Version2.1 2021-01-10T11:13:51Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 31-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COC(=O)C[C@@H](c1ccccc1)NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C4CC4 C48344406 RHF 6-31G(d) (6D,7F) COC(=O)C[C@@H](c1ccccc1)NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C4CC4 C01[X(C24H25N3O5)] 165 C1 530 COC(=O)C[C@@H](c1ccccc1)NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 COC(=O)C[C@@H](c1ccccc1)NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 COC(=O)C[C@H](NC(=O)CNC(=O)[C@@H]1N(C2CC2)C(=O)c3ccccc13)c4ccccc4 InChIKey=OYKUQOAJHBVKGN-SIKLNZKXSA-N InChI=1S/C24H25N3O5/c1-32-21(29)13-19(15-7-3-2-4-8-15)26-20(28)14-25-23(30)22-17-9-5-6-10-18(17)24(31)27(22)16-11-12-16/h2-10,16,19,22H,11-14H2,1H3,(H,25,30)(H,26,28)/t19-,22+/m0/s1 InChI=1/C24H25N3O5/c1-32-21(29)13-19(15-7-3-2-4-8-15)26-20(28)14-25-23(30)22-17-9-5-6-10-18(17)24(31)27(22)16-11-12-16/h2-10,16,19,22H,11-14H2,1H3,(H,25,30)(H,26,28)/t19-,22+/m0/s1/f/h25-26H COC(=O)C[C@@H](c1ccccc1)NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C4CC4 C01[X(C24H25N3O5)] 165 C01 530 COC(=O)C[C@@H](c1ccccc1)NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 COC(=O)C[C@@H]([C]1[CH][CH][CH][CH][CH]1)NC(=O)CNC(=O)[C@H]1[C]2[CH][CH][CH][CH][C]2C(=O)N1C1CC1 COC(=O)C[C@H](NC(=O)CNC(=O)[C@H]1[C]2[CH][CH][CH][CH][C]2C(=O)N1C3CC3)[C]4[CH][CH][CH][CH][CH]4 InChIKey=OYKUQOAJHBVKGN-SIKLNZKXSA-N InChI=1S/C24H25N3O5/c1-32-21(29)13-19(15-7-3-2-4-8-15)26-20(28)14-25-23(30)22-17-9-5-6-10-18(17)24(31)27(22)16-11-12-16/h2-10,16,19,22H,11-14H2,1H3,(H,25,30)(H,26,28)/t19-,22+/m0/s1 InChI=1/C24H25N3O5/c1-32-21(29)13-19(15-7-3-2-4-8-15)26-20(28)14-25-23(30)22-17-9-5-6-10-18(17)24(31)27(22)16-11-12-16/h2-10,16,19,22H,11-14H2,1H3,(H,25,30)(H,26,28)/t19-,22+/m0/s1/f/h25-26H 3047.0104997328 -1461.1129408 1-A 20597.2220 115 415 530 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1565.2626 1609.3240 1615.2853 1625.4111 1635.4899 1635.6163 1642.3388 1647.4290 1648.5314 1648.6337 1666.6715 1672.8187 1691.7718 1725.5201 1787.0550 1796.1805 1813.0005 1818.2766 1948.4491 1962.9507 1991.5492 2013.4965 3223.2489 3225.0393 3235.5175 3254.2859 3259.4909 3281.0440 3312.2738 3331.8699 3337.0184 3338.7869 3344.0132 3353.8620 3354.4751 3359.4757 3361.3820 3369.4609 3374.5622 3379.3296 3386.3280 3390.0375 3391.4896 3400.1774 3419.6832 3855.9474 3872.8478 5.5447 5.4471 5.0957 4.0166 6.2102 6.2306 5.3887 6.4965 5.4979 3.8104 3.9642 6.1464 3.9378 4.7612 3.1062 2.6390 3.3391 1.7166 4.2492 3.9834 3.5651 4.9401 4.8764 4.8963 5.3200 5.7792 3.4640 5.4238 6.6995 5.0844 5.7205 3.7915 3.7593 2.4944 3.1664 1.3950 3.8965 1.4353 4.0712 2.5229 4.0099 4.1775 4.7074 3.0268 4.2036 3.6967 4.8009 3.6867 5.4105 5.2562 4.6195 1.9445 3.5517 4.8659 1.9142 1.2184 1.9900 3.1098 2.4783 3.3862 4.0936 2.0902 2.3437 