Version2.4 2021-06-13T14:56:55Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 05-May-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCN1[C@H](C(=C(C1=O)[O-])C(=O)c2cccc(c2)OCCC)c3ccc(c(c3)OC)OCC(C)C C40101601 RHF 6-31G(d) (6D,7F) CCCCN1[C@H](C(=C(C1=O)[O-])C(=O)c2cccc(c2)OCCC)c3ccc(c(c3)OC)OCC(C)C C01[X(C29H36N1O6)] 210 C1 612 CCCCN1C(=O)C(=C([C@@H]1c1ccc(c(c1)OC)OCC(C)C)C(=O)c1cccc(c1)OCCC)[O-] CCCCN1C(=O)C(=C([C@@H]1c1ccc(c(c1)OC)OCC(C)C)C(=O)c1cccc(c1)OCCC)[O-] CCCCN1[C@@H](c2ccc(OCC(C)C)c(OC)c2)C(=C([O-])C1=O)C(=O)c3cccc(OCCC)c3 InChIKey=DBCJCLCXFHFBES-SANMLTNESA-M InChI=1S/C29H37NO6/c1-6-8-14-30-26(20-12-13-23(24(17-20)34-5)36-18-19(3)4)25(28(32)29(30)33)27(31)21-10-9-11-22(16-21)35-15-7-2/h9-13,16-17,19,26,32H,6-8,14-15,18H2,1-5H3/p-1/t26-/m0/s1 InChI=1/C29H37NO6/c1-6-8-14-30-26(20-12-13-23(24(17-20)34-5)36-18-19(3)4)25(28(32)29(30)33)27(31)21-10-9-11-22(16-21)35-15-7-2/h9-13,16-17,19,26,32H,6-8,14-15,18H2,1-5H3/p-1/t26-/m0/s1/fC29H36NO6/h32h/q-1 CCCCN1[C@H](C(=C(C1=O)[O-])C(=O)c2cccc(c2)OCCC)c3ccc(c(c3)OC)OCC(C)C C01[X(C29H36N1O6)] 210 C01 612 CCCCN1C(=O)C(=C([C@@H]1c1ccc(c(c1)OC)OCC(C)C)C(=O)c1cccc(c1)OCCC)[O-] CCCCN1C(=O)[C]([C]([C](=O)[C]2[CH][CH][CH][C]([CH]2)OCCC)[C@@H]1[C]1[CH][CH][C]([C]([CH]1)OC)OCC(C)C)=O CCCCN1[C@@H]([C]2[CH][CH][C](OCC(C)C)[C]([CH]2)OC)[C](C(=O)[C]3[CH][CH][CH][C]([CH]3)OCCC)C(=O)C1=O InChIKey=LNYWTVKAMUBTRK-SANMLTNESA-N InChI=1S/C29H36NO6/c1-6-8-14-30-26(20-12-13-23(24(17-20)34-5)36-18-19(3)4)25(28(32)29(30)33)27(31)21-10-9-11-22(16-21)35-15-7-2/h9-13,16-17,19,26H,6-8,14-15,18H2,1-5H3/t26-/m0/s1 InChI=1/C29H36NO6/c1-6-8-14-30-26(20-12-13-23(24(17-20)34-5)36-18-19(3)4)25(28(32)29(30)33)27(31)21-10-9-11-22(16-21)35-15-7-2/h9-13,16-17,19,26H,6-8,14-15,18H2,1-5H3/t26-/m0/s1 3941.7516130153 -1622.780171 1-A 21505.7397 133 479 612 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828.2939 835.6617 839.4206 845.3320 862.1889 869.0613 887.0291 895.5655 912.7490 919.7336 931.9113 965.6625 977.5397 983.6526 984.3792 993.7384 1000.3505 1009.8471 1015.2420 1017.1291 1018.9388 1031.0010 1048.2971 1053.3859 1066.5544 1076.5768 1082.4083 1092.8211 1108.2858 1119.5916 1133.7239 1165.4322 1171.8787 1192.6323 1202.7991 1203.8111 1223.0705 1224.0161 1228.4768 1239.5447 1254.1424 1256.9972 1278.8532 1284.3998 1296.1442 1301.8257 1304.4442 1307.0007 1308.7878 1319.8920 1335.2033 1345.2504 1351.4992 1365.6745 1381.6725 1393.4580 1408.4035 1412.1669 1416.2404 1423.9452 1433.0219 1442.8047 1445.9976 1447.5461 1450.6508 1464.0719 1469.4317 1483.1639 1495.5632 1510.3169 1520.8817 1534.9030 1556.2100 1562.3393 1563.8243 1568.8169 1569.3340 1584.0017 1586.0018 1592.2963 1602.8842 1611.4464 1635.0467 1636.0993 1636.2371 1638.3601 1638.9106 1639.2406 1644.0205 1645.0789 1645.3507 1648.7260 1650.5808 1652.4310 1655.1828 1656.1718 1660.1637 1666.3891 1675.5443 1681.0775 1706.1429 1772.4038 1792.5188 1802.3822 1814.9060 1815.1889 1944.0931 1958.4026 3169.1298 3177.3291 3179.4769 3179.5182 3188.4812 3189.2471 3194.0318 3195.8143 3196.1820 3198.7447 3202.0594 3207.3101 3212.5298 3220.5800 3221.6842 3226.7671 3240.3756 3240.8428 3243.3769 3247.2939 3254.7349 3258.0047 3258.7705 3262.4913 3262.7520 3270.5089 3285.3051 3301.5560 3302.3921 3342.1716 3381.3214 3382.2685 3391.6964 3397.2613 3400.7660 3405.2631 4.1122 4.1446 4.3695 3.6607 4.1922 3.7601 3.9892 4.2494 4.5875 5.5646 2.0565 2.9803 2.6377 4.0250 4.6446 3.4110 3.4216 2.4664 3.6523 3.9065 2.6642 3.6307 4.3798 4.2649 4.2582 3.0288 3.2904 1.7282 1.5161 1.2593 3.2523 1.4911 1.8157 1.3807 3.6859 1.6922 4.1321 4.0963 