Version2.0 2020-01-07T07:58:00Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 29-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)c(cn2Cc3ccc(cc3)Cl)CC(=O)N4CC[NH+](CC4)Cc5ccc6c(c5)OCO6 C09523662 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)c(cn2Cc3ccc(cc3)Cl)CC(=O)N4CC[NH+](CC4)Cc5ccc6c(c5)OCO6 C01[X(C29H29Cl1N3O3)] 189 C1 602 Clc1ccc(cc1)Cn1cc(c2c1cccc2)CC(=O)N1CC[NH+](CC1)Cc1ccc2c(c1)OCO2 Clc1ccc(cc1)Cn1cc(c2c1cccc2)CC(=O)N1CC[NH+](CC1)Cc1ccc2c(c1)OCO2 Clc1ccc(Cn2cc(CC(=O)N3CC[NH+](CC3)Cc4ccc5OCOc5c4)c6ccccc26)cc1 InChIKey=WNYODGDUDIFPPI-UHFFFAOYSA-O InChI=1S/C29H28ClN3O3/c30-24-8-5-21(6-9-24)18-33-19-23(25-3-1-2-4-26(25)33)16-29(34)32-13-11-31(12-14-32)17-22-7-10-27-28(15-22)36-20-35-27/h1-10,15,19H,11-14,16-18,20H2/p+1 InChI=1/C29H28ClN3O3/c30-24-8-5-21(6-9-24)18-33-19-23(25-3-1-2-4-26(25)33)16-29(34)32-13-11-31(12-14-32)17-22-7-10-27-28(15-22)36-20-35-27/h1-10,15,19H,11-14,16-18,20H2/p+1/fC29H29ClN3O3/h31H/q+1 c1ccc2c(c1)c(cn2Cc3ccc(cc3)Cl)CC(=O)N4CC[NH+](CC4)Cc5ccc6c(c5)OCO6 C01[X(C29H29Cl1N3O3)] 189 C01 602 Clc1ccc(cc1)Cn1cc(c2c1cccc2)CC(=O)N1CC[NH+](CC1)Cc1ccc2c(c1)OCO2 Clc1ccc(cc1)Cn1cc(c2c1cccc2)CC(=O)N1CC[NH](CC1)Cc1ccc2c(c1)OCO2 Clc1ccc(Cn2cc(CC(=O)N3CC[NH](CC3)Cc4ccc5OCOc5c4)c6ccccc26)cc1 InChIKey=UGRONZZUNQQYFB-UHFFFAOYSA-N InChI=1S/C29H29ClN3O3/c30-24-8-5-21(6-9-24)18-33-19-23(25-3-1-2-4-26(25)33)16-29(34)32-13-11-31(12-14-32)17-22-7-10-27-28(15-22)36-20-35-27/h1-10,15,19,31H,11-14,16-18,20H2 InChI=1/C29H29ClN3O3/c30-24-8-5-21(6-9-24)18-33-19-23(25-3-1-2-4-26(25)33)16-29(34)32-13-11-31(12-14-32)17-22-7-10-27-28(15-22)36-20-35-27/h1-10,15,19,31H,11-14,16-18,20H2 3598.2021453509 -1962.2791855 1-A 36370.4091 132 470 602 |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| 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|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|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| 5.3947 7.0754 16.1193 22.6169 24.2514 28.1003 36.0612 39.5007 52.2747 62.8787 79.7910 86.7586 105.9654 131.0399 145.4671 163.5942 189.1919 203.6261 211.4884 224.2528 252.7656 258.7774 269.7307 276.5533 306.3510 319.8745 333.6708 355.8051 368.8592 381.8777 392.0745 410.3614 453.7974 460.1879 463.6797 469.4944 475.0115 482.6355 488.6583 517.4527 548.9290 558.6356 578.6695 595.2520 599.4123 624.3137 630.0417 640.3436 665.8935 675.3476 691.6323 704.3208 711.6131 725.0389 756.4816 790.3348 798.0285 804.3913 823.2005 836.4773 837.9011 841.7248 861.7572 869.3816 882.0055 888.5297 902.0936 914.0944 933.9503 939.0560 948.5018 956.6410 966.1484 980.2255 989.0286 1011.9204 1023.2960 1041.3884 1048.2853 1056.3398 1059.5421 1062.9421 1066.7223 1093.7506 1104.2972 1106.4211 1111.7477 1116.3656 1119.0551 1121.8125 1134.8083 1142.8722 1154.7545 1171.3162 1176.2001 1191.4667 1207.3434 1210.0363 1223.5445 1228.1845 1240.3829 1242.9261 1254.8885 1258.6828 1282.2463 1291.9264 1299.6855 1307.5350 1309.9520 1320.7035 1328.0527 1330.2429 1335.8984 1340.6894 1351.8401 1359.1683 1384.2643 1390.1185 1405.5974 1423.9449 1429.2259 1450.8240 1468.2994 1473.4689 1482.0542 1495.1976 1502.9280 1512.7135 1515.7229 1532.6843 1539.6487 1546.1364 1553.6602 1564.4679 1568.3197 1574.9887 1582.7625 1584.7697 1598.1078 1609.3523 1617.6289 1628.5214 1635.0157 1642.3622 1643.2540 1645.5224 1649.9847 1651.9013 1657.8622 1675.2256 1679.2074 1712.9958 1752.7906 1772.5165 1782.5636 1805.3813 1809.1967 1818.4184 1818.6967 1990.2174 3168.6327 3174.7898 3192.2837 