1.2540 2.4838 2.3425 1.9149 4.2603 3.8009 1.7164 2.9221 3.2855 1.8711 4.2555 2.6436 1.4032 2.2180 2.5656 3.1563 1.3667 1.3371 2.4205 2.4090 2.6185 1.5605 2.6692 2.0462 1.3932 1.7121 2.1527 2.0753 3.5026 1.1825 1.9557 1.2741 1.4640 1.1901 1.4360 2.2332 2.0258 2.2234 1.8622 1.6727 1.5543 1.8172 1.2366 1.6571 2.9520 1.6356 2.0682 1.6923 1.8439 1.3334 1.5034 1.4064 1.4994 2.4612 1.7512 2.1871 1.0958 1.0998 2.0324 2.4263 1.2842 1.0473 1.5426 1.3805 1.1309 1.4217 2.1777 1.9616 2.0836 5.1374 6.7424 5.2482 6.3391 10.5253 9.0431 12.4021 11.5075 1.0831 1.0624 1.0640 1.0293 1.1054 1.1019 1.0543 1.0598 1.1090 1.0872 1.0886 1.1091 1.0911 1.0881 1.0879 1.0922 1.0921 1.0955 1.0959 1.0989 1.1191 1.0965 1.1166 1.0784 1.0791 0.0001 0.0002 0.0004 0.0006 0.0027 0.0052 0.0075 0.0119 0.0124 0.0102 0.0138 0.0256 0.0180 0.0359 0.0348 0.0373 0.0482 0.0308 0.0822 0.0839 0.0775 0.1559 0.1701 0.1859 0.2360 0.2980 0.2020 0.3311 0.4302 0.4435 0.5177 0.3677 0.4072 0.2997 0.4061 0.1824 0.5795 0.2378 0.7130 0.4672 0.7803 0.8620 0.9924 0.7349 1.0390 0.9990 1.3138 1.0249 1.6912 1.7363 1.5912 0.6972 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5.1847 41.8042 0.8635 13.3308 1.3609 15.8198 2.7822 104.0237 4.2070 106.5163 3.5833 8.9251 20.7448 25.7843 2.5065 4.2611 6.5364 7.3677 0.5912 38.0753 25.1409 9.6438 16.2333 27.0638 36.3992 7.6478 88.0098 11.4270 29.1821 3.0612 0.9938 12.0575 6.9790 10.3883 6.3673 0.2478 8.1393 2.0374 2.4208 10.6209 22.2242 5.9320 10.1198 11.3076 5.9833 1.4179 13.0653 0.4938 2.7533 17.2189 20.3265 1.2939 0.0095 3.9871 17.6106 14.4775 5.8671 9.4102 2.0965 6.2219 36.2688 18.4311 3.5728 11.6809 5.8484 9.5263 3.7006 28.3235 0.3858 4.4988 2.8093 94.7736 59.6612 48.3372 41.1004 64.2809 91.7205 29.5622 137.5950 26.7682 142.3822 9.3507 85.3150 115.3808 19.0622 101.0480 7.8527 30.5735 145.7025 191.6620 156.5309 1.5525 25.9231 10.5334 42.2806 39.9548 4.4516 2.4034 11.6377 2.8080 9.4550 16.9542 934.9526 23.2109 3.2904 0.4858 1.0781 29.8967 349.6366 23.3786 622.2696 295.5669 29.4442 24.2409 7.9984 38.0954 14.4794 9.0244 18.1403 12.1419 28.2204 1.8078 15.9393 26.1058 10.2947 0.4543 0.9042 15.7721 15.3866 36.1551 23.8752 20.5484 11.9954 12.7384 18.5144 24.8127 97.4876 0.3687 1.4534 1.7712 6.9983 2.5364 2.2090 0.5938 1.1551 2.9686 0.7186 1.1784 1.7523 1.7834 1.0210 0.2490 2.5597 0.8999 0.6761 1.0049 1.1039 0.6713 0.5459 2.1576 1.6045 2.5812 0.8450 0.9311 1.0511 1.4144 2.0700 2.3476 2.1100 3.3577 0.2521 0.4462 1.1095 0.0544 1.4941 2.0380 2.5764 0.7305 1.6797 0.2806 0.4598 2.6759 3.4412 3.6529 1.6808 4.1429 1.5074 1.3022 0.5836 2.3508 2.0233 4.3817 2.8549 1.5509 10.2817 0.9071 1.3824 6.6925 8.3044 4.8381 2.8411 5.3857 2.6862 5.2222 18.2035 5.3030 2.4489 5.4924 6.8183 5.8905 19.4314 5.1777 0.5999 24.3066 1.0413 4.2944 0.4974 0.0720 5.7565 2.8003 2.5529 4.3658 11.0045 2.4099 0.9336 2.2429 