2.7664 5.1104 4.2248 5.3115 6.5217 4.8358 3.0652 4.3211 3.2669 3.7013 2.2547 5.3087 3.2178 4.2569 4.3710 6.2940 9.1837 5.3108 5.2276 7.0404 6.3362 7.4259 5.0706 5.7133 2.6825 2.1121 1.4624 3.9596 1.1095 5.2498 2.8613 2.9786 2.4629 2.3463 1.9417 4.1590 3.3383 6.2508 1.5122 3.8963 2.0141 1.6627 1.2001 1.6242 1.3523 1.6971 1.2611 1.5987 1.3237 2.2536 1.3652 1.8172 1.3631 3.6941 5.7788 1.3093 3.5620 2.6336 2.2907 2.9507 4.3021 2.1249 2.1985 3.6045 3.1277 2.4647 2.6554 2.4909 2.1184 2.4989 2.0474 2.2882 1.2721 1.8076 1.6024 2.0624 1.9503 1.5719 1.6554 2.4133 3.4208 1.9844 3.5371 1.2071 1.1827 1.6537 1.3018 4.1372 1.6084 1.3861 2.6050 1.0872 1.0910 1.3373 1.3642 1.6500 1.6273 1.3298 1.4151 2.9713 1.3295 1.2836 1.2507 1.5673 1.3068 1.7089 1.3860 2.3108 2.9049 3.0355 1.1044 1.1250 1.0624 1.0791 1.0602 1.2163 1.0454 1.0778 1.0415 1.0537 1.9976 1.1225 1.1152 1.0912 1.0634 1.0579 1.1312 1.1119 2.6719 5.2546 6.5889 10.8482 5.8612 6.4368 12.7852 11.9440 1.0827 1.0567 1.0548 1.0589 1.0397 1.0599 1.0526 1.0379 1.0420 1.0360 1.0848 1.0949 1.1075 1.0629 1.1048 1.0686 1.1020 1.1038 1.0938 1.1023 1.1013 1.1024 1.1022 1.1024 1.1013 1.1062 1.1041 1.0980 1.1036 1.0886 1.0932 1.0889 1.0934 1.0902 1.0943 1.0923 0.0002 0.0005 0.0007 0.0010 0.0024 0.0025 0.0038 0.0050 0.0073 0.0109 0.0059 0.0096 0.0099 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1.6613 1.6875 3.2065 1.8058 1.8001 1.7635 1.7268 1.7307 1.8711 1.8513 4.5826 9.7256 12.4735 20.7636 11.3748 12.4958 28.4702 26.9901 6.4069 6.2855 6.2824 6.3073 6.2276 6.3519 6.3267 6.2457 6.2719 6.2456 6.5533 6.6357 6.7340 6.4954 6.7563 6.5556 6.8177 6.8305 6.7795 6.8487 6.8734 6.8943 6.8961 6.9136 6.9073 6.9712 7.0213 7.0516 7.0911 7.1641 7.3639 7.3390 7.4109 7.4132 7.4569 7.4625 0.1783 1.3635 0.7302 0.2407 0.0161 0.3133 0.9035 0.5226 1.8879 4.4824 0.4572 5.1263 0.8973 0.6339 0.1731 0.4632 1.1084 0.0412 0.5008 0.2677 4.5944 1.6749 1.7359 0.9336 0.9056 3.6276 3.7280 0.6643 0.6615 0.0722 1.1159 0.2309 0.5435 0.0244 0.3002 0.1317 0.3138 3.0762 3.5393 3.9071 1.9406 2.5890 2.6112 4.8748 2.4500 0.9165 0.2645 1.8868 0.4062 3.9046 0.6843 1.6886 2.4047 5.8375 27.6002 9.6660 15.1145 4.1978 18.5871 28.7489 4.4213 5.9649 6.6858 2.4785 1.4076 6.6448 7.6591 53.9252 40.9363 78.1588 14.1828 9.2945 27.9502 5.8507 16.1831 20.0132 14.4823 7.8133 3.2869 8.1752 2.3248 30.8508 0.7479 22.9624 3.3287 3.2135 2.2647 8.3868 0.8890 4.4375 1.0771 16.0119 0.9433 1.5957 29.2884 0.9763 1.5342 0.9843 41.8643 45.5769 13.3380 21.5004 43.5680 3.7830 6.4785 9.4907 16.3392 30.1281 181.7874 105.1881 2.9027 8.6016 2.3856 32.5150 14.1226 10.8239 27.7082 14.5301 63.2364 92.4042 322.6057 0.7303 2.0197 18.5194 3.4860 291.1404 76.2327 20.8502 275.2627 5.1808 2.0833 17.8008 17.7403 88.0621 29.7950 1.5349 50.9493 810.2165 4.3501 2.6390 9.4462 9.7457 0.5560 73.9250 63.5651 202.1148 153.7308 305.6857 12.8135 20.9675 3.8221 0.7329 0.1289 1.5274 2.8103 0.4400 4.4045 3.0809 11.1077 5.6279 7.4783 2.4819 15.0109 18.3698 42.3935 4.7458 213.4055 138.2806 18.5680 416.4406 21.5637 19.2148 677.0142 659.8380 47.3250 18.6883 22.1995 36.8197 27.9532 26.8022 42.1529 60.3286 65.1083 51.7524 11.5541 24.9420 38.7392 17.9047 36.8410 30.2910 20.4960 4.3917 15.7055 80.0083 108.8514 84.4678 77.8550 85.9478 31.1074 101.2950 49.6343 25.7503 60.4961 24.5510 22.3691 14.0706 26.4881 16.0954 10.8343 2.0296 0.6994 0.3315 0.9278 1.1558 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MUNgauss RevisionA2.1 retrievium 13-Jun-2021 DUDE CCCCN1[C@H](C(=C(C1=O)[O-])C(=O)c2cccc(c2)OCCC)c3ccc(c(c3)OC)OCC(C)C C40101601 RHF 6-31G(d) (6D,10F) C1 494.254263 |X|Y|Z| 106.787296 85.255457 53.230391