3235.5479 3239.2764 3271.5686 3278.3566 3283.8800 3288.3927 3298.7323 3333.4916 3339.9727 3350.0180 3352.0191 3352.3546 3355.5236 3360.3675 3361.7824 3363.8627 3367.4043 3376.0079 3381.0182 3388.3542 3392.6204 3402.5308 3403.4947 3415.1591 3426.3307 3680.9042 8.5764 6.5187 5.4204 5.5018 4.0567 5.7769 6.2495 4.4698 6.2015 4.9785 2.6994 4.1816 6.9607 5.2780 4.4079 4.4244 5.7557 5.8896 5.0259 4.1539 4.4144 3.4183 3.8002 2.3994 3.5260 2.7802 5.3593 5.5404 2.0759 3.4733 4.0555 5.9805 4.8501 3.4451 3.6879 3.1521 3.0890 3.4931 2.5995 2.6713 3.1946 2.8286 5.4295 5.2095 3.4779 4.0829 3.7639 4.5991 4.8596 3.9550 5.9737 4.9383 3.5363 4.3030 3.5931 5.5857 3.9158 7.1595 4.9811 3.7216 1.4073 4.8006 3.6692 3.1264 4.3671 3.1887 6.2627 1.6294 1.5028 1.4530 1.2516 1.5200 1.5983 2.2783 1.4871 2.8494 2.9137 2.9445 2.1426 1.3858 1.3634 1.8794 1.9247 1.5222 1.3130 1.3843 3.7434 6.7926 2.2701 3.2706 2.4881 1.7508 2.4638 3.4638 3.4327 2.2746 3.2257 2.7697 1.7722 1.9645 2.8212 1.9067 1.5190 1.4898 2.6878 1.7540 1.5143 1.1587 1.1073 2.2775 1.4039 2.1345 1.9766 1.4862 1.4625 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0.7723 0.7549 0.6634 0.8196 0.8790 1.2898 0.8570 1.7191 1.7976 1.8814 1.3873 0.9111 0.9018 1.2511 1.2904 1.0729 0.9434 0.9984 2.7260 4.9877 1.6750 2.4250 1.8878 1.3474 1.9357 2.8000 2.7980 1.9024 2.7703 2.3894 1.5632 1.7460 2.5574 1.7355 1.4093 1.3907 2.6037 1.7248 1.5071 1.1671 1.1195 2.3406 1.4589 2.2254 2.0783 1.5739 1.5747 1.9245 2.2784 1.9657 1.8208 1.6803 2.2818 1.6563 1.8610 1.9497 1.6811 3.9035 2.3963 1.8001 2.3921 3.3334 1.8940 3.1922 2.2107 2.1978 2.0280 3.0666 2.1964 2.1239 2.0758 1.7195 4.4545 1.7302 3.6550 1.8067 1.7460 1.9740 1.8950 3.3362 1.7975 3.7713 5.5584 1.9870 9.8210 11.5912 11.8009 12.2874 10.3993 13.6120 11.3211 28.1959 6.3646 6.3891 6.3873 6.7814 6.6057 6.6858 6.7190 6.7480 6.7398 7.0435 7.2775 7.3009 7.2093 7.2300 7.2052 7.3620 7.2629 7.2648 7.4506 7.2806 7.3244 7.3702 7.3995 7.4440 7.4699 7.4781 7.5291 7.5969 8.6070 0.8143 0.2226 0.2282 0.3924 0.4418 1.8325 3.6407 0.9453 0.1375 1.2008 13.2368 0.7957 1.3468 0.5890 0.0764 2.9015 3.4550 2.0127 2.1181 2.1745 3.5320 0.7128 1.0488 0.9494 0.2763 0.3543 2.4401 8.5748 8.2395 0.4344 1.4422 19.1279 9.5238 1.1459 1.7298 2.0371 10.1340 1.0596 7.8730 0.8882 8.8785 8.8918 2.4048 12.0034 0.9926 13.7339 10.5434 16.9635 2.9318 8.9769 2.9091 3.4818 15.9915 1.7637 9.2356 0.7897 5.7031 2.6677 13.4494 11.6109 69.2376 1.5221 7.2281 20.0879 24.2931 19.6968 6.7265 8.9530 42.4817 37.7183 0.2014 0.5256 3.5090 36.4347 29.3151 8.5714 100.1331 16.0643 7.5592 0.5211 12.3634 4.8046 33.2289 1.3180 0.1341 0.9402 27.1521 47.0898 2.5933 36.7296 3.2767 8.5517 26.5777 56.2955 70.6704 11.0397 54.6553 25.8054 100.4394 140.6616 5.6684 28.4165 3.6678 11.3953 15.3772 130.9353 91.6190 3.6090 7.8129 6.6103 4.2006 341.0021 76.8790 3.9219 7.8395 16.9670 35.3196 94.2676 18.4501 25.7990 43.4204 7.3588 36.6007 10.5994 24.2741 243.4463 6.2816 35.5102 23.3960 41.3818 1.2959 22.1504 182.9875 13.8761 249.6463 38.4817 44.2808 18.6983 12.8701 15.2193 137.3530 4.3811 96.1135 0.0928 1.9456 7.0041 28.3910 16.0313 8.5701 55.6125 359.8907 2.5733 42.5894 2.5364 7.3074 14.1928 10.4717 1.4538 30.4908 293.1863 9.9928 58.4964 44.7097 11.5196 37.6790 1.1355 9.1098 5.8585 90.2987 8.2286 0.1425 7.3023 3.3776 11.0946 16.2605 3.4375 8.8614 12.9709 30.5662 8.6058 8.7154 39.2750 1.9118 21.3343 6.9932 0.5701 0.2875 2.0138 29.8133 2.0232 1.1979 1.5191 4.6729 7.7600 3.1660 1.3627 