6.7157 6.7348 6.9073 0.7119 2.1423 4.7749 2.5280 4.6701 7.7700 28.1490 3.1880 9.4323 5.9237 1.8060 6.5552 2.8298 8.9960 6.1665 2.0533 6.3405 2.0162 1.3268 4.2713 3.3952 0.8592 4.5018 3.0915 12.1197 3.9755 10.3429 9.4048 10.0556 1.1952 3.5633 6.7237 20.4503 3.1330 5.7925 8.9361 7.7826 0.9179 16.3485 1.8224 7.7419 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15.99491 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 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 9346.1740 29209.5255 36573.7858 0.99999 -0.00237 -0.00415 0.00237 1.00000 0.00029 0.00415 -0.00030 0.99999 1 0.00927 0.00297 0.00237 0.19310 0.06179 0.04935 7.57 11.21 16.73 23.55 39.22 54.02 70.11 80.33 88.99 96.83 110.78 120.89 126.90 162.66 198.26 222.95 225.25 251.07 260.66 272.04 276.43 332.96 350.07 365.29 394.76 425.64 452.68 463.14 474.98 553.58 563.87 583.69 616.93 649.67 671.26 677.76 722.89 763.02 784.44 806.59 826.89 851.44 860.65 923.59 931.89 974.40 980.55 988.28 1047.98 1077.33 1100.12 1122.38 1134.52 1163.44 1186.89 1214.54 1241.73 1249.89 1277.80 1291.24 1316.17 1323.91 1333.28 1374.49 1401.06 1407.45 1451.47 1454.17 1476.29 1493.72 1507.04 1547.31 1565.96 1568.37 1575.22 1582.61 1607.92 1610.24 1613.83 1622.37 1624.71 1629.05 1691.04 1709.31 1715.62 1723.02 1723.52 1746.01 1752.02 1758.82 1759.95 1789.19 1822.49 1857.30 1867.96 1876.22 1878.90 1890.70 1891.90 1906.23 1909.61 1912.70 1922.07 1926.40 1951.46 1973.56 1979.16 1986.54 2014.32 2036.26 2072.12 2072.73 2124.10 2151.20 2188.45 2212.63 2234.22 2250.02 2252.06 2315.46 2324.04 2338.60 2353.11 2353.29 2362.96 2370.28 2371.87 2372.02 2397.97 2406.81 2434.08 2482.64 2571.17 2584.30 2608.50 2616.09 2803.38 2824.25 2865.40 2896.97 4637.54 4640.11 4655.19 4682.19 4689.68 4720.69 4765.62 4793.82 4801.23 4803.77 4811.29 4825.46 4826.34 4833.54 4836.28 4847.90 4855.24 4862.10 4872.17 4877.51 4879.60 4892.10 4920.16 5547.85 5572.16 0.496452 0.524772 0.525716 0.428526 -1460.616489 -1460.588169 -1460.587224 -1460.684415 3.259802D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2021 DUDE COC(=O)C[C@@H](c1ccccc1)NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C4CC4 C48344406 RHF 6-31G(d) (6D,10F) C1 435.179421 |X|Y|Z| 68.834060 123.070020 26.698877 60.927901 24 6 7 21 3 |36.858105| |13.426251|73.516695| |8.149568|25.603520|36.858105| |7.218481|15.295033|16.038247|73.516695| |5.182551|14.407177|12.591869|14.142417|36.858105| |3.963468|9.365441|7.538103|11.711238|12.445595|36.858105| |3.868909|8.615680|7.175101|13.212051|8.952440|17.682138|0.500000| |3.098131|6.978542|4.921851|7.847359|7.521447|12.515622|0.248562|36.858105| |2.674987|5.735899|3.978832|6.789260|5.305763|7.564560|0.206272|13.734224|36.858105| |2.274501|4.768256|3.142131|5.341607|4.005757|5.010126|0.133917|7.898989|13.730069|36.858105| |2.172727|4.571868|2.912477|4.817