Version2.4 2021-06-08T10:45:05Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 18-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1cc(ccc1O)[C@@H]2C(=C(C(=O)N2CCCOC)[O-])C(=O)c3ccc(c(c3)C)OCC(C)C C09379787 RHF 6-31G(d) (6D,7F) CCOc1cc(ccc1O)[C@@H]2C(=C(C(=O)N2CCCOC)[O-])C(=O)c3ccc(c(c3)C)OCC(C)C C01[X(C28H34N1O7)] 204 C1 608 COCCCN1[C@H](c2ccc(c(c2)OCC)O)C(=C(C1=O)[O-])C(=O)c1ccc(c(c1)C)OCC(C)C COCCCN1[C@H](c2ccc(c(c2)OCC)O)C(=C(C1=O)[O-])C(=O)c1ccc(c(c1)C)OCC(C)C CCOc1cc(ccc1O)[C@H]2N(CCCOC)C(=O)C(=C2C(=O)c3ccc(OCC(C)C)c(C)c3)[O-] InChIKey=RISDROIYTQOBTK-RUZDIDTESA-M InChI=1S/C28H35NO7/c1-6-35-23-15-19(8-10-21(23)30)25-24(27(32)28(33)29(25)12-7-13-34-5)26(31)20-9-11-22(18(4)14-20)36-16-17(2)3/h8-11,14-15,17,25,30,32H,6-7,12-13,16H2,1-5H3/p-1/t25-/m1/s1 InChI=1/C28H35NO7/c1-6-35-23-15-19(8-10-21(23)30)25-24(27(32)28(33)29(25)12-7-13-34-5)26(31)20-9-11-22(18(4)14-20)36-16-17(2)3/h8-11,14-15,17,25,30,32H,6-7,12-13,16H2,1-5H3/p-1/t25-/m1/s1/fC28H34NO7/h32h/q-1 CCOc1cc(ccc1O)[C@@H]2C(=C(C(=O)N2CCCOC)[O-])C(=O)c3ccc(c(c3)C)OCC(C)C C01[X(C28H34N1O7)] 204 C01 608 COCCCN1[C@H](c2ccc(c(c2)OCC)O)C(=C(C1=O)[O-])C(=O)c1ccc(c(c1)C)OCC(C)C COCCCN1[C@H]([C]2[CH][CH][C]([C]([CH]2)OCC)O)[C]([C](=O)C1=O)[C](=O)[C]1[CH][CH][C]([C]([CH]1)C)OCC(C)C CCO[C]1[CH][C]([CH][CH][C]1O)[C@@H]2[C](C(=O)[C]3[CH][CH][C](OCC(C)C)[C](C)[CH]3)C(=O)C(=O)N2CCCOC InChIKey=VDRYXTWVSVCVRO-RUZDIDTESA-N InChI=1S/C28H34NO7/c1-6-35-23-15-19(8-10-21(23)30)25-24(27(32)28(33)29(25)12-7-13-34-5)26(31)20-9-11-22(18(4)14-20)36-16-17(2)3/h8-11,14-15,17,25,30H,6-7,12-13,16H2,1-5H3/t25-/m1/s1 InChI=1/C28H34NO7/c1-6-35-23-15-19(8-10-21(23)30)25-24(27(32)28(33)29(25)12-7-13-34-5)26(31)20-9-11-22(18(4)14-20)36-16-17(2)3/h8-11,14-15,17,25,30H,6-7,12-13,16H2,1-5H3/t25-/m1/s1 3968.7692730542 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834.9759 844.2191 850.7765 860.8853 868.1425 895.3308 898.7660 907.8811 913.6090 935.7933 939.2103 952.5433 976.5819 982.1963 999.4725 1014.1931 1019.0315 1036.5265 1047.5328 1047.9668 1053.9008 1060.5336 1078.7948 1081.8314 1095.6329 1109.2141 1128.0864 1157.1401 1161.5386 1166.8081 1173.3651 1185.7471 1213.4938 1225.0129 1238.5443 1246.8999 1253.2549 1262.1995 1267.9749 1276.5719 1291.4129 1294.0302 1299.2014 1300.8155 1306.9259 1308.7352 1322.1613 1335.3081 1336.5778 1349.7322 1360.1689 1377.9175 1389.3087 1400.5052 1403.9166 1411.9598 1422.6137 1426.3756 1430.8761 1435.5508 1442.2221 1463.2624 1478.3454 1491.3665 1500.0926 1509.6345 1530.0749 1545.4415 1556.1262 1556.4299 1559.3060 1569.2301 1572.4728 1584.6502 1587.3102 1587.4669 1604.8648 1609.7789 1629.2471 1629.6516 1634.9905 1635.3251 1637.8403 1638.6092 1638.8464 1645.0860 1646.0695 1647.6662 1648.7854 1658.8011 1659.1228 1670.3810 1682.2796 1684.3373 1685.3751 1697.8005 1777.2319 1805.0007 1810.3202 1815.9871 1818.6469 1941.6174 1960.7032 3147.0733 3167.0881 3171.7213 3179.3732 3179.5368 3189.6189 3197.1864 3201.3380 3203.3921 3205.5603 3206.3778 3213.1248 3221.6116 3223.0891 3226.1267 3243.1875 3249.0109 3256.3194 3257.3116 3261.3660 3267.2804 3274.5310 3280.3372 3286.4839 3286.6492 3289.7027 3297.3313 3372.4256 3373.9407 3384.8646 3388.6120 3394.1008 3394.5830 4092.8264 4.3558 4.7647 4.3380 4.2664 3.9324 4.6848 3.9296 4.2865 2.3918 2.8555 6.0562 5.1642 2.1234 4.3839 4.0611 3.8365 3.6009 4.8893 3.2875 2.1742 1.4194 2.5223 2.7500 4.9879 4.4790 4.2621 3.5148 1.1218 4.6060 1.3249 1.6897 1.7139 1.8451 3.1665 2.1440 7.1574 4.6990 3.7701 5.2470 4.8154 6.5170 4.3019 4.0357 2.8784 3.0010 1.3762 3.8207 4.6604 2.2012 3.0333 3.0724 4.0689 5.0415 4.4878 5.2126 7.9343 4.8844 5.4564 4.8813 5.9071 6.4004 5.0057 5.3826 4.1159 4.5339 4.2114 1.4181 2.9833 5.0546 4.6321 3.8685 5.2573 2.6683 1.4111 2.7682 4.7761 1.7315 1.4862 1.4294 4.4754 2.3120 1.6545 1.2203 1.3455 1.5557 2.8962 1.4005 1.7867 4.3580 1.3428 1.3382 1.7968 3.0016 2.5197 3.0909 2.9475 3.6922 1.5102 4.2960 2.4803 2.7347 