2.2566 3.2334 1.0336 0.4050 0.2263 0.3321 1.3117 5.2484 0.5260 2.5870 1.3040 1.1882 1.9706 0.5121 1.6945 1.2229 0.6117 0.6531 0.3643 3.3708 1.1617 0.4680 3.3228 1.1732 2.6055 4.0268 0.9636 2.4552 1.3536 0.6321 2.6206 0.6741 2.3448 0.6838 2.2763 2.2978 3.4262 0.5642 6.3099 0.5117 4.8903 2.5986 3.7011 6.9479 4.0565 2.2413 0.8745 1.1664 0.8606 2.3392 6.9789 13.3211 10.8180 0.9182 2.6014 21.5114 2.2185 29.2122 3.5043 17.9397 2.4603 1.4631 0.7178 1.9874 1.0977 3.9147 2.6458 1.5769 3.9539 7.1627 5.4328 6.8857 0.2934 4.5340 1.0074 1.7122 1.0227 0.4838 0.2118 0.7253 1.9591 18.3966 6.9831 7.6054 1.0332 10.3183 9.0724 5.9823 3.7764 19.6647 6.2995 2.3890 1.8489 12.6736 7.1326 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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 13275.0261 57353.3199 66454.1380 0.99998 0.00549 -0.00077 -0.00550 0.99997 -0.00502 0.00074 0.00503 0.99999 1 0.00652 0.00151 0.00130 0.13595 0.03147 0.02716 7.76 10.18 23.19 32.54 34.89 40.43 51.88 56.83 75.21 90.47 114.80 124.83 152.46 188.54 209.29 235.38 272.20 292.97 304.28 322.65 363.67 372.32 388.08 397.90 440.77 460.23 480.08 511.92 530.71 549.44 564.11 590.42 652.91 662.11 667.13 675.50 683.44 694.40 703.07 744.50 789.79 803.75 832.58 856.43 862.42 898.25 906.49 921.31 958.07 971.67 995.10 1013.36 1023.85 1043.17 1088.41 1137.12 1148.18 1157.34 1184.40 1203.50 1205.55 1211.05 1239.88 1250.85 1269.01 1278.40 1297.91 1315.18 1343.75 1351.09 1364.68 1376.39 1390.07 1410.33 1422.99 1455.93 1472.29 1498.33 1508.25 1519.84 1524.44 1529.34 1534.78 1573.66 1588.84 1591.89 1599.56 1606.20 1610.07 1614.04 1632.74 1644.34 1661.43 1685.26 1692.29 1714.25 1737.10 1740.97 1760.41 1767.08 1784.63 1788.29 1805.50 1810.96 1844.87 1858.79 1869.96 1881.25 1884.73 1900.20 1910.77 1913.92 1922.06 1928.95 1945.00 1955.54 1991.65 2000.07 2022.34 2048.74 2056.34 2087.41 2112.56 2119.99 2132.35 2151.26 2162.38 2176.46 2180.79 2205.19 2215.21 2224.55 2235.37 2250.92 2256.46 2266.06 2277.24 2280.13 2299.32 2315.50 2327.41 2343.08 2352.42 2362.99 2364.28 2367.54 2373.96 2376.72 2385.29 2410.28 2416.00 2464.62 2521.87 2550.26 2564.71 2597.54 2603.03 2616.30 2616.70 2863.48 4558.96 4567.81 4592.98 4655.23 4660.60 4707.06 4716.82 4724.77 4731.26 4746.14 4796.15 4805.48 4819.93 4822.81 4823.29 4827.85 4834.82 4836.86 4839.85 4844.94 4857.32 4864.53 4875.09 4881.22 4895.48 4896.87 4913.65 4929.73 5296.00 0.577048 0.605885 0.606829 0.508441 -1961.702137 -1961.673301 -1961.672356 -1961.770744 3.299950D-04 MUNgauss RevisionA2.0 retrievium 07-Jan-2020 DUDE c1ccc2c(c1)c(cn2Cc3ccc(cc3)Cl)CC(=O)N4CC[NH+](CC4)Cc5ccc6c(c5)OCO6 C09523662 RHF 6-31G(d) (6D,10F) C1 502.189745 |X|Y|Z| 77.527324 36.588133 170.355439 78.472414 34 6 7 8 29 3 2 |36.858105| |13.576005|36.858105| |7.862248|13.858392|36.858105| |6.909392|8.030143|13.640475|36.858105| |7.971528|6.880056|7.805655|13.604095|36.858105| |13.870961|7.897913|6.756277|7.879554|13.626169|36.858105| |5.017384|4.555938|5.265549|8.354252|13.207562|7.291027|36.858105| |4.179879|4.193530|5.300168|8.573298|8.528654|5.267469|14.122759|36.858105| |4.630091|5.143949|7.562956|13.832638|8.478271|5.344360|8.502923|13.917831|53.358707| |3.630460|4.210193|6.012609|7.513712|5.203491|3.878732|5.250998|7.642774|17.897941|36.858105| |3.078089|3.471892|4.561471|5.341704|4.177582|3.276931|4.383574|6.028802|10.434977|12.551948|36.858105| |2.528942|2.790608|3.470537|3.927755|3.291358|2.684108|3.548654|4.674064|7.125741|