912|3.739814|4.416576|0.111132|6.824759|7.933201|13.773351|36.858105| |2.380425|5.128476|3.225634|5.151908|4.316748|4.991528|0.116507|7.894629|6.889456|7.956808|13.732247|36.858105| |2.850385|6.392380|4.149255|6.408267|6.093357|7.488937|0.155292|13.684267|7.970608|6.893631|7.936909|13.773653|36.858105| |3.877591|8.770203|6.363765|10.256672|7.826720|13.065948|0.259923|7.679172|5.398878|4.045681|3.760874|4.332119|6.131371|53.358707| |3.305401|6.888303|4.788447|8.604875|5.206746|7.751160|0.207780|5.826738|4.823169|3.744983|3.404981|3.710054|4.743237|19.202618|36.858105| |3.010120|6.101567|4.294904|8.199525|4.582912|6.794616|0.215961|5.499794|5.123354|3.922640|3.389964|3.493460|4.259043|11.519449|15.862933|73.516695| |2.997296|5.994452|3.832631|6.792316|3.974569|5.011502|0.131304|4.196839|3.586548|3.015274|2.869610|3.156519|3.826959|10.724176|12.526429|14.220419|36.858105| |2.558441|4.934540|3.126569|5.748328|3.176208|3.917650|0.109018|3.459282|3.169529|2.741387|2.575324|2.724749|3.141323|7.142407|7.917638|12.837561|13.272521|53.358707| |2.270208|4.291319|2.629191|4.787536|2.648232|3.110346|0.085629|2.832765|2.624451|2.347862|2.251758|2.380200|2.667904|5.385902|5.166645|8.514896|7.852865|19.279251|36.858105| |2.249832|4.241656|2.535154|4.524350|2.552013|2.909533|0.078214|2.661585|2.423466|2.191271|2.145175|2.306151|2.579640|5.046710|4.501065|7.072120|6.909962|11.589875|15.883705|73.516695| |1.979770|3.688470|2.257191|4.169603|2.264306|2.632192|0.074179|2.454482|2.357889|2.149736|2.044723|2.107427|2.301169|4.286866|3.974715|7.135074|5.035839|10.698914|12.425240|14.112111|36.858105| |2.020136|3.744037|2.319295|4.365266|2.303766|2.695260|0.077757|2.488617|2.426200|2.191442|2.048210|2.085727|2.283949|4.317725|4.067040|7.695944|4.820793|10.268188|8.845136|10.523538|17.543611|0.500000| |1.780990|3.352017|2.048195|3.735262|2.104866|2.457184|0.068636|2.382717|2.326877|2.176563|2.089968|2.131307|2.270771|3.904122|3.518699|6.379773|4.225967|7.963081|7.614117|10.681579|12.557042|0.244439|36.858105| |1.752880|3.343438|2.064283|3.745995|2.168859|2.581037|0.072058|2.581277|2.570127|2.438980|2.334801|2.344975|2.459816|4.029463|3.625308|6.737838|4.106488|7.301577|5.864823|8.489990|7.232521|0.177569|13.774335|36.858105| |1.572041|2.994063|1.829546|3.292767|1.934531|2.261549|0.062678|2.314511|2.328194|2.274983|2.214371|2.204588|2.252188|3.439780|2.957038|5.436842|3.256812|5.321832|4.244307|6.714965|4.958978|0.124273|8.031236|13.734360|36.858105| |1.454965|2.744179|1.654521|2.971817|1.731107|1.978843|0.054656|2.007293|2.001347|1.961099|1.929251|1.936097|1.974170|3.000893|2.525774|4.565300|2.820736|4.525338|3.770722|6.265750|4.480374|0.109671|6.911860|7.862525|13.681035|36.858105| |1.471269|2.749466|1.646489|2.967006|1.698233|1.921351|0.053118|1.909416|1.879702|1.816422|1.783763|1.810208|1.872