2.5302 1.7862 2.5347 1.9779 2.5137 2.8790 3.7622 1.3190 1.5336 1.7827 1.8924 2.3006 2.2233 1.9273 1.8202 3.1189 2.0108 2.4284 2.4353 2.2993 1.7701 1.5304 1.9939 1.3937 1.3706 1.1990 1.0751 1.3250 1.6768 1.5903 1.4576 1.3284 2.9719 1.2378 1.3812 1.3795 1.7914 1.3132 1.8146 1.3804 1.4141 1.4145 3.9960 2.5477 1.0448 1.0450 1.1733 1.0749 1.0799 1.1704 1.1038 1.0490 1.0570 1.1187 1.0537 1.0603 1.0637 1.4446 1.1452 1.0993 1.5786 2.8227 7.0687 10.8610 6.1672 6.0857 6.0999 12.7777 11.9816 1.0537 1.0448 1.0828 1.0585 1.1009 1.0403 1.0452 1.0380 1.0806 1.1041 1.0453 1.0528 1.0634 1.0680 1.1047 1.1013 1.1013 1.1012 1.1040 1.1022 1.0981 1.1020 1.1024 1.0977 1.1056 1.1038 1.0982 1.0889 1.0897 1.0916 1.0906 1.0939 1.0951 1.0654 0.0003 0.0006 0.0009 0.0014 0.0015 0.0033 0.0035 0.0053 0.0038 0.0051 0.0134 0.0147 0.0097 0.0212 0.0226 0.0228 0.0280 0.0495 0.0377 0.0255 0.0189 0.0400 0.0490 0.1008 0.0962 0.1075 0.0976 0.0369 0.1591 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6.1745 6.4177 6.3043 6.5570 6.2356 6.2951 6.2679 6.5333 6.6845 6.3317 6.4037 6.5030 6.5368 6.7739 6.8247 6.8493 6.8795 6.9016 6.9074 6.9065 6.9618 6.9890 6.9857 7.0365 7.0381 7.0347 7.2969 7.3086 7.3686 7.3782 7.4250 7.4346 10.5153 0.5222 0.8529 0.4255 0.2523 0.1595 0.1520 1.2012 0.5579 2.1581 2.0645 3.7630 1.9761 0.3386 0.6524 0.6590 1.1829 1.9833 0.5960 1.5756 1.2274 0.5250 0.1658 3.5886 3.2361 1.3421 1.9315 1.8265 0.2193 0.8263 5.5612 0.7637 0.7189 0.0797 0.4454 0.2961 3.2047 1.9918 3.0805 2.8056 2.8902 4.8618 3.7280 4.6602 2.8070 17.3421 88.9748 0.4816 17.9583 0.3075 2.8247 2.7918 9.0711 6.3733 0.8195 7.2768 38.0840 9.1743 3.8239 31.1164 1.4220 16.8875 8.2223 17.0790 4.3968 7.4927 4.4397 4.7419 47.6658 38.6760 33.4623 7.9600 13.7519 17.3342 10.7825 6.9995 27.9270 16.0644 18.1010 2.0538 3.7181 0.7795 24.3167 1.8008 4.2155 6.5332 11.6238 2.0281 2.3803 21.0771 0.6759 2.0597 26.0898 23.2809 10.1872 6.7191 40.8899 20.5858 1.7369 16.3249 23.6467 66.4144 5.8271 37.6707 6.7859 13.3409 125.5800 56.7257 202.2614 13.3732 4.3625 7.9635 25.9008 13.4387 69.3209 62.1397 49.8164 149.4046 44.0796 165.9314 134.9484 266.3941 19.4335 88.4470 193.6179 11.5468 29.7916 38.6817 0.3202 13.2966 91.0469 96.9811 19.4759 1.6541 727.5082 2.5050 4.9683 2.9520 112.3642 0.0224 33.0426 49.2005 63.3913 37.8528 580.5528 4.6546 0.9332 5.7075 8.7180 3.1495 3.5100 14.7406 6.7915 2.6379 2.7089 3.2453 4.0214 7.5329 15.5300 59.3357 20.7462 0.9691 26.1182 169.3915 24.9502 307.4773 31.3643 181.4280 19.7098 720.7969 641.6650 28.7213 96.9419 55.2248 18.7782 41.9190 28.8091 42.6084 47.1816 22.9129 107.5924 28.4374 25.5583 17.7135 57.4301 35.4338 20.8382 36.4029 129.4546 3.4715 74.7281 13.5062 43.3891 34.7004 72.4999 57.0682 47.7081 31.9590 16.1413 15.1123 7.9887 12.9781 17.7238 8.9161 105.5676 0.8051 0.8783 0.2781 0.5238 0.9824 1.0789 1.4623 2.7981 0.7871 0.8247 2.0062 2.2955 0.5865 0.3300 0.1632 0.4120 0.4419 0.3080 0.9229 0.3250 0.6045 0.2800 0.6352 2.2301 1.9678 0.3815 2.8219 0.1248 2.4275 0.0603 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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 15301.5985 28664.9966 30104.1108 0.99994 0.00961 0.00480 -0.00900 0.99348 -0.11361 -0.00587 0.11356 0.99351 1 0.00566 0.00302 0.00288 0.11794 0.06296 0.05995 14.86 20.42 27.09 33.59 36.90 50.08 55.55 65.89 74.85 79.17 88.16 99.91 126.85 130.35 139.93 144.61 165.28 188.68 200.83 202.95 216.05 236.16 250.27 266.47 274.71 297.74 312.42 340.17 348.40 354.54 366.05 380.98 402.65 407.92 418.69 425.34 474.54 486.23 500.54 516.55 538.35 551.00 566.44 570.29 588.99 610.15 657.38 667.54 677.36 711.80 743.10 755.13 771.66 799.71 805.02 854.96 868.75 901.25 927.40 947.04 968.43 987.53 1037.34 1106.24 1150.00 1154.14 1166.85 1201.34 1214.64 1224.08 1238.62 1249.06 1288.18 1293.12 1306.24 1314.48 1346.40 1351.31 1370.50 1405.08 1413.16 1438.02 1459.20 1466.16 1491.33 1507.17 1507.79 1516.33 1525.87 1552.15 