7.562118|13.748506|36.858105| |2.232456|2.428465|2.905793|3.201292|2.793834|2.353874|3.000052|3.718086|5.397505|5.008446|7.888892|13.730540|36.858105| |2.274214|2.464964|2.907348|3.162016|2.792073|2.385468|2.950610|3.531514|5.115811|4.437597|6.863833|7.983813|13.807532|36.858105| |2.645837|2.893539|3.457702|3.765130|3.269128|2.769589|3.374996|4.009264|5.991641|5.004822|7.898335|6.888855|7.922355|13.747595|36.858105| |3.175425|3.561975|4.534172|5.120052|4.144832|3.347130|4.208491|5.278067|8.652999|7.521877|13.692087|7.975192|6.876821|7.974174|13.789170|36.858105| |1.924641|2.052474|2.331264|2.481707|2.268442|2.003790|2.385138|2.723841|3.832478|3.157098|4.217804|4.772093|7.043614|10.940952|7.037141|4.773545|448.794386| |4.072839|3.546632|3.797209|5.095587|7.230795|5.730970|12.731184|7.502141|7.031625|3.806733|3.422942|2.956051|2.608749|2.584452|2.875765|3.355220|17.454263|36.858105| |3.759160|3.228493|3.340132|4.204045|5.654135|5.079722|7.519881|5.370949|5.634320|3.226691|2.841698|2.529156|2.239619|2.185874|2.375048|2.724876|15.055115|12.502117|36.858105| |3.970105|3.427249|3.529549|4.372709|5.722129|5.240241|6.770004|5.131373|5.720518|3.293460|2.796719|2.487157|2.173226|2.096806|2.268824|2.629615|14.385967|7.953384|16.006894|73.516695| |3.058946|2.653713|2.698644|3.233645|4.070669|3.880749|5.010056|3.990653|4.377310|2.647038|2.414741|2.206689|2.001775|1.964072|2.104170|2.343159|13.856677|7.653610|13.654316|15.141854|53.358707| |2.764099|2.409366|2.407783|2.779902|3.372384|3.351331|3.840906|3.212133|3.712813|2.311091|2.098392|1.940729|1.767955|1.726955|1.833187|2.025875|12.320823|4.999804|7.844398|12.692978|17.932727|36.858105| |2.273937|2.035943|2.054487|2.340976|2.727461|2.668990|3.113281|2.744472|3.201344|2.055035|1.902487|1.796790|1.657531|1.613462|1.686974|1.833025|11.671163|3.910076|5.241210|8.542925|10.657719|12.541097|36.858105| |2.131927|1.909193|1.922289|2.181596|2.535572|2.491756|2.896709|2.562112|2.988858|1.929355|1.825502|1.729554|1.619235|1.594002|1.666898|1.786543|11.666559|3.692238|4.492198|6.917596|9.079760|7.674015|12.680733|53.358707| |2.148375|1.904231|1.891674|2.124460|2.482309|2.497577|2.769143|2.421861|2.864113|1.845047|1.746135|1.644697|1.544028|1.530837|1.610525|1.724223|11.242289|3.490515|4.198672|6.542069|8.199994|7.141974|9.303048|25.681449|0.500000| |2.275221|2.037717|2.075165|2.400151|2.821233|2.711014|3.346071|2.934889|3.330096|2.126231|2.035721|1.920822|1.802793|1.784892|1.874724|2.006645|13.010662|4.515926|5.146884|7.303636|10.659372|6.628706|7.722285|17.286720|0.259605|36.858105| |2.768588|2.414247|2.442921|2.881851|3.555469|3.437449|4.302669|3.528160|3.918544|2.414264|2.279613|2.098235|1.945051|1.938740|2.077610|2.264551|13.900008|6.476295|7.562494|9.485859|17.968143|7.884092|6.615607|10.417122|0.198178|12.500539|36.858105| |1.825251|1.663430|1.681745|1.883991|2.131220|2.084844|2.405321|2.198162|2.606422|1.720888|1.646549|1.583929|1.498007|1.470841|1.519531|1.608453|10.903708|2.927098|3.379759|5.416696|6.052363|4.955687|7.609875|17.088929|0.259093|7.560240|4.932846|36.858105| |1.698343|1.550013|1.559384|1.730995|1.946775|1.920710|2.169479|1.990358|2.384906|1.584674|1.536380|1.480329|1.416501|1.404484|1.451391|1.519339|10.537586|2.607035|2.874689|4.589725|4.938605|3.826209|4.972176|10.322158|0.204049|6.142605|4.269471|12.661753|36.858105| |1.638045|1.488899|1.481471|1.624975|1.825607|1.832894|1.991866|1.818824|2.210831|1.470917|1.423582|1.366402|