136|2.947708|2.488153|4.447591|2.856874|4.665071|4.125412|6.993714|5.174868|0.120816|7.896626|6.767800|7.904006|13.760318|36.858105| |1.617320|3.014934|1.813150|3.289174|1.852369|2.109314|0.058570|2.054596|2.003850|1.899981|1.847949|1.888481|1.989522|3.300227|2.855809|5.094325|3.390551|5.862372|5.605953|9.128100|8.089631|0.169591|13.829831|7.939284|6.966758|8.042254|13.783810|36.858105| |1.642009|3.018838|1.797657|3.275754|1.802216|2.017676|0.056137|1.925097|1.858332|1.744522|1.695214|1.746027|1.859313|3.171957|2.721511|4.794487|3.283971|5.626042|5.627312|9.677028|8.096598|0.169290|8.163349|5.217358|4.531790|5.013030|7.357709|12.818372|36.858105| |1.529129|2.790433|1.644001|2.986217|1.641132|1.808784|0.050192|1.729764|1.669365|1.577337|1.542058|1.589765|1.683405|2.810291|2.354607|4.126053|2.791659|4.549796|4.308754|7.826754|5.439665|0.125104|5.463678|4.012115|3.725915|4.286017|6.170844|7.909806|15.946739|73.516695| |1.831043|3.354925|2.012143|3.705850|1.992250|2.245043|0.062975|2.095163|2.009508|1.852780|1.780756|1.839975|1.992218|3.588542|3.160289|5.577562|3.913716|7.145388|7.693735|12.054880|13.183353|0.253039|8.245714|5.185926|4.126989|4.137463|5.250704|8.359091|13.892983|14.759946|53.358707| |1.903993|3.427635|2.031013|3.759766|1.967233|2.170694|0.060978|1.987692|1.889203|1.729452|1.662647|1.728764|1.887353|3.466323|2.990731|5.204180|3.686808|6.317239|6.269568|10.819269|7.583725|0.184058|5.162287|3.794732|3.160307|3.169331|3.837194|5.206704|7.745398|11.773549|18.151514|36.858105| |1.960159|3.474960|2.069603|3.909899|1.966587|2.157639|0.061756|1.949667|1.868918|1.697514|1.611659|1.662493|1.821666|3.388615|2.920484|5.216199|3.427142|5.778410|5.034385|8.154662|5.939225|0.174173|4.192471|3.308418|2.770161|2.718211|3.145074|4.022815|5.192098|8.264791|10.300872|12.684787|36.858105| |1.731585|3.075998|1.810470|3.369739|1.741318|1.893795|0.053591|1.744569|1.676783|1.546970|1.485150|1.531656|1.656629|2.942817|2.479569|4.388405|2.901540|4.742013|4.248866|7.338267|5.111686|0.137366|3.998675|3.121475|2.717479|2.784591|3.348838|4.222483|6.016777|10.715568|10.322093|12.792148|12.732795|36.858105| |17.636918|16.427783|7.204416|12.802511|4.699253|3.881144|0.106992|2.996431|2.602009|2.206839|2.097846|2.287430|2.735262|5.457946|3.533421|5.688437|3.272435|3.809712|2.481970|4.369823|2.149268|0.061098|1.900883|1.849084|1.643441|1.522784|1.551678|1.722309|1.765492|2.916513|2.711546|2.097725|2.178522|1.900634|0.500000| |17.664398|16.913025|5.947424|9.194783|4.380685|3.409727|0.090667|2.782448|2.410151|2.093418|2.033595|2.241472|2.642810|4.601709|2.905828|4.686054|2.713817|3.172725|2.108321|3.768486|1.844221|0.051802|1.670439|1.640390|1.483552|1.383352|1.401568|1.532317|1.560187|2.602186|2.347727|1.798651|1.836970|1.643789|0.298512|0.500000| |17.636492|16.426355|7.217825|12.782569|4.738