78.547761 18 6 7 17 1
|36.858105| |12.461918|36.858105| |7.469651|12.455997|36.858105| |4.866508|7.484400|12.444695|36.858105| |3.784498|4.966608|7.669028|13.222545|53.358707| |3.268401|4.018745|5.629802|7.456724|17.778192|36.858105| |3.555834|4.260688|6.054352|6.826557|12.497444|17.507623|0.500000| |2.739689|3.197489|4.244030|5.111308|11.141345|12.519983|0.241615|36.858105| |2.738468|3.197441|4.237651|5.114330|11.113016|7.905643|0.167468|13.459377|36.858105| |3.334055|4.116373|5.828079|7.793990|19.172334|8.077896|0.172890|8.085988|12.364493|36.858105| |3.376598|4.128754|5.500781|6.762103|11.438377|5.429436|0.128128|5.408123|7.722317|15.843589|73.516695| |2.422965|2.749275|3.471750|3.983906|7.495863|5.282341|0.122572|7.882921|15.767631|7.970010|11.727203|73.516695| |2.343799|2.641328|3.313257|3.761045|6.982812|7.285418|0.176759|13.354803|7.564349|5.084280|6.947713|10.981301|36.858105| |2.072323|2.299214|2.802653|3.131802|5.548640|5.095671|0.126423|8.074623|6.411755|4.302215|6.228112|11.042572|15.698071|73.516695| |2.299178|2.551972|3.122189|3.422607|5.860509|6.262372|0.176733|7.517166|4.929455|3.940349|5.628734|7.414620|12.476979|14.587625|36.858105| |2.495689|2.711091|3.323509|3.440691|5.636334|5.805205|0.192221|6.037547|4.290459|3.689299|5.372960|6.471609|7.459150|9.878988|13.648933|36.858105| |2.311919|2.461128|2.887213|2.929799|4.517611|4.331446|0.141339|4.253408|3.284707|2.956108|4.466248|5.125860|4.994961|7.389284|7.931196|13.814330|36.858105| |2.032689|2.173892|2.487381|2.583632|3.938294|3.695318|0.112984|3.672596|2.900199|2.606240|3.988231|4.614517|4.410292|6.875213|6.817539|7.895552|13.690433|36.858105| |1.923151|2.090041|2.400770|2.576740|4.014131|3.808087|0.109704|3.943793|3.077124|2.691361|4.090665|4.924285|5.015971|8.013136|7.903338|6.867986|7.964470|13.739642|36.858105| |2.023442|2.234558|2.632769|2.901670|4.738054|4.697439|0.128957|5.254046|3.865271|3.211921|4.755860|6.096640|7.599703|11.661795|13.789262|7.956185|6.913172|7.918029|13.705275|36.858105| |1.716280|1.859677|2.091387|2.253495|3.441778|3.126500|0.087841|3.227301|2.637591|2.339224|3.625821|4.315415|3.944499|6.675896|5.277924|4.614817|5.197595|7.860268|14.037066|8.186455|73.516695| |1.611905|1.724819|1.903363|2.016151|2.999382|2.646406|0.075593|2.663759|2.239041|2.036539|3.208444|3.689892|3.110415|5.279298|3.974356|3.786938|4.507399|6.714098|7.981525|5.255602|24.252937|36.858105| |1.452049|1.553975|1.695406|1.806318|2.666603|2.293947|0.064247|2.323271|2.004835|1.833321|2.924398|3.351589|2.666523|4.645175|3.193924|2.975486|3.337743|4.401086|5.219045|4.085880|14.374226|12.539839|36.858105| |1.352599|1.432748|1.541466|1.621612|2.354109|1.985968|0.056116|1.987190|1.744303|1.620495|2.615131|2.929310|2.226060|3.871392|2.612118|2.521615|2.855746|3.604856|3.885323|3.146761|9.082468|7.526333|12.466162|36.858105| |2.916565|3.599927|4.514742|6.109724|10.540689|12.434209|0.249937|7.378410|5.380810|5.483713|7.464040|7.258956|5.840200|7.839982|5.683007|4.997632|4.107859|3.785166|4.058878|4.902420|6.099851|2.886462|2.521352|2.160470|36.858105| |2.559143|3.137854|3.746222|5.117211|8.467462|7.496740|0.156084|6.074397|5.030125|5.057532|7.213363|7.148920|5.068013|7.426918|4.616731|3.887778|3.314793|3.207035|3.579592|4.330812|5.699375|2.698962|2.447161|2.091985|13.807469|36.858105| |2.292976|2.759436|3.111570|4.000757|5.960317|4.984803|0.116964|4.273241|3.697223|3.727258|5.678631|5.602454|3.911348|6.058398|3.814453|3.292277|2.974034|3.003448|3.381519|3.865990|5