1556.51 1576.37 1595.91 1623.06 1664.87 1671.19 1678.78 1688.21 1706.03 1745.95 1762.52 1781.99 1794.01 1803.15 1816.02 1824.33 1836.70 1858.06 1861.82 1869.26 1871.58 1880.37 1882.98 1902.30 1921.21 1923.04 1941.96 1956.98 1982.52 1998.91 2015.01 2019.92 2031.50 2046.82 2052.24 2058.71 2065.44 2075.04 2105.31 2127.01 2145.74 2158.30 2172.03 2201.44 2223.55 2238.92 2239.36 2243.49 2257.77 2262.44 2279.96 2283.79 2284.01 2309.04 2316.11 2344.12 2344.71 2352.39 2352.87 2356.49 2357.59 2357.93 2366.91 2368.33 2370.62 2372.23 2386.64 2387.11 2403.31 2420.43 2423.39 2424.88 2442.76 2557.04 2596.99 2604.65 2612.80 2616.63 2793.55 2821.01 4527.94 4556.73 4563.40 4574.41 4574.64 4589.15 4600.04 4606.01 4608.97 4612.09 4613.26 4622.97 4635.18 4637.31 4641.68 4666.22 4674.60 4685.12 4686.54 4692.38 4700.89 4711.32 4719.67 4728.52 4728.76 4733.15 4744.12 4852.17 4854.35 4870.07 4875.46 4883.35 4884.05 5888.66 0.622523 0.658060 0.659004 0.548855 -1657.984346 -1657.948809 -1657.947865 -1658.058014 3.694416D-04 MUNgauss RevisionA2.1 retrievium 08-Jun-2021 DUDE CCOc1cc(ccc1O)[C@@H]2C(=C(C(=O)N2CCCOC)[O-])C(=O)c3ccc(c(c3)C)OCC(C)C C09379787 RHF 6-31G(d) (6D,10F) C1 496.233528 |X|Y|Z| 62.794214 69.225302 110.778217 78.381389 18 6 7 17 1 |36.858105| |12.565969|36.858105| |8.069906|13.550662|73.516695| |5.220969|7.960997|24.744588|36.858105| |4.360544|6.602266|13.869569|13.754031|36.858105| |3.323071|4.473071|9.162400|7.892252|13.718024|36.858105| |2.989718|3.797790|8.208271|6.901343|7.988547|13.717017|36.858105| |3.224136|4.005217|9.405756|7.968473|6.903840|7.897264|13.771590|36.858105| |4.130425|5.299218|14.575301|13.738212|7.932961|6.816205|7.942322|13.779644|36.858105| |4.122830|4.750204|12.746100|7.991526|5.226388|4.588062|5.238175|8.029055|14.035350|73.516695| |2.815791|3.628385|6.803828|4.990567|7.512364|12.436873|7.482751|4.984101|4.403079|5.958459|36.858105| |2.986874|3.904398|6.940161|4.842031|7.468690|9.001692|5.609828|4.207416|4.011948|5.569596|17.511269|0.500000| |2.462051|3.046352|5.622140|3.939217|5.195181|7.391333|6.044720|4.271192|3.687671|5.223306|12.521263|0.241349|36.858105| |2.110853|2.531478|4.714930|3.217197|3.975785|5.390540|5.034734|3.707239|3.137983|4.596333|7.906910|0.167260|13.474239|36.858105| |2.109222|2.532590|4.774462|3.261308|4.045672|5.484917|5.081323|3.740984|3.172922|4.638603|8.076535|0.172750|8.089652|12.361912|36.858105| |1.893520|2.225088|4.191420|2.788446|3.310997|4.199933|4.081074|3.208787|2.755892|4.149940|5.430192|0.128070|5.410082|7.719301|15.851097|73.516695| |2.440987|3.022133|5.746397|4.048605|5.379886|7.741380|6.259542|4.394071|3.786515|5.335444|13.067813|0.255126|8.188334|8.162118|14.068869|14.937405|53.358707| |2.443428|2.992231|5.723609|3.909915|4.948801|6.118434|5.178943|4.030726|3.631224|5.236957|7.461090|0.189380|5.113298|5.114533|7.792223|12.020900|18.020075|36.858105| |2.346392|2.825906|5.155635|3.324810|4.132094|4.570904|3.797223|3.148016|2.991557|4.467455|5.683667|0.170734|4.249230|4.210378|5.755443|9.589029|10.440790|12.436838|36.858105| |2.238350|2.620293|4.796079|2.980927|3.476911|3.635043|3.184427|2.795576|2.719575|4.193260|4.046197|0.119179|3.206424|3.196193|4.112120|7.306404|6.794967|7.545597|12.547963|36.858105| |2.106298|2.416860|4.293320|2.588555|2.977553|3.027199|2.651494|2.368926|2.343821|3.682035|3.387917|0.102910|2.807986|2.786146|3.399140|6.063777|5.330391|5.086270|7.997066|13.601057|73.516695| |1.962211|2.195780|3.911288|2.309209|2.563417|2.566536|2.312360|2.123550|2.120640|3.406616|2.762571|0.082199|2.348390|2.338697|2.783011|5.035897|4.248702|3.919113|5.208305|8.146045|24.414016|36.858105| |1.882491|2.206228|4.088007|2.718045|3.211667|4.089171|4.023715|3.159813|2.699992|4.076950|5.282090|0.122432|7.884575|15.761532|7.970168|11.723207|7.493601|3.983743|3.444294|2.744237|4.356205|2.099594|73.516695| |2.503325|3.063351|5.519392|3.754588|4.708067|5.862252|5.039570