954|3.696044|0.103891|2.945474|2.615635|2.230592|2.105842|2.265297|2.670905|4.729928|3.030417|5.069004|2.707938|3.224113|2.103756|3.665910|1.867632|0.053415|1.688442|1.669241|1.502585|1.390228|1.401625|1.534872|1.554562|2.577446|2.353265|1.792957|1.864434|1.647853|0.300316|0.298544|0.500000| |4.628741|11.849066|9.052755|11.909774|17.547673|8.871005|0.210473|7.088305|5.484081|4.214801|3.886619|4.348678|5.786175|7.696908|4.210474|6.997611|3.302222|3.751004|2.337539|3.994854|2.046349|0.058087|1.926490|1.999943|1.806487|1.620510|1.580910|1.707571|1.655484|2.694118|2.468256|1.785966|1.793358|1.600129|0.113210|0.111219|0.125138|0.500000| |4.983218|14.056488|8.925507|10.513911|17.585840|8.733738|0.173977|6.636251|4.618394|3.718298|3.681388|4.491243|6.426033|9.642998|4.726321|7.124106|3.869510|4.145739|2.593374|4.544642|2.196475|0.061108|2.055152|2.110587|1.898197|1.710843|1.681075|1.825273|1.778193|2.892917|2.654107|1.927719|1.901416|1.702121|0.124216|0.124268|0.121217|0.304139|0.500000| |2.699181|5.666829|4.015946|7.224841|4.995946|7.048916|0.230393|8.929115|17.715154|8.920975|5.648209|4.960484|5.658709|6.953710|4.837508|9.892395|3.532225|4.370857|2.635074|4.257247|2.403163|0.069998|2.345925|2.579111|2.313085|1.985764|1.873162|2.009892|1.872034|2.983005|2.778829|1.924746|1.932034|1.717330|0.073576|0.066679|0.074488|0.143885|0.115896|0.500000| |2.076987|4.258963|2.780733|4.836716|3.383014|4.093944|0.114804|5.633807|8.921004|17.716170|8.918539|5.650857|4.962642|4.648275|3.280462|6.286229|2.698166|3.440637|2.190620|3.614636|2.049331|0.058477|2.090622|2.355073|2.220608|1.915903|1.764936|1.833382|1.678745|2.705000|2.415307|1.652708|1.631505|1.491512|0.056193|0.053215|0.057201|0.099530|0.086820|0.215706|0.500000| |1.943496|4.016594|2.509004|4.186866|3.105578|3.535310|0.090993|4.926916|5.640832|8.912839|17.717492|8.902892|5.644812|4.244044|2.891736|5.147840|2.517377|3.138143|2.055666|3.499403|1.893767|0.052546|1.958393|2.193956|2.122155|1.863326|1.712091|1.751860|1.602242|2.606406|2.266863|1.552218|1.501738|1.396301|0.052188|0.051001|0.052550|0.089892|0.085760|0.124161|0.214678|0.500000| |2.225415|4.738881|2.884922|4.591022|3.727026|4.074452|0.096305|5.629079|4.960314|5.652353|8.904916|17.714273|8.931437|5.075742|3.237167|5.353996|2.882439|3.407496|2.236883|3.916284|1.984414|0.054023|2.019762|2.208875|2.106796|1.874241|1.754178|1.814393|1.680520|2.739656|2.387328|1.651060|1.576715|1.466853|0.059339|0.059138|0.058562|0.103654|0.111667|0.107648|0.124142|0.214568|0.500000| |3.046938|6.963738|4.339791|6.460056|6.344935|6.914493|0.139865|8.874217|5.649881|4.960653|5.654571|8.965746|17.689295|8.638942|4.678420|7.080947|3.961559|4.288976|2.708871|4.762205|2.294890|0.062567|2.242308|2.385603|2.181583|1.936509|1.857288|1.981232|1.870968|3.024485|2.730745|1.918195|1.839234|1.676993|0.080943|