.662738|2.735930|2.544942|2.182626|7.913636|13.711642|36.858105| |2.272861|2.696466|2.962825|3.627595|5.149062|4.393559|0.111303|3.672252|3.124768|3.166748|4.891466|4.779343|3.480814|5.375361|3.655803|3.286736|3.107009|3.209595|3.547845|3.811766|6.020587|2.984666|2.757445|2.381559|6.793947|7.903789|13.786682|36.858105| |2.513994|2.974774|3.304297|3.935959|5.525968|4.982376|0.134521|3.913827|3.203066|3.262172|4.963082|4.809357|3.709416|5.530956|4.137338|3.896325|3.750893|3.812063|4.035548|4.203133|6.531213|3.260381|2.875947|2.492799|7.857049|6.872475|7.954113|13.624128|36.858105| |2.879856|3.471040|4.103158|4.999650|7.363008|7.501092|0.207320|5.156756|3.961550|4.053509|5.902339|5.688792|4.644946|6.507817|5.210221|4.993714|4.495882|4.238945|4.370178|4.807698|6.570669|3.190436|2.732286|2.356450|13.667696|8.006597|6.931612|7.931507|13.784473|36.858105| |2.364149|2.712230|2.900803|3.259864|4.431878|3.839596|0.109026|3.153519|2.649275|2.696691|4.211986|4.079177|3.075196|4.712636|3.520542|3.473598|3.568186|3.734856|3.792400|3.665764|6.343220|3.356615|2.966884|2.643712|5.163458|4.616244|5.285346|8.148107|14.043726|7.865711|73.516695| |2.451469|2.737162|2.919245|3.119837|4.220051|3.682651|0.110928|3.037657|2.538260|2.574194|4.029324|3.918754|3.000369|4.578738|3.565958|3.752952|4.081885|4.221071|3.961367|3.645193|6.430089|3.520521|2.990361|2.716773|4.525289|3.814313|4.002338|5.262749|8.038707|6.758714|24.287226|36.858105| |2.021716|2.346738|2.497215|2.943729|4.077333|3.347948|0.087241|2.923617|2.568019|2.597637|4.130928|4.045670|2.840034|4.537847|3.000694|2.748486|2.683928|2.839171|3.117057|3.210624|5.546051|2.858488|2.740315|2.414847|4.580737|5.174799|7.848983|14.039341|8.142753|5.277202|13.048542|4.785626|73.516695| |1.833915|2.115958|2.234304|2.631672|3.656544|2.906121|0.074631|2.634092|2.387916|2.407729|3.899420|3.841572|2.563997|4.210978|2.624429|2.379158|2.303573|2.431973|2.693238|2.810323|4.884993|2.526596|2.503072|2.224254|3.774596|4.504995|6.707468|7.998525|5.243092|3.983982|8.488304|3.545494|24.255795|36.858105| |1.657412|1.875831|1.943626|2.219779|3.040628|2.392221|0.062914|2.193845|2.009445|2.026279|3.330496|3.279043|2.161922|3.596886|2.240710|2.074131|2.052714|2.187077|2.382921|2.411669|4.411965|2.364891|2.401477|2.198093|2.959679|3.330018|4.390350|5.206439|4.061377|3.186604|7.288532|3.201973|14.298011|12.494825|36.858105| |1.711464|1.932557|1.958301|2.207936|2.939869|2.276206|0.060789|2.047608|1.886699|1.940911|3.218864|3.068017|1.989080|3.282797|2.068909|1.962168|1.955863|2.054837|2.176781|2.180799|3.960406|2.157910|2.156065|2.017013|2.776131|3.015491|3.806154|4.601838|3.871826|3.054666|7.321478|3.266081|11.761904|7.546837|12.451617|36.858105| |1.502551|1.688425|1.744623|1.982609|2.727293|2.109581|0.055166|1.980164|1.850942|1.859053|3.096238|3.070502|1.956146|3.315187|1.990071|1.834682|1.804223|1.913546|2.090001|2.134353|3.891596|2.087383|2.157690|1.991094|2.527931|2.875734|3.631606|3.907562|3.147373|2.621930|5.516198|2.553817|9.111414|7.608422|12.442212|7.532022|36.858105| |17.528630|8.773410|6.767322|4.493180|4.979164|3.312243|0.103778|2.767084|2.695069|3.179986|5.548498|4.223374|2.402310|3.752322|2.407896|2.679137|2.511824|2.179874|2.027345|2.110441|3.192533|1.694431|1.512887|1.412083|2.946475|2.531652|2.272706|2.286299|2.581124|2.981370|4.371480|2.614751|3.613997|1.824686|1.654784|1.707631|1.491082|0.500000| |17.537020|8.780344|6.778532|4.502571|4.988957|3.122824|0.093246|2.705073|2.772863|3.380205|6.261072|4.426415|2.312536|3.671606|2.233177|2.414446|2.215605|1.943332