|3.910035|3.506121|5.085467|7.284292|0.176386|13.326998|7.558337|5.080980|6.943744|6.980405|3.760543|3.318280|2.646834|4.256644|2.049257|10.970766|36.858105| |2.234850|2.647189|4.786671|3.168779|3.723328|4.456592|4.203933|3.443707|3.071868|4.614466|5.108297|0.126093|8.077256|6.405594|4.302452|6.225239|5.556071|3.136068|2.799065|2.300869|3.741824|1.831682|11.005557|15.693876|73.516695| |2.927265|3.657228|6.261393|4.131224|5.218437|5.607066|4.509668|3.743868|3.622669|5.281589|6.224733|0.176417|7.506334|4.936494|3.939402|5.630552|5.846224|3.413602|3.141516|2.560822|4.195452|2.030967|7.434518|12.504839|14.600599|36.858105| |3.023965|3.790862|6.142249|3.879978|4.993935|4.966875|3.839749|3.254018|3.262979|4.830441|5.819345|0.193082|6.079647|4.323479|3.713130|5.405449|5.662711|3.447955|3.364879|2.729133|4.575469|2.190632|6.519302|7.473778|9.821301|13.813416|36.858105| |3.344368|4.098338|6.212301|3.672369|4.421153|4.032666|3.239437|2.903002|3.039290|4.642790|4.300522|0.140771|4.245591|3.290335|2.958540|4.474442|4.506713|2.918560|2.916314|2.471537|4.233820|2.068258|5.142952|4.974746|7.341264|7.886175|13.669532|36.858105| |3.624572|4.298685|6.438620|3.688498|4.135071|3.690291|3.105156|2.896205|3.097472|4.841498|3.656546|0.112260|3.662739|2.901088|2.599856|3.982797|3.911718|2.561739|2.500095|2.174264|3.702635|1.845803|4.628395|4.415468|6.895938|6.818635|7.936815|13.792823|36.858105| |3.467029|4.109312|6.579616|3.901185|4.250652|3.921020|3.424014|3.224771|3.401236|5.302076|3.736322|0.108175|3.901655|3.056972|2.665392|4.058322|3.956646|2.539067|2.395612|2.079629|3.481346|1.742304|4.911592|5.001490|8.065424|7.827358|6.846597|7.890018|13.597839|36.858105| |3.109236|3.793410|6.473952|4.133453|4.737710|4.745700|4.135309|3.704491|3.701531|5.555383|4.607918|0.127486|5.180201|3.830615|3.177545|4.714692|4.671175|2.865178|2.629741|2.228416|3.669756|1.815934|6.065586|7.565831|11.777243|13.651612|8.017126|6.919998|7.982248|13.803937|36.858105| |3.391090|3.737999|6.090210|3.463066|3.499610|3.220842|2.976209|2.945606|3.154167|5.173115|2.981538|0.084348|3.091273|2.547676|2.259668|3.517631|3.308390|2.173284|2.045924|1.820003|3.056233|1.555805|4.192889|3.782275|6.486571|4.985305|4.438399|5.019860|7.551060|12.618364|7.547658|36.858105| |3.737823|4.099298|5.952226|3.229436|3.436141|3.024843|2.623040|2.522881|2.747407|4.452260|2.951583|0.089899|2.909964|2.405974|2.208229|3.457058|3.300102|2.227005|2.202683|1.967958|3.396731|1.721723|3.902818|3.357934|5.439962|4.585969|5.183823|7.866121|13.984982|8.146152|5.292208|6.930449|73.516695| |3.471763|3.694686|5.312064|2.845227|3.047633|2.693741|2.329902|2.232408|2.422150|3.954956|2.691400|0.083509|2.614703|2.210974|2.069353|3.279254|3.089419|2.126296|2.160464|1.953591|3.439076|1.751511|3.600485|2.909918|4.714714|3.775299|4.506038|6.717801|7.969019|5.239612|3.991002|4.603880|24.229598|36.858105| |3.256782|3.229112|4.719292|2.472852|2.554895|2.272870|2.021993|1.977875|2.155638|3.617545|2.237060|0.067898|2.178841|1.887539|1.782085|2.865177|2.634227|1.838293|1.863561|1.720051|3.041065|1.575938|3.114485|2.395579|3.974324|2.959732|3.330369|4.393693|5.190947|4.060689|3.190506|4.006345|14.261334|12.494675|36.858105| |3.931084|3.634476|5.199655|2.622099|2.614413|2.275713|2.045552|2.046338|2.281631|3.903536|2.173302|0.065291|2.081057|1.805800|1.723281|2.776333|2.568789|1.812805|1.818622|1.698559|2.979778|1.557247|2.967693|2.259062|3.738702|2.754243|3.003292|3.797089|4.549743|3.816192|3.019428|3.968837|11.672306|7.539959|12.451073|36.858105| |2.801421|2.759173|4.102420|2.159425|2.244368|2.021463|1.803897|1.756967|1.897748|3.195415|2.021595|0.061603|1.961963|1.730587|1.653877|2.688643|2.431581|1.718736|1.773064|1.656133|2.976145|1.554841|2.871364|2.113934|3.517939|2.530697|2.878145|3.637621|3.903202|3.150528|2.628243|3.049706|9.103489|7.610751|12.441258|7.538719|36.858105| |17.566161|8.854744|12.879257|4.928609|3.999