1.309470|1.304437|1.353331|1.415522|9.822607|2.355408|2.595409|4.213744|4.358245|3.462820|4.250738|7.991562|0.183064|4.724145|3.692333|7.633922|13.768632|36.858105| |1.520722|1.388424|1.378414|1.500258|1.672049|1.684522|1.807267|1.661622|2.038274|1.365369|1.333110|1.282501|1.239137|1.242013|1.287451|1.335424|9.441243|2.104800|2.256094|3.674470|3.664574|2.822309|3.270225|5.752331|0.129472|3.773707|3.114925|5.014494|7.835639|13.609708|36.858105| |1.468488|1.350055|1.349303|1.471896|1.630245|1.626202|1.774168|1.646836|2.016089|1.357797|1.338905|1.294989|1.260176|1.266310|1.307063|1.345215|9.692892|2.060943|2.159409|3.490470|3.462515|2.578027|2.953712|5.160555|0.110547|3.641583|2.983107|4.486149|6.947123|8.090054|13.946583|36.858105| |1.509755|1.393704|1.406042|1.547781|1.712865|1.684555|1.894111|1.769270|2.143570|1.444648|1.430468|1.389939|1.354025|1.356495|1.393844|1.432310|10.373353|2.220398|2.309375|3.690907|3.727365|2.713991|3.162763|5.645891|0.114484|4.177914|3.257863|5.077048|8.054281|6.975078|7.911122|13.728182|36.858105| |1.619984|1.491803|1.512196|1.681059|1.872845|1.827059|2.101707|1.955995|2.340258|1.567509|1.540760|1.495667|1.445037|1.437097|1.476466|1.529738|10.875638|2.508102|2.660218|4.213753|4.425184|3.236296|3.965562|7.539138|0.143876|5.492269|3.896424|7.547134|13.525638|7.861480|6.723579|7.917317|13.972531|36.858105| |1.421730|1.322768|1.339504|1.469808|1.610563|1.576283|1.777317|1.679749|2.045798|1.390682|1.391855|1.360761|1.338171|1.345883|1.375906|1.399793|10.401748|2.053841|2.087978|3.347541|3.279951|2.343178|2.652328|4.506284|0.090577|3.473196|2.835704|3.841827|5.202198|4.693625|5.405753|8.551415|14.165672|7.800446|73.516695| |1.332730|1.240606|1.248340|1.356661|1.480786|1.463467|1.610490|1.521241|1.874237|1.278338|1.279796|1.249430|1.232057|1.244280|1.274308|1.292898|9.670743|1.836389|1.865327|3.022848|2.890618|2.088014|2.320573|3.841410|0.079342|2.889975|2.461186|3.196187|4.208835|4.219248|5.349960|8.580294|8.581172|5.353947|23.931217|36.858105| |1.366434|1.263088|1.261559|1.367096|1.501749|1.499857|1.621681|1.516289|1.872035|1.269507|1.260654|1.222858|1.198441|1.209852|1.246366|1.273164|9.344623|1.855867|1.912540|3.109884|2.993193|2.202774|2.454207|4.106087|0.087421|2.981716|2.548196|3.420064|4.684650|5.219761|7.797399|14.197454|8.566367|5.415129|14.921238|13.470888|73.516695| |17.723017|8.880001|5.628061|4.971571|5.654570|8.960341|4.039845|3.413721|4.997585|3.017884|2.632426|2.217726|1.991557|2.036809|2.341771|2.729118|14.119862|3.521884|3.367150|6.301487|3.875590|2.638802|2.182338|2.799761|0.058271|2.165662|2.611676|1.767799|1.656234|1.615370|1.506162|1.446919|1.474366|1.572292|2.464769|1.308634|2.399315|0.500000| |8.881992|17.721431|8.989808|5.684611|4.956147|5.641907|3.625547|3.426519|5.618337|3.633096|3.089338|2.544826|2.248956|2.290120|2.659865|3.184434|15.560074|2.958397|2.749439|5.184324|3.165795|2.151323|1.844992|2.364163|0.048302|1.836073|2.139023|1.529964|1.434056|1.386127|1.299783|1.263614|1.298345|1.381379|2.197257|1.165885|2.111841|0.215496|0.500000| |5.609992|8.945157|17.732572|8.795754|5.568084|4.892400|4.286940|4.599482|9.060203|6.364714|4.835016|3.681750|3.059101|3.036620|3.586392|4.713750|19.395058|3.227485|2.876926|5.391436|3.242753|2.151136|1.871118|2.389970|0.047868|1.886928|2.176719|1.556591|1.448278|1.376393|1.286050|1.263277|1.317023|1.411401|2.242192|1.178017|2.109021|0.124006|0.216611|0.500000| |8.951867|5.622392|4.890075|5.604715