|1.845932|1.955227|2.929589|1.543348|1.393892|1.297471|2.722294|2.416198|2.149199|2.101230|2.294242|2.629350|3.812772|2.212958|3.328420|1.715945|1.551588|1.588123|1.419342|0.301791|0.500000| |17.528282|8.756523|5.448802|4.040025|4.359372|2.815447|0.083767|2.395582|2.395767|2.864053|5.201139|3.822289|2.084436|3.314015|2.056445|2.213073|2.082819|1.860919|1.765578|1.841171|2.834420|1.510065|1.370890|1.286167|2.596687|2.326293|2.129517|2.128150|2.330630|2.597866|3.957842|2.301617|3.421174|1.757467|1.605811|1.675212|1.461107|0.301442|0.301398|0.500000| |8.862275|17.494919|8.844084|6.870857|6.297129|3.952262|0.117024|3.075308|2.982630|3.716889|6.426735|4.547620|2.581534|3.979912|2.549396|2.706748|2.500724|2.233249|2.143080|2.265547|3.405374|1.786433|1.609227|1.487063|3.756332|3.258303|2.932279|2.938743|3.292109|3.781954|5.400018|3.064178|4.557500|2.279766|2.023661|2.114586|1.799400|0.210681|0.173015|0.212556|0.500000| |8.866379|17.507620|8.860682|6.896435|6.313020|3.641894|0.102550|2.990507|3.087398|4.043888|7.602239|4.801012|2.471236|3.883868|2.345451|2.435840|2.209399|1.982069|1.932956|2.077381|3.092839|1.612722|1.468799|1.355548|3.322862|3.022613|2.680736|2.574730|2.752691|3.132476|4.442512|2.468459|4.022819|2.078117|1.843656|1.900102|1.677584|0.172992|0.210908|0.212628|0.303832|0.500000| |6.840546|8.838479|17.544424|8.910169|9.563093|5.070957|0.147341|4.188560|4.451112|6.264553|11.335550|6.634633|3.265551|5.002384|2.991773|3.167784|2.724185|2.342322|2.269660|2.507066|3.523226|1.801235|1.611321|1.466267|3.930858|3.373262|2.800512|2.627091|2.866897|3.494494|4.504294|2.549911|3.985655|2.039850|1.785310|1.784717|1.623531|0.168326|0.203022|0.139927|0.173422|0.211692|0.500000| |6.855490|8.849800|17.502082|8.842784|9.498400|6.027801|0.204408|4.430580|4.150948|5.213877|8.241716|6.006769|3.533661|5.212235|3.455487|3.849485|3.340250|2.794305|2.634100|2.861024|4.008670|2.054270|1.802723|1.637356|4.710663|3.707888|3.089021|3.015930|3.492339|4.476933|5.512392|3.225769|4.501855|2.228422|1.946461|1.958153|1.732421|0.203242|0.168910|0.140097|0.211433|0.173656|0.302970|0.500000| |4.525656|6.853892|8.822290|17.558020|12.582678|7.093703|0.184755|4.669143|4.366786|5.818330|8.952447|6.169042|3.603228|5.316405|3.422392|3.435023|2.998415|2.686442|2.680939|2.975303|4.190946|2.117956|1.896146|1.702497|7.026304|5.730115|4.609480|4.304912|4.786443|6.111214|6.895422|3.631959|6.073641|2.974500|2.480444|2.494212|2.172227|0.119231|0.111184|0.108378|0.206424|0.171450|0.174031|0.210750|0.500000| |4.538519|6.859672|8.870757|17.597158|12.662077|5.647827|0.139566|4.387365|4.719950|7.391741|13.415872|6.857499|3.320681|5.095006|2.971193|2.928423|2.531918|2.278713|2.299050|2.581982|3.643114|1.842974|1.675851|1.511658|4.979747|4.647644|3.759856|3.335420|3.449881|4.110085|5.154514|2.732326|4.932225|2.552407|2.161188|2.153250|1.960396|0.111259|0.120013|0.108566|0.170361|0.207409|0.214322|0.173847|0.302443|0.500000| |2.774342|2.987932|3.774569|3.761801|6.208927|6.192295|0.221350|6.370434|4.665850|4.080410|5.914017|6.941210|6.913361|9.223693|8.895124|17.728488|8.923900|5.625666|4.950415|5.657301|6.510160|3.130200|2.549218|2.214384|4.780715|3.693191|3.071954|3.021281|3.547558|4.606636|5.622952|3.416360|4.504381|2.215526|1.937467|1.854251|1.726061|0.083412|0.075281|0.067171|0.081202|0.073680|0.101577|0.124806|0.101049|0.087684|0.500000| |2.377383|2.472843|2.857498|2.799067|4.183458|3.830215|0.127713|3.668715|2.957229|2.741453|4.218454|4.659437|4.068856|6.180915|5.638152|8.937915|17.688742|8.933246|5.662516|4.970810|7.448565|