353|3.149157|2.924207|3.229277|4.153194|7.732124|2.649675|0.076466|2.372382|2.041401|2.014268|3.220242|3.127000|2.267764|2.149011|2.041262|3.403511|1.788259|3.265135|2.450388|3.948072|2.851749|2.861603|3.143002|3.526911|3.519297|3.129096|3.621055|6.519787|3.297523|3.165014|3.880774|2.677633|0.500000| |17.561865|8.852940|12.959147|4.805540|3.979335|3.098542|2.835175|3.090519|3.948171|7.229593|2.634333|0.077118|2.285708|1.994255|2.026256|3.269235|3.192109|2.401445|2.313353|2.257415|3.775425|2.006182|3.169974|2.280039|3.635922|2.592178|2.674251|2.887911|3.039373|2.922750|2.698160|2.854726|5.517671|2.958888|2.813594|3.328120|2.505681|0.300701|0.500000| |17.548089|8.865995|10.239177|4.233403|3.810886|2.992899|2.665551|2.795339|3.419267|5.971770|2.635467|0.078909|2.336107|2.009284|1.998044|3.200804|3.118564|2.287960|2.245406|2.144026|3.653227|1.918276|3.205116|2.396912|3.821307|2.837236|3.009835|3.452349|3.762952|3.446477|3.004971|3.373264|7.257580|3.941776|3.784484|4.790710|3.246460|0.300596|0.300378|0.500000| |8.828008|17.570458|16.547946|7.325517|6.763271|4.674355|3.889766|3.980277|5.034880|7.792548|3.852420|0.115917|3.320911|2.688973|2.613737|4.032395|4.203886|2.947292|2.779681|2.512296|4.140116|2.093371|4.163479|3.467369|5.283839|4.378787|4.530683|5.080311|5.616319|5.346757|4.708742|4.689715|9.230919|4.388887|3.679247|4.077842|3.020389|0.211931|0.173143|0.211549|0.500000| |8.866808|17.545154|16.536137|6.874107|6.618636|4.491105|3.669705|3.709085|4.650764|7.238601|3.794074|0.117953|3.088609|2.578757|2.633666|4.120488|4.352749|3.249060|3.158577|2.945935|4.862626|2.466481|3.964848|3.025203|4.592953|3.579038|3.883361|4.185113|4.110106|3.750200|3.528135|3.302935|6.920726|3.690598|3.171589|3.468010|2.792407|0.173514|0.212026|0.213365|0.301407|0.500000| |4.617196|7.271413|12.493456|8.926914|17.741421|8.947822|5.673865|4.969917|5.647085|7.502657|7.017705|0.232459|4.912451|3.755564|3.821387|5.611150|6.869178|4.753304|4.318943|3.610568|5.651426|2.703809|5.434559|4.543443|6.342331|5.387835|5.756785|5.263975|4.662906|4.446400|4.731013|3.543661|6.836218|3.479264|2.834946|2.869994|2.493657|0.112675|0.115029|0.116228|0.212654|0.228579|0.500000| |2.561439|3.138945|6.513504|4.968275|5.670616|8.935334|17.734547|8.941955|5.655214|7.525760|6.963862|0.140636|6.422646|5.916024|5.895654|8.378717|8.917808|5.124175|3.701360|3.082795|4.565455|2.241110|8.433512|5.114915|7.883039|4.203430|3.545434|2.953242|2.811990|3.103567|3.795806|2.720402|4.243293|2.137599|1.866433|1.868821|1.679677|0.069972|0.067903|0.064571|0.089756|0.085177|0.124620|0.500000| |2.838346|3.356260|7.625142|5.673867|4.968469|5.617884|8.874915|17.721615|8.992268|13.099487|4.060933|0.096365|3.691018|3.366055|3.384184|5.327570|5.136400|3.506568|2.782648|2.521242|3.830094|1.958786|5.281816|3.431700|5.602184|3.222298|2.805053|2.529201|2.547133|2.847731|3.239976|2.677723|4.010840|2.007944|1.806180|1.870771|1.614130|0.080263|0.076515|0.069031|0.092433|0.086442|0.107820|0.214130|0.500000| |5.009557|5.580314|15.926190|8.026465|5.078946|4.197996|4.453166|6.059177|10.133475|35.697968|3.150909|0.084165|2.751570|2.407364|2.428840|3.873976|3.815027|2.780880|2.434695|2.306286|3.645788|1.906938|3.804405|2.708269|4.357896|2.891041|2.700845|2.660632|2.804294|3.023212|3.067071|2.980941|4.668182|2.339373|2.155454|2.367986|1.896761|0.149790|0.138741|0.108594|0.136664|0.127393|0.118907|0.101242|0.151089|0.500000| |2.742070|3.420768|6.752961|4.724243|5.969631|7.027976|5.865568|4.687533|4.320629|6.086692|7.046718|0.181653|4.662714|4.375724|5.841985|9.008179|12.584422|17.550593|8.819099|6.887845|8.383520|3.799268|6.185020|3.596578|5.329088|3.390018|3.405595|2.950804|2.633926|2.618614|2.919276|2.257156|4.094354|2.186811|1.896911|1.897848|1.762139|0.070122|0.075516|0.070112|0.091328|0.103851|0.153474|0.149179|0.109878|0.089656|0.500000| |2.194803|2.618555|5.059539|3.399078|4.042328|4.941244|4.655237|