|8.834988|17.702262|6.461130|4.564959|5.888913|3.278563|2.860676|2.410910|2.150533|2.183503|2.498289|2.927653|15.007991|6.044822|5.677683|10.052896|6.023759|3.811917|2.945842|3.760037|0.078071|2.998224|3.928626|2.265809|2.087415|2.003008|1.831917|1.754413|1.807892|1.964739|2.981236|1.557077|2.859482|0.215804|0.124113|0.106477|0.500000| |3.384568|3.411574|4.178879|5.897522|5.793417|4.093682|8.699880|17.772057|12.250525|6.971589|6.157300|5.190308|4.100493|3.760994|4.074577|5.126865|23.168115|6.489097|4.873655|8.101699|5.219364|3.094363|2.733926|3.498650|0.066514|2.975011|3.454606|2.237560|2.022109|1.826437|1.668174|1.666743|1.809957|2.010331|3.071072|1.552976|2.728463|0.079612|0.080407|0.106298|0.103205|0.500000| |3.212882|3.620809|4.842875|5.884339|4.508782|3.456395|4.776581|6.876501|12.504567|17.573561|8.896673|7.334714|4.784666|3.996879|4.187012|5.589788|23.607878|3.628108|3.194244|5.891562|3.591506|2.329121|2.092004|2.644258|0.051194|2.124435|2.375846|1.743809|1.592564|1.471471|1.359963|1.351578|1.442607|1.573568|2.465015|1.270684|2.240669|0.075700|0.088451|0.140914|0.083327|0.193006|0.500000| |3.757679|4.640612|6.950866|7.269249|4.814151|3.794493|4.452892|5.709622|12.633507|17.623540|8.885898|6.088087|4.383323|4.000800|4.542357|6.516378|23.628795|3.320494|2.903255|5.361926|3.278690|2.145048|1.906024|2.432398|0.047850|1.943112|2.199430|1.600136|1.479486|1.385171|1.290313|1.278865|1.350948|1.457608|2.312186|1.203610|2.132492|0.086902|0.113870|0.236033|0.087953|0.141171|0.305080|0.500000| |2.400557|2.637310|3.251882|3.667931|3.106888|2.548611|3.373727|4.427671|6.621986|7.013045|8.912058|17.703231|8.955100|5.676334|4.959193|5.654930|31.650639|2.843956|2.500172|4.433217|2.975924|1.942888|1.809533|2.347611|0.045338|1.898242|2.053488|1.587188|1.472885|1.356545|1.268327|1.277934|1.373066|1.483886|2.383660|1.229199|2.139922|0.058761|0.067094|0.095858|0.063972|0.139424|0.225406|0.159765|0.500000| |1.994473|2.150900|2.524589|2.752153|2.449855|2.097746|2.638051|3.196521|4.535486|4.086481|5.623680|8.887658|17.748196|8.934299|5.642259|4.956395|53.787985|2.351418|2.059078|3.561311|2.540222|1.664504|1.578886|2.102226|0.040820|1.709764|1.817923|1.443447|1.367114|1.262709|1.197173|1.220841|1.313892|1.399928|2.317601|1.200768|2.068968|0.049954|0.055831|0.073649|0.053837|0.098712|0.113743|0.101760|0.215625|0.500000| |2.588636|2.800072|3.237180|3.444244|3.076830|2.684993|3.122004|3.533398|5.182846|4.079802|5.625668|4.962585|5.646232|8.921056|17.747251|8.909984|53.829454|2.721570|2.252866|3.802698|2.747289|1.763079|1.623844|2.203606|0.043735|1.821496|2.020035|1.477361|1.423441|1.334194|1.276977|1.298825|1.379798|1.451079|2.429931|1.272206|2.212323|0.064430|0.072237|0.092181|0.067917|0.097794|0.096181|0.106321|0.107670|0.124269|0.500000| |3.743972|4.257951|5.495573|6.128850|4.844561|3.910594|4.624078|5.482266|9.348169|6.966798|8.897681|5.658877|4.954116|5.669004|8.966366|17.718426|31.651613|3.585752|2.873064|4.926849|3.325454|2.105038|1.878142|2.491562|0.049442|2.054992|2.359807|1.632678|1.544165|1.446526|1.364598|1.368402|1.448985|1.545360|2.506702|1.306345|2.300050|0.087809|0.103721|0.153930|0.092820|0.136788|0.140552|0.179109|0.124121|0.107584|0.215739|0.500000| |3.363964|3.052009|3.327560|4.358143|5.473048|4.393284|8.961755|7.125285|6.490446|3.711767|3.475186|3.087171|2.753998|2.710994|2.959258|3.378544|18.372677|17.529857|8.937371|10.969583|9.543338|4.624426|3.898362|5.157619|0.096677|4.879818