3.904397|2.978784|2.650803|3.580638|2.915697|2.643758|2.782202|3.357796|3.959822|5.856250|3.892748|4.346940|2.109261|1.906491|1.844897|1.681291|0.073002|0.063195|0.059546|0.069770|0.061108|0.074999|0.093199|0.079321|0.067284|0.215089|0.500000| |1.913421|2.020770|2.262504|2.320053|3.447361|3.117252|0.095037|3.054298|2.499315|2.292335|3.570437|4.028983|3.532674|5.669345|4.925754|5.639813|8.916088|17.748760|8.853639|5.622877|12.468613|7.429319|4.677495|4.011289|3.224156|2.793209|2.684297|2.918996|3.441777|3.667067|6.291293|4.117906|4.735938|2.292644|2.108331|1.999567|1.846543|0.057202|0.050696|0.049134|0.057987|0.051274|0.059176|0.070301|0.067316|0.057389|0.124138|0.216543|0.500000| |1.893019|2.101069|2.453897|2.752537|4.501246|4.297956|0.112190|4.965857|3.813958|3.127978|4.673946|6.168193|7.077569|12.229985|8.931321|5.650158|4.975921|5.651859|8.950302|17.751404|13.456409|4.869213|4.108681|3.109491|4.626580|4.441516|4.047353|3.852330|3.984325|4.351277|6.104086|3.277236|5.833473|2.951933|2.509903|2.220562|2.249006|0.054201|0.051001|0.048149|0.059086|0.055021|0.065313|0.072443|0.078254|0.069414|0.124215|0.107883|0.123987|0.500000| |1.574257|1.665560|1.836899|1.916909|2.848012|2.491255|0.072008|2.533717|2.148558|1.950043|3.087439|3.568989|2.968352|5.090995|3.783239|3.744388|4.596603|6.787290|7.048909|4.765282|16.536757|17.508799|8.845738|6.864145|2.633796|2.439620|2.428210|2.608371|2.861865|2.873321|5.223164|3.151408|4.418272|2.219255|2.087741|1.932170|1.865540|0.046176|0.042066|0.040948|0.047628|0.043177|0.048639|0.055308|0.055384|0.048690|0.086777|0.113601|0.227808|0.119922|0.500000| |1.683244|1.802131|1.974449|2.084386|3.056563|2.696909|0.078035|2.629000|2.204528|2.042625|3.219203|3.592558|2.983751|4.938236|3.819110|3.772998|4.618020|6.814303|7.109395|4.806498|16.544424|17.511974|8.845055|6.858808|2.990058|2.755097|2.825072|3.185286|3.587501|3.437968|6.862775|4.190001|5.467425|2.651083|2.498982|2.312692|2.163194|0.049385|0.044410|0.043897|0.052351|0.046558|0.051377|0.059527|0.061562|0.052644|0.087282|0.113683|0.225557|0.120600|0.301147|0.500000| |1.469853|1.586842|1.727799|1.863632|2.746043|2.359716|0.065278|2.368641|2.044858|1.879622|2.995790|3.404276|2.686907|4.654233|3.166226|2.891679|3.160024|4.052406|4.931516|4.060695|13.167186|8.948852|17.553338|8.823815|2.659718|2.630892|2.807251|3.078284|3.137517|2.892749|5.753933|3.150180|5.548463|2.859761|2.750803|2.415442|2.451289|0.042328|0.039072|0.038608|0.045856|0.041813|0.045397|0.050716|0.054761|0.048178|0.069126|0.077958|0.115402|0.116988|0.174258|0.213289|0.500000| |1.396237|1.492043|1.634243|1.742194|2.593478|2.219771|0.061663|2.299420|2.000829|1.807677|2.890119|3.385292|2.676640|4.782274|3.146829|2.879316|3.153363|4.046881|4.912929|4.037776|13.171456|8.946332|17.549847|8.823701|2.401986|2.354709|2.420091|2.552456|2.620928|2.534495|4.688274|2.633845|4.467972|2.341080|2.231481|1.993686|2.043926|0.040272|0.037461|0.036574|0.042608|0.039335|0.043494|0.048055|0.050315|0.045122|0.068886|0.077930|0.115679|0.116448|0.213119|0.174229|0.303589|0.500000| |1.387205|1.468677|1.569766|1.647106|2.367103|1.993245|0.056684|1.959418|1.717684|1.614443|2.607521|2.864283|2.162574|3.706152|2.544675|2.495788|2.855575|3.578337|3.727034|3.013160|8.323150|6.803229|8.762264|17.530683|2.187204|2.104285|2.213734|2.464043|2.610612|2.432065|5.064004|2.966979|4.494164|2.298358|2.298175|2.136094|2.052774|0.040332|0.036767|0.036743|0.042622|0.038497|0.041223|0.046424|0.048393|0.042557|0.061151|0.074541|0.112767|0.081468|0.168529|0.203078|0.210001|0.172497|0.500