3.750599|3.305505|4.900869|5.639895|0.139514|4.395250|4.743359|7.468872|13.645800|12.702010|17.600378|8.855097|6.920764|8.364526|3.803680|6.893338|3.322647|5.109460|2.962512|2.936683|2.523553|2.258177|2.263144|2.546012|1.974895|3.534770|1.900551|1.666797|1.648181|1.566067|0.057219|0.060438|0.057090|0.071377|0.077685|0.105844|0.135167|0.094331|0.071652|0.302264|0.500000| |2.105785|2.493542|4.509778|2.882447|3.520781|3.964632|3.394703|2.815954|2.642454|4.000855|5.121772|0.150622|4.193188|4.400087|6.119048|10.882967|9.529401|8.864283|17.571479|8.915823|12.838059|4.841959|6.541190|3.272495|4.986963|3.024558|3.235685|2.779349|2.373849|2.278360|2.514422|1.948608|3.719445|2.059914|1.780906|1.719178|1.704950|0.054129|0.057375|0.056487|0.069153|0.076200|0.101763|0.094957|0.070407|0.060442|0.173600|0.212777|0.500000| |2.570754|3.149084|5.572977|3.553512|4.564225|4.797334|3.768154|3.140784|3.071077|4.559197|6.059227|0.206916|4.399081|4.082295|5.097555|8.031069|9.405235|8.804016|17.541939|8.939838|13.077708|4.870877|5.904911|3.517885|5.171529|3.470689|3.887026|3.378256|2.816980|2.635370|2.862509|2.213050|4.382968|2.438326|2.069286|2.007243|1.967334|0.064553|0.069711|0.068941|0.086604|0.100240|0.141171|0.098951|0.075928|0.069944|0.210876|0.173386|0.302495|0.500000| |2.453375|2.882182|5.337017|3.286288|3.761735|3.783414|3.316536|2.983090|2.968670|4.585763|3.953937|0.116362|3.071960|2.979283|3.717051|6.429364|6.311650|6.918148|8.825550|17.456157|16.566565|7.303404|4.541298|2.576501|3.975430|2.538527|2.693188|2.478010|2.207682|2.113737|2.243990|1.861652|3.575738|1.991772|1.761284|1.761826|1.688925|0.061557|0.069674|0.064634|0.075041|0.091139|0.108100|0.086858|0.074171|0.070501|0.207699|0.172413|0.173669|0.211315|0.500000| |2.034921|2.347891|4.361379|2.717971|3.094045|3.310565|3.028048|2.678408|2.557851|3.991673|3.638829|0.102637|2.990147|3.085884|4.039919|7.595366|6.302904|6.846039|8.841719|17.473948|16.553073|7.354556|4.799540|2.470086|3.881942|2.344324|2.446072|2.211748|1.973691|1.913459|2.060473|1.693347|3.187529|1.770758|1.574390|1.557746|1.516371|0.052186|0.057199|0.053967|0.062677|0.071806|0.086766|0.083403|0.068423|0.060437|0.169006|0.206156|0.213924|0.174069|0.301403|0.500000| |1.863671|2.061894|3.618602|2.112233|2.335416|2.322510|2.091479|1.928841|1.935494|3.131490|2.511536|0.075354|2.178655|2.165023|2.516971|4.542098|3.775591|3.328772|4.344640|5.858798|16.904976|17.597828|3.492901|1.930454|3.087174|1.928105|2.098414|2.003288|1.785836|1.672628|1.729534|1.497128|2.985026|1.727012|1.560634|1.533521|1.556670|0.047221|0.052769|0.051176|0.054941|0.064241|0.069059|0.056387|0.049582|0.048934|0.089248|0.089155|0.116973|0.118060|0.147817|0.148256|0.500000| |2.088041|2.323460|4.150355|2.417606|2.640781|2.586576|2.336057|2.180470|2.210935|3.576626|2.700460|0.080285|2.271411|2.228506|2.622188|4.673439|4.070150|3.763237|4.721590|7.219751|16.468253|17.479960|3.545582|1.998560|3.172358|2.002709|2.153771|2.056640|1.853128|1.749571|1.810111|1.571281|3.093180|1.769309|1.600159|1.598194|1.576064|0.052498|0.060059|0.056487|0.060582|0.073046|0.077330|0.062074|0.055770|0.055980|0.106281|0.100542|0.116224|0.126191|0.217346|0.177556|0.299743|0.500000| |1.811733|2.015980|3.639442|2.163383|2.378306|2.422999|2.230760|2.053650|2.025150|3.272031|2.599826|0.075540|2.243726|2.278577|2.736570|5.083640|4.078746|3.759349|4.740889|7.219856|16.472480|17.487310|3.674740|1.952459|3.131604|1.907513|2.026107|1.900888|1.711296|1.633641|1.712835|1.468180|2.836050|1.611582|1.458112|1.442677|1.435036|0.046324|0.051493|0.048960|0.053542|0.061927|0.068375|0.060854|0.053217|0.050517|0.099905|0.106272|0.126901|0.117138|0.175648|0.219077|0.299792|0.299792|0.500000| |2.758795|3.419943|5.621412|3.562452|4.653640|4.819342|3.695899|3.071026|3.028249|4.490977|6.309938|0.226953|6.473550|4.734555|4.148522|5.998807|6.322591|3.813019|3.860274|3.029985|5.120125|2.399074|7.015626