|6.549056|3.059483|2.725980|2.408459|2.153337|2.140331|2.351235|2.681147|3.892723|1.930456|3.423203|0.082193|0.072339|0.081242|0.125521|0.199091|0.100115|0.088112|0.082645|0.069361|0.077240|0.097057|0.500000| |4.178026|3.516338|3.621192|4.634678|6.616914|5.913723|8.950163|5.809488|6.055950|3.378006|3.135416|2.706180|2.446050|2.483370|2.800440|3.203894|17.058452|17.506741|8.937070|10.995426|9.434717|4.688762|3.696099|4.980900|0.099227|4.539591|6.863901|2.886967|2.642237|2.419885|2.184935|2.139878|2.285779|2.547090|3.761754|1.903864|3.437589|0.102553|0.082039|0.085239|0.186505|0.140846|0.087605|0.083893|0.071294|0.061270|0.075436|0.097115|0.303972|0.500000| |2.801565|2.398638|2.342968|2.651786|3.230814|3.358344|3.517811|2.918135|3.457648|2.157052|1.967094|1.810580|1.659939|1.636423|1.747500|1.923771|11.748611|4.446051|6.366744|10.593308|12.350597|17.466626|8.862905|9.330008|0.207873|5.758942|7.001092|4.577586|3.737940|3.559549|2.919652|2.611742|2.675514|3.113759|4.090413|2.084153|3.974135|0.075938|0.059901|0.057980|0.109320|0.076912|0.059702|0.056304|0.050030|0.043366|0.047095|0.056024|0.111399|0.123086|0.500000| |2.852942|2.505962|2.512426|2.893598|3.471394|3.429531|3.889441|3.294598|3.856435|2.403351|2.140144|1.978050|1.782601|1.725209|1.827226|2.037542|12.225422|4.753721|7.645566|15.167640|12.548829|17.688131|8.940522|7.605971|0.144647|4.967362|5.714058|4.118312|3.238169|2.969844|2.471756|2.273123|2.383948|2.797783|3.719382|1.880898|3.506014|0.075257|0.062120|0.062398|0.106072|0.087549|0.068031|0.062256|0.055512|0.046636|0.048483|0.058705|0.120046|0.118828|0.302653|0.500000| |2.117730|1.903358|1.904506|2.132037|2.448586|2.434498|2.714382|2.422499|2.892326|1.879437|1.738921|1.648695|1.525668|1.484900|1.548248|1.676103|10.806178|3.266906|4.234177|7.298238|7.680902|8.816739|17.622328|12.357304|0.224605|5.626082|4.953460|7.118125|4.774533|4.325300|3.292413|2.893499|3.013843|3.696154|4.478285|2.242936|4.276887|0.057118|0.048398|0.048475|0.074363|0.066737|0.053231|0.048938|0.046256|0.040534|0.041499|0.047706|0.089338|0.086838|0.215732|0.210617|0.500000| |2.192162|1.995551|2.046133|2.348567|2.691975|2.565069|3.136173|2.839834|3.281816|2.126532|1.969647|1.879143|1.728570|1.666150|1.726350|1.875081|12.022684|3.885525|5.088538|8.388752|9.524443|8.821263|17.623933|12.409785|0.181690|7.029608|5.817339|7.036500|4.587507|3.782292|2.985696|2.778698|3.052592|3.867044|4.632771|2.254075|4.150411|0.057816|0.050200|0.052128|0.076873|0.080301|0.060899|0.054356|0.053007|0.045940|0.045820|0.052821|0.111520|0.098554|0.173289|0.214954|0.300034|0.500000| |2.119982|1.906303|1.933190|2.209739|2.566672|2.489727|2.986039|2.653412|3.058264|1.974520|1.919993|1.819336|1.730133|1.729314|1.814295|1.916184|12.769421|3.895454|4.152767|6.053864|7.686854|4.962904|5.626104|12.366119|0.225640|17.658416|8.805195|7.044524|7.014352|5.291300|4.345111|4.335795|5.133769|6.783157|7.420835|3.385424|6.197132|0.056476|0.048056|0.049097|0.076250|0.074812|0.054439|0.050352|0.049637|0.045705|0.049408|0.054496|0.117079|0.112935|0.129420|0.109145|0.126751|0.143751|0.500000| |2.194489|1.998219|2.067881|2.410589|2.785204|2.604465|3.380942|3.057780|3.424980|2.207934|2.121685|2.025267|1.898316|1.860386|1.932850|2.065739|13.528096|4.493136|5.009117|7.204000|9.548762|5.836622|7.049127|12.440131|0.182249|17.620769|8.829053|6.998461|5.470088|4.107654|3.358337|3.335238|3.947296|5.263270|6.014588|2.771837|4.942619|0.057436|0.049986|0.052601