000| |1.269014|1.344419|1.439531|1.518356|2.197787|1.832863|0.051351|1.840598|1.635196|1.522895|2.473065|2.764853|2.046452|3.593438|2.344525|2.242575|2.480904|3.029741|3.295560|2.789204|7.494829|5.484055|8.788195|17.553097|1.994819|1.961119|2.062318|2.232709|2.289562|2.150588|4.290577|2.434420|4.080870|2.158129|2.163308|1.973615|1.991384|0.036618|0.033880|0.033639|0.038717|0.035538|0.038142|0.042163|0.044208|0.039610|0.055378|0.064243|0.091106|0.078214|0.140388|0.140322|0.211676|0.211713|0.301924|0.500000| |1.324473|1.392122|1.498208|1.560962|2.266677|1.906219|0.054255|1.919450|1.691175|1.567878|2.536504|2.852876|2.157205|3.770291|2.534602|2.487955|2.850956|3.575006|3.719195|3.003766|8.324473|6.803150|8.760552|17.528624|2.036097|1.953785|2.007165|2.166750|2.288028|2.206084|4.287872|2.521690|3.856235|2.000279|1.966814|1.825981|1.793729|0.038532|0.035408|0.034966|0.039962|0.036525|0.039775|0.044346|0.045224|0.040393|0.060988|0.074526|0.113051|0.081282|0.203271|0.168381|0.172483|0.209920|0.301475|0.301890|0.500000| |2.477647|3.024421|3.641542|5.009409|8.773594|6.957857|0.140550|6.485546|5.911903|5.817397|8.254246|8.440884|5.187128|7.898127|4.314240|3.588306|3.014034|2.893812|3.235193|3.979679|5.193536|2.462948|2.261790|1.941680|8.953225|17.735385|8.927240|5.642231|4.953396|5.672718|6.512532|3.149593|7.435058|3.910839|2.979278|2.692724|2.676665|0.067246|0.066128|0.062502|0.084885|0.082645|0.094246|0.097519|0.144075|0.133033|0.096735|0.074164|0.070268|0.116426|0.062641|0.068675|0.067030|0.061444|0.053744|0.050947|0.050714|0.500000| |2.092254|2.489985|2.758462|3.486203|5.140407|4.081768|0.096740|3.718424|3.379137|3.388054|5.322254|5.300715|3.457555|5.584166|3.293926|2.844027|2.590589|2.638714|2.983519|3.386157|5.137828|2.509547|2.398420|2.071013|5.655181|8.957155|17.751734|8.927039|5.646906|4.985270|7.577537|3.336382|12.529764|7.474407|4.690567|3.892075|4.068479|0.057136|0.054956|0.054488|0.072789|0.068435|0.070287|0.074974|0.108008|0.094589|0.074271|0.064553|0.066358|0.101218|0.062134|0.071094|0.073902|0.064067|0.057996|0.055101|0.052831|0.217139|0.500000| |3.086909|3.635584|4.316867|4.844459|6.944672|7.036199|0.233497|4.880397|3.750114|3.842984|5.647329|5.422890|4.476213|6.245170|5.315993|5.700696|5.293470|4.708108|4.488400|4.713853|6.524006|3.237627|2.702769|2.361134|8.959355|5.692401|4.985475|5.644155|8.947768|17.755606|12.605840|7.570718|7.581879|3.327480|2.793736|2.735541|2.330609|0.091402|0.077611|0.076582|0.110343|0.088314|0.101136|0.139199|0.159643|0.108043|0.148050|0.132606|0.113183|0.112891|0.082596|0.098355|0.077764|0.069308|0.068092|0.059257|0.062166|0.124828|0.108125|0.500000| |2.376183|2.625243|2.875359|3.052295|4.279927|3.882980|0.119183|3.274139|2.667831|2.633611|4.073892|4.115235|3.343304|5.055302|4.201892|4.518339|5.186696|5.542952|4.992068|4.370507|7.788397|4.230665|3.400514|3.020988|4.649712|3.820483|3.872189|4.849020|7.160608|6.815811|16.452470|17.561003|7.621789|3.278963|2.939618|2.896950|2.397159|0.070877|0.060363|0.061312|0.079699|0.065599|0.070767|0.089589|0.096005|0.073729|0.109662|0.133914|0.148958|0.104988|0.104509|0.143648|0.097822|0.082407|0.091141|0.073599|0.078229|0.088340|0.089731|0.225410|0.500000| |2.804360|3.138684|3.304815|3.446630|4.503283|3.847379|0.119603|3.071607|2.591163|2.695075|4.233587|3.970230|2.943796|4.456030|3.424606|3.721885|3.962996|3.845666|3.522008|3.338617|5.590480|3.038198|2.597405|2.385181|4.554135|3.719102|3.755177|4.689219|6.952483|6.716876|16.433545|17.536055|7.397923|3.196000|2.880591|3.000253|2.346491|0.084224|0.069034|0.