|6.905325|9.096904|8.954733|17.723801|8.926996|5.656744|4.939086|5.675544|3.549734|7.445089|3.911752|2.979773|2.688046|2.678700|0.071711|0.069298|0.076369|0.108285|0.100531|0.150317|0.096812|0.073997|0.069423|0.101189|0.088947|0.105066|0.126789|0.081256|0.074663|0.063934|0.064608|0.061324|0.500000| |3.223540|3.843218|5.723311|3.295228|3.911328|3.544812|2.873580|2.597678|2.732925|4.238099|3.835708|0.128379|3.687005|2.980051|2.762510|4.253125|4.205351|2.807473|2.908902|2.497858|4.379769|2.141865|4.698072|4.070873|6.152404|5.641423|8.929345|17.747638|8.891308|5.612874|4.979203|4.084824|12.522309|7.467394|4.688848|3.901894|4.069997|0.082545|0.078404|0.094868|0.126538|0.113389|0.131902|0.073303|0.063421|0.067952|0.078485|0.067522|0.077280|0.095055|0.069365|0.061579|0.058272|0.059076|0.054167|0.216963|0.500000| |2.870834|3.418267|6.091977|3.936206|4.309038|4.496993|4.229921|3.863174|3.742606|5.692180|4.231691|0.111310|4.915919|3.785229|3.095506|4.632549|4.441695|2.719799|2.449011|2.094926|3.426546|1.709346|6.144994|7.132520|12.641479|8.968927|5.699336|4.977669|5.662860|8.963521|17.727379|6.996137|7.591945|3.331082|2.795694|2.698866|2.335625|0.081936|0.070156|0.076001|0.113775|0.087156|0.113530|0.110322|0.096136|0.085668|0.076997|0.068416|0.065333|0.072437|0.058624|0.054533|0.045101|0.047352|0.045195|0.124933|0.107997|0.500000| |3.004188|3.207629|5.183965|2.914118|2.965753|2.765993|2.565460|2.525882|2.675783|4.449714|2.633805|0.075090|2.755418|2.322596|2.065053|3.250964|2.985595|1.975759|1.886752|1.689505|2.868340|1.467346|3.880194|3.340449|5.859239|4.267521|3.975588|4.608591|6.739275|8.832366|5.866392|17.548280|12.467622|4.781348|4.336121|4.128697|3.254755|0.088366|0.071336|0.085088|0.108067|0.080703|0.084543|0.066232|0.064651|0.071310|0.056487|0.050187|0.050359|0.056621|0.047755|0.043773|0.039489|0.041050|0.038494|0.090590|0.108380|0.151936|0.500000| |3.085547|3.396624|5.814787|3.391047|3.375458|3.205522|3.071221|3.073797|3.222365|5.327612|2.932449|0.080662|3.105140|2.586375|2.269054|3.537746|3.281011|2.139057|1.983322|1.764615|2.940841|1.500259|4.300855|3.834530|6.814947|4.749192|3.983852|4.180451|5.576174|8.887501|7.280110|17.580782|8.872807|3.657174|3.269515|3.274735|2.602033|0.092674|0.073674|0.083255|0.114239|0.083248|0.091691|0.078846|0.078878|0.083723|0.061618|0.054514|0.052638|0.058801|0.050062|0.046002|0.039959|0.042033|0.039596|0.090630|0.095977|0.223855|0.300979|0.500000| |3.999703|4.264648|6.787230|3.682074|3.568667|3.160133|2.925924|2.979378|3.312694|5.556570|2.846897|0.081021|2.846557|2.366602|2.150471|3.367583|3.190333|2.136784|2.014672|1.814698|3.047471|1.561355|3.869328|3.333888|5.607660|4.277344|3.969509|4.580253|6.676237|8.822917|5.880215|17.538444|12.265718|4.666907|4.226743|4.516161|3.159030|0.122741|0.090964|0.110547|0.150822|0.100964|0.100554|0.073115|0.075051|0.091171|0.062493|0.053929|0.052792|0.060612|0.052104|0.046805|0.041696|0.044151|0.040835|0.090356|0.107487|0.152180|0.303127|0.301256|0.500000| |3.870106|4.181447|5.794381|3.059279|3.309470|2.854631|2.425433|2.318668|2.543407|4.123945|2.847559|0.090272|2.680164|2.260135|2.154128|3.409825|3.270491|2.283232|2.348846|2.131656|3.770297|1.914353|3.636190|2.899854|4.601681|3.730825|4.596379|6.797621|7.026791|4.729387|3.789302|4.048168|16.528777|17.500382|8.838689|6.895836|6.853816|0.098059|0.091490|0.124945|0.136050|0.120733|0.108424|0.061244|0.057417|0.068208|0.065700|0.056169|0.061538|0.074753|0.060778|0.053078|0.052441|0.054000|0.048460|0.113790|0.229948|0.087851|0.111129|0.092010|0.116724|0.500000| |2.943493|3.174014|4.722325|2.594116|2.831283|2.576593|2.230513|2.106091|2.239299|3.637439|2.653475|0.082597|2.630181|2.241641|2.081662|3.306980|3.067931|2.096315|2.151708|1.932759|3.430190|1.739862|3.679228|2.943995|4.809290|3.780057|4.634070|6.830976|7.142022|4.828485|3.860807|4.131799|16.579853|17.529097|8.839307|5.493403|7.080098|0.077847|0.071