0.079518|0.077476|0.157118|0.212466|0.124078|0.107653|0.124377|0.216926|0.500000| |3.900755|8.927157|5.880617|8.923289|7.190371|8.987982|0.181228|6.502794|4.580120|3.657970|3.582337|4.311225|6.100864|26.031734|9.437462|10.889631|7.590892|6.648975|3.881729|6.778766|3.033265|0.082759|2.777798|2.834632|2.451560|2.168007|2.141995|2.387612|2.309462|3.665616|3.522169|2.516606|2.417874|2.129163|0.111427|0.097223|0.094383|0.144822|0.212302|0.116672|0.085886|0.083647|0.106986|0.197255|0.500000| |2.775088|5.618011|3.498039|5.980413|3.783449|4.682965|0.117055|4.204877|3.535176|3.058524|3.009554|3.394837|4.080702|9.627303|8.875893|10.961923|17.560340|12.463304|7.035301|12.417996|4.624757|0.117315|4.174558|4.156722|3.384448|2.935864|2.939819|3.415574|3.235836|4.929234|5.024092|3.408680|3.064665|2.701489|0.082363|0.071249|0.069452|0.088205|0.106554|0.093336|0.075237|0.073560|0.087581|0.120228|0.213387|0.500000| |3.332900|6.542829|4.058754|7.171691|3.979649|4.646588|0.121571|3.750427|3.181164|2.689594|2.580377|2.858262|3.467418|9.659455|8.896202|11.011359|17.553015|12.414145|6.851860|11.955912|4.530059|0.120683|3.692950|3.462330|2.828996|2.530795|2.615818|3.099054|3.132416|4.836073|5.128698|3.767380|3.544889|2.973020|0.104064|0.083854|0.081820|0.090721|0.109140|0.087444|0.067215|0.063377|0.073524|0.102479|0.204683|0.303221|0.500000| |2.503680|4.813085|3.111471|5.866092|3.155506|3.972460|0.115413|3.521684|3.340304|2.863294|2.621522|2.707270|3.097501|6.866547|7.828096|15.510326|9.168973|26.037939|9.262289|10.811043|7.397915|0.232372|5.707792|5.512430|3.954573|3.286181|3.322769|4.119268|3.877160|5.592351|6.647165|4.282635|4.153878|3.356344|0.075728|0.062788|0.065437|0.077129|0.082028|0.096702|0.074250|0.065119|0.068206|0.084104|0.123879|0.187237|0.190266|0.500000| |1.872390|3.607591|2.263467|4.122605|2.404220|2.941255|0.082791|2.959930|2.980491|2.796134|2.628427|2.616519|2.764590|4.591299|4.259666|8.213788|4.621021|8.252186|5.827882|8.146778|6.471621|0.174341|8.848393|17.716080|8.891386|5.609964|4.897142|5.631840|4.247366|6.007674|6.129417|3.494043|3.168406|2.889854|0.054740|0.048277|0.049611|0.061454|0.064287|0.083595|0.074809|0.067772|0.067298|0.073317|0.087681|0.127594|0.104099|0.184830|0.500000| |1.533033|2.936596|1.800126|3.228457|1.925881|2.259545|0.062576|2.365341|2.418951|2.410973|2.352262|2.305380|2.311792|3.370928|2.853265|5.293535|3.031797|4.767156|3.619306|5.791211|4.013100|0.104585|5.687550|8.937859|17.715061|8.918991|5.639901|5.000369|3.609519|5.477777|4.599512|2.707278|2.434212|2.370037|0.044181|0.040193|0.040855|0.050376|0.052442|0.066425|0.065967|0.063237|0.061175|0.061448|0.066477|0.088045|0.072993|0.099774|0.215221|0.500000| |1.355164|2.554156|1.532921|2.743651|1.608558|1.822465|0.050228|1.867019|1.871519|1.858549|1.842508|1.839736|1.851823|2.725392|2.251139|4.063618|2