|0.078144|0.088534|0.061986|0.055514|0.055984|0.050246|0.051712|0.058036|0.142817|0.119158|0.133594|0.131032|0.143973|0.212086|0.299767|0.500000| |2.839941|2.498749|2.564723|3.075343|3.798226|3.557879|4.786185|3.924091|4.249401|2.599035|2.495022|2.285237|2.126974|2.136855|2.304105|2.505614|15.254337|7.590892|7.093280|8.767586|12.399335|5.682811|4.962707|7.631452|0.145199|9.029649|17.681273|4.121554|3.743258|3.242274|2.840745|2.807041|3.108504|3.628991|4.968251|2.419016|4.359275|0.073382|0.061114|0.063431|0.110665|0.107825|0.070315|0.064951|0.061439|0.054862|0.062308|0.072512|0.234810|0.235925|0.142503|0.127652|0.109020|0.130776|0.213516|0.217176|0.500000| |2.806781|2.404032|2.377810|2.746395|3.402615|3.451283|3.889340|3.166802|3.634296|2.246423|2.125420|1.946128|1.815204|1.827501|1.972400|2.140768|13.203355|5.475770|6.199339|8.403796|12.337643|6.981136|5.733717|9.290068|0.207104|8.854110|17.463386|4.553514|4.176704|3.825858|3.271436|3.070607|3.236713|3.736330|4.982212|2.486742|4.674670|0.075051|0.059540|0.058680|0.113149|0.084373|0.060793|0.057669|0.052629|0.047092|0.053859|0.062653|0.144090|0.175524|0.205058|0.142927|0.128886|0.133028|0.215828|0.173420|0.303184|0.500000| |1.762653|1.608694|1.618587|1.797079|2.021116|1.993839|2.245564|2.058330|2.471507|1.639404|1.558133|1.499945|1.415004|1.385202|1.429565|1.516461|10.270689|2.673814|3.134829|5.193946|5.455366|4.771132|7.428896|12.429604|0.220104|5.600392|4.167110|17.629272|8.875507|7.112988|4.705831|4.024468|4.275519|5.693122|5.926211|2.887483|5.582520|0.047689|0.041303|0.041718|0.060095|0.057852|0.046301|0.042633|0.041930|0.037945|0.038579|0.042791|0.076214|0.072865|0.125205|0.114364|0.231694|0.186462|0.143050|0.146175|0.097241|0.109874|0.500000| |1.787934|1.646188|1.682922|1.896036|2.124520|2.042618|2.431528|2.260144|2.662142|1.769880|1.699129|1.648567|1.559522|1.521049|1.559349|1.647531|11.270536|2.942769|3.353643|5.378456|5.855519|4.579910|6.851209|12.376115|0.182336|7.115804|4.648882|17.630837|8.809990|5.629938|4.165334|3.987223|4.756087|7.159031|6.717980|3.072797|5.607095|0.047712|0.042004|0.043464|0.060863|0.064921|0.050193|0.045436|0.046116|0.041917|0.041890|0.046081|0.087533|0.079004|0.112318|0.109615|0.169977|0.207839|0.179006|0.217724|0.112426|0.113626|0.301890|0.500000| |1.667129|1.508873|1.492370|1.630000|1.835645|1.860149|1.983747|1.801571|2.201368|1.461220|1.402699|1.341689|1.279344|1.271801|1.322731|1.391041|9.538142|2.332881|2.623838|4.325830|4.406136|3.661599|4.503475|7.978923|0.193816|4.400450|3.600100|7.085256|8.918781|17.689155|8.932821|5.724904|5.003105|5.605113|6.597305|3.445409|7.439532|0.045904|0.039080|0.038450|0.056734|0.049885|0.040642|0.038387|0.037080|0.034221|0.036177|0.039611|0.065231|0.066372|0.107406|0.087608|0.134661|0.107626|0.128669|0.105753|0.086142|0.105176|0.212062|0.142923|0.500000| |1.467395|1.339125|1.321547|1.427145|1.586005|1.611964|1.693624|1.556761|1.926704|1.293337|1.261257|1.211571|1.171341|1.176302|1.221297|1.266267|8.959997|1.949372|2.087540|3.437324|3.336792|2.591290|2.927218|4.916349|0.112311|3.226046|2.783077|4.087510|5.590890|8.796615|17.757335|8.931513|5.627602|4.877081|7.767887|4.645810|12.213395|0.040641|0.034988|0.034293|0.048718|0.043176|0.035717|0.034132|0.033264|0.031432|0.033734|0.036034|0.054823|0.056398|0.075684|0.063840|0.083256|0.073930|0.100382|0.080065|0.070770|0.082386|0.111343|0.096005|0.213824|0.500000| 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