764837|0.034758|0.033898|0.032924|0.035187|0.039773|0.047844|0.038547|0.039405|0.043738|0.053789|0.049428|0.052716|0.072678|0.073882|0.090136|0.082900|0.060304|0.054100|0.065532|0.054026|0.071893|0.060159|0.058041|0.070303|0.140943|0.214055|0.217095|0.303481|0.500000| |1.423635|1.561073|1.518078|1.629847|1.844516|1.930287|1.749798|1.767866|2.266045|3.280881|2.837732|5.691212|2.861525|0.068623|3.101704|5.428928|4.212311|3.164596|2.930459|2.921599|3.534411|0.069653|0.064231|2.750530|2.770477|4.528379|6.672774|6.778465|5.708300|6.940444|12.410648|17.456178|8.839235|6.318376|10.373283|4.407965|0.039501|0.039204|0.036996|0.038910|0.043529|0.054449|0.046725|0.046681|0.054076|0.066789|0.063303|0.061977|0.077372|0.083540|0.124705|0.131403|0.086041|0.069936|0.094296|0.073573|0.086758|0.067769|0.066918|0.077796|0.202834|0.127933|0.132042|0.203649|0.142173|0.500000| |1.435388|1.587706|1.561270|1.696825|1.926660|1.984580|1.774182|1.762373|2.326219|3.261973|2.747657|5.544211|2.657436|0.064193|2.905007|4.814655|3.517975|2.772831|2.580999|2.481830|3.006144|0.058765|0.055983|2.316565|2.406006|4.101876|6.472385|5.499812|4.920478|5.686917|12.580668|17.702797|8.837636|7.707221|15.061768|4.785051|0.039419|0.039548|0.037435|0.039996|0.045648|0.057738|0.046797|0.046032|0.053510|0.070396|0.064701|0.061323|0.072080|0.081924|0.097340|0.110579|0.077095|0.063145|0.076945|0.063651|0.070481|0.057824|0.059597|0.067717|0.140637|0.108089|0.129021|0.142686|0.127858|0.302514|0.500000| |1.631412|1.843532|1.830981|2.034718|2.360005|2.398258|2.079017|2.016744|2.862011|4.132272|3.528366|6.904632|3.456051|0.081220|4.157755|7.106685|4.469572|3.391061|2.923833|2.652170|3.256031|0.061849|0.061105|2.610081|2.881255|7.084370|11.426066|8.852723|6.878691|5.766337|9.478954|8.877620|17.559780|5.179289|8.471991|3.948304|0.044843|0.044284|0.042422|0.046423|0.054789|0.072554|0.052363|0.052561|0.061394|0.088946|0.076328|0.078000|0.099981|0.123274|0.115610|0.135032|0.086004|0.071592|0.079922|0.066151|0.078131|0.064750|0.070817|0.083694|0.174308|0.140267|0.203481|0.132226|0.129620|0.173739|0.215663|0.500000| |1.726017|1.942189|1.884975|2.063196|2.419414|2.557069|2.235468|2.229864|3.167881|4.655004|4.247998|9.017882|4.070322|0.091896|4.544075|8.347568|6.100847|4.246608|3.734995|3.361067|3.918507|0.073712|0.072145|3.073203|3.369313|6.892744|9.439617|8.731491|5.499637|4.891875|7.665889|8.876981|17.535694|4.269591|7.309804|3.286336|0.047669|0.047249|0.044365|0.047446|0.054489|0.072759|0.057902|0.057839|0.069526|0.096321|0.087229|0.085009|0.104187|0.126605|0.152743|0.214143|0.114129|0.087565|0.104327|0.082684|0.093043|0.073745|0.080930|0.094049|0.213118|0.122830|0.140015|0.127256|0.107946|0.215549|0.212023|0.302554|0.500000| |1.169458|1.277053|1.282014|1.388544|1.521340|1.517189|1.379787|1.348534|1.680190|2.385409|1.914420|3.558154|1.962151|0.049765|2.231916|3.492628|2.377020|2.003414|1.814260|1.775801|2.315506|0.045987|0.043873|1.849645|1.899241|3.099974|5.535643|3.774715|4.909204|6.502119|9.364379|4.573070|3.890101|8.796315|10.933511|17.571640|0.032303|0.031834|0.031053|0.033502|0.038236|0.045455|0.035720|0.036020|0.039811|0.049936|0.045423|0.047035|0.059790|0.062983|0.068153|0.066802|0.051267|0.046087|0.053384|0.045671|0.055919|0.048432|0.048021|0.055853|0.094717|0.118811|0.146034|0.142206|0.235613|0.109887|0.119294|0.112180|0.089258|0.500000| 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