441|0.090497|0.102517|0.089437|0.089335|0.057621|0.052883|0.059046|0.059013|0.052166|0.057752|0.067455|0.054068|0.048746|0.047927|0.048358|0.044521|0.114346|0.226338|0.089562|0.121815|0.093905|0.110719|0.301158|0.500000| |2.902918|2.889040|4.349312|2.311811|2.380099|2.155634|1.943161|1.902692|2.052162|3.459762|2.126391|0.063665|2.112196|1.839589|1.717928|2.767293|2.509615|1.736582|1.746889|1.608032|2.832799|1.469633|3.065398|2.356409|3.980482|2.890543|3.166327|4.065842|4.948950|4.077942|3.183763|4.214830|13.230512|9.007584|17.522507|8.911449|8.897445|0.080319|0.070216|0.090908|0.091590|0.077680|0.072020|0.050225|0.048646|0.056847|0.049519|0.044022|0.046694|0.053378|0.045519|0.041186|0.040395|0.041284|0.038023|0.078249|0.115998|0.078562|0.134620|0.095492|0.120408|0.174890|0.214322|0.500000| |4.499752|4.042377|5.592653|2.758346|2.743150|2.346532|2.090807|2.094887|2.361781|4.036550|2.230951|0.067653|2.093727|1.817260|1.757491|2.834119|2.647506|1.892231|1.912196|1.799839|3.168240|1.659784|2.965035|2.231973|3.648543|2.704420|2.990374|3.751825|4.276549|3.554556|2.893810|3.554395|10.165286|6.790140|8.781129|17.510011|6.845621|0.117910|0.105715|0.162722|0.122344|0.109572|0.084884|0.052712|0.052897|0.068638|0.055414|0.047593|0.049817|0.058990|0.052247|0.045570|0.045418|0.047635|0.042450|0.075386|0.109550|0.071655|0.098847|0.083082|0.112278|0.203546|0.139906|0.173533|0.500000| |3.442244|3.110514|4.595374|2.323377|2.293961|2.024667|1.847484|1.860288|2.062261|3.579322|1.935874|0.057587|1.864902|1.640435|1.569904|2.549993|2.320903|1.645920|1.651393|1.556208|2.738525|1.443816|2.718115|2.014237|3.374226|2.398705|2.574396|3.139957|3.668278|3.219797|2.622422|3.437761|8.750181|5.486502|8.784167|17.533801|6.870325|0.096168|0.083470|0.114227|0.094134|0.082497|0.068887|0.047239|0.047758|0.060218|0.047757|0.041928|0.043551|0.050169|0.044797|0.039906|0.039613|0.041181|0.037320|0.064921|0.089444|0.066496|0.101007|0.081279|0.107542|0.140416|0.123086|0.213334|0.301483|0.500000| |4.359846|4.016718|5.742723|2.876817|2.821281|2.437457|2.203039|2.225501|2.505288|4.302605|2.285898|0.067983|2.195405|1.888526|1.789395|2.866694|2.672312|1.870909|1.848789|1.716485|2.975797|1.549936|3.096981|2.409973|3.993057|2.970179|3.154561|3.960661|5.044874|4.408640|3.371809|4.844750|13.127203|6.894431|8.782879|17.597948|5.484631|0.124646|0.099229|0.144107|0.129296|0.102021|0.084901|0.055546|0.056408|0.072850|0.054693|0.047232|0.048387|0.056451|0.049586|0.043838|0.042096|0.044215|0.040035|0.076820|0.107826|0.084021|0.137924|0.108087|0.163492|0.171579|0.140321|0.213108|0.301160|0.301075|0.500000| |2.495977|2.515764|3.807201|2.041456|2.150846|1.968861|1.756073|1.693220|1.805338|3.020573|2.003050|0.061117|1.967707|1.744536|1.658595|2.701211|2.417856|1.699695|1.763676|1.638785|2.960371|1.541447|2.910742|2.127618|3.560312|2.532827|2.907291|3.647767|3.793971|3.059693|2.593674|2.909202|8.453074|6.927499|8.743123|5.474378|17.538377|0.066373|0.062566|0.078420|0.076594|0.071188|0.066281|0.045785|0.043299|0.049360|0.047940|0.043081|0.047544|0.054335|0.046009|0.041741|0.043047|0.043070|0.039571|0.076008|0.115252|0.063950|0.087078|0.069574|0.081351|0.168528|0.212878|0.213002|0.139558|0.140583|0.122551|0.500000| |2.603196|2.504419|3.779884|1.980420|2.029581|1.837512|1.661622|1.632579|1.763062|3.004960|1.825204|0.054992|1.776299|1.582402|1.516282|2.480858|2.217391|1.574340|1.617598|1.524143|2.738168|1.443313|2.641722|1.907090|3.204940|2.243607|2.492521|3.046025|3.296605|2.781672|2.348784|2.777774|7.477339|5.514078|8.781325|6.900613|17.547497|0.070059|0.065445|0.083474|0.075038|0.069736|0.061759|0.043128|0.041987|0.049610|0.044889|0.040148|0.043268|0.049381|0.043247|0.039014|0.040179|0.040728|0.037179|0.064743|0.092071|0.059015|0.082898|0.066894|0.080578|0.140202|0.143219|0.212196|0.170380|0.206497|0.140803|0.301720|0.500000| 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