.469553|3.841582|3.125643|5.300449|3.577097|0.089904|4.972666|5.622236|8.912392|17.721659|8.918366|5.685687|4.046549|6.519935|4.614391|2.717847|2.373266|2.449792|0.039187|0.035937|0.036067|0.042127|0.044296|0.051393|0.050734|0.049973|0.049843|0.050401|0.054891|0.071724|0.062176|0.077681|0.123874|0.216114|0.500000| |1.380542|2.564610|1.523226|2.740097|1.563617|1.745618|0.048188|1.732765|1.703141|1.652380|1.630966|1.657857|1.708550|2.658207|2.207005|3.922650|2.517581|4.004911|3.508891|6.147514|4.245572|0.101526|5.633753|4.898625|5.612180|8.844734|17.733796|8.915251|6.638442|11.543133|6.277366|3.574951|2.940807|3.246928|0.040398|0.036726|0.036572|0.040582|0.043156|0.047099|0.044683|0.043708|0.044918|0.047304|0.053985|0.071969|0.065278|0.078958|0.106598|0.123693|0.212580|0.500000| |1.992450|3.583618|2.099423|3.845807|2.027830|2.214995|0.061439|2.015814|1.888427|1.725324|1.672536|1.759314|1.932161|3.583604|3.045791|5.141521|3.867152|6.308821|6.331882|12.482744|6.347698|0.149595|4.570583|3.490119|2.947100|2.953907|3.521430|4.598353|6.401457|10.327624|12.273459|17.719132|8.616946|8.647037|0.061243|0.052604|0.051582|0.050786|0.055756|0.052991|0.045460|0.043285|0.046904|0.055199|0.073564|0.100672|0.113694|0.113572|0.090345|0.070950|0.071182|0.092109|0.500000| |2.106880|3.681733|2.176501|4.134900|2.030992|2.197489|0.062941|1.955607|1.859234|1.676931|1.591839|1.650861|1.823038|3.453906|2.935037|5.178308|3.419759|5.506368|4.570323|7.642647|4.836963|0.141436|3.542605|2.911569|2.463965|2.399911|2.716556|3.362565|4.142186|6.781972|7.624627|8.593119|17.711693|8.555825|0.065909|0.054800|0.055518|0.051255|0.054515|0.053443|0.044608|0.041073|0.043479|0.051431|0.068669|0.083974|0.101870|0.108980|0.079110|0.061161|0.058972|0.071037|0.212211|0.500000| |1.935294|3.446489|2.080077|3.970743|1.983719|2.202022|0.063880|1.996441|1.938893|1.758642|1.653023|1.688126|1.844848|3.420434|2.989656|5.510073|3.403148|5.890814|4.893726|7.463042|6.196239|0.205891|4.394730|3.515293|2.905208|2.802373|3.187723|4.067590|4.937412|7.612861|9.593927|8.582746|17.708515|8.623486|0.059443|0.050008|0.051585|0.050505|0.052738|0.056241|0.047245|0.042773|0.044196|0.051195|0.066688|0.083611|0.095059|0.124010|0.094612|0.071058|0.067704|0.081569|0.171259|0.292611|0.500000| |1.603514|2.860148|1.689578|3.144278|1.638280|1.788258|0.050756|1.667221|1.619260|1.505688|1.444051|1.477813|1.584143|2.745668|2.310256|4.145618|2.651995|4.346566|3.831005|6.487106|4.852580|0.132549|4.047954|3.169873|2.808814|2.930312|3.573625|4.439017|6.313574|11.687245|9.647419|8.660913|8.606900|17.748886|0.048470|0.042299|0.042650|0.042118|0.044402|0.046142|0.040583|0.037901|0.039335|0.044258|0.054927|0.069230|0.073949|0.087223|0.080330|0.067770|0.071758|0.097539|0.172188|0.170614|0.211975|0.500000| 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