072890|0.099883|0.076991|0.078483|0.103281|0.113280|0.082495|0.097712|0.108553|0.103361|0.083050|0.077709|0.097460|0.074900|0.064808|0.071510|0.059871|0.062528|0.086185|0.087189|0.230210|0.299364|0.500000| |2.231097|2.442619|2.545835|2.678702|3.595517|3.045929|0.090693|2.597596|2.220208|2.247489|3.576557|3.487660|2.592992|4.052291|3.041587|3.193201|3.539318|3.757151|3.517276|3.166320|5.955142|3.414833|2.969546|2.787658|3.620555|3.195563|3.418351|4.412575|5.884756|4.916418|17.025541|17.614297|7.747920|3.335466|3.164926|3.304457|2.525580|0.066021|0.056149|0.059055|0.075727|0.061823|0.062610|0.077219|0.085157|0.066525|0.081327|0.095835|0.106475|0.080386|0.085286|0.115065|0.086871|0.071797|0.086679|0.069539|0.071615|0.075298|0.082076|0.147365|0.299376|0.300270|0.500000| |1.898270|2.215210|2.321063|2.775147|3.796095|2.923241|0.074209|2.629026|2.433690|2.506063|4.103787|3.915214|2.496396|4.098661|2.493926|2.272188|2.170138|2.244549|2.455436|2.601381|4.370977|2.255703|2.215993|1.984752|3.758972|4.617367|6.805022|7.110866|4.788983|3.824062|7.529357|3.234885|16.534912|17.497457|8.833681|6.877152|6.868460|0.051894|0.049325|0.050679|0.066337|0.061217|0.058808|0.063263|0.087415|0.076203|0.059691|0.055576|0.058567|0.075599|0.055903|0.065363|0.068984|0.058199|0.056722|0.053529|0.050218|0.113984|0.227692|0.088692|0.082710|0.083814|0.083901|0.500000| |1.750869|2.009732|2.153155|2.538588|3.624984|2.914192|0.073940|2.724998|2.468110|2.429960|3.916689|4.006208|2.702400|4.503702|2.741022|2.426421|2.331816|2.486487|2.825433|2.993418|5.204500|2.643168|2.655851|2.316749|3.748228|4.608919|6.791349|7.088447|4.774184|3.810483|7.510946|3.257812|16.563215|17.521156|8.841140|5.495754|7.058322|0.048426|0.045917|0.046368|0.059299|0.054871|0.055238|0.059733|0.078101|0.068458|0.062259|0.058663|0.064617|0.089871|0.064077|0.075539|0.085302|0.069834|0.065498|0.062786|0.057617|0.114049|0.228546|0.088461|0.086700|0.081317|0.084662|0.301005|0.500000| |1.601850|1.795808|1.870985|2.111929|2.921626|2.338290|0.062123|2.162644|1.958886|1.948943|3.185723|3.202446|2.170706|3.621638|2.292392|2.123211|2.132396|2.315490|2.537650|2.516803|4.804014|2.611704|2.696765|2.472700|2.876059|3.158675|4.059245|4.934709|4.037037|3.153359|7.530384|3.346152|13.226059|9.010209|17.522803|8.914468|8.896791|0.044780|0.041715|0.043013|0.053668|0.048630|0.047857|0.052617|0.065181|0.056524|0.054512|0.054867|0.062553|0.072743|0.063238|0.077169|0.087528|0.068691|0.072395|0.067825|0.060545|0.078183|0.116435|0.077781|0.086339|0.081519|0.093583|0.174851|0.215034|0.500000| |1.834610|2.075554|2.098957|2.356594|3.113166|2.433937|0.065749|2.150951|1.958286|2.023176|3.331827|3.154211|2.084297|3.399094|2.199001|2.108479|2.118306|2.223172|2.328460|2.309853|4.197010|2.297062|2.256503|2.111611|3.002440|3.172708|3.978008|5.124986|4.505438|3.429334|9.044527|3.912560|13.281106|6.910933|8.794554|17.602058|5.485109|0.051181|0.046905|0.049818|0.063833|0.056088|0.052598|0.058805|0.075013|0.062991|0.055242|0.055660|0.060253|0.064402|0.057000|0.069496|0.069935|0.057322|0.062781|0.056708|0.053127|0.077039|0.107691|0.085671|0.093165|0.098839|0.111266|0.171092|0.140716|0.213527|0.500000| |1.753940|1.994426|2.001265|2.270782|2.983868|2.263130|0.060043|2.027564|1.893373|1.974732|3.305262|3.081580|1.941086|3.204191|1.987418|1.887185|1.860055|1.925847|2.031317|2.062698|3.648261|1.971527|1.955724|1.827451|2.739243|3.010407|3.765972|4.342228|3.632359|2.948423|6.614069|2.996913|10.249813|6.797384|8.780214|17.510715|6.834818|0.048165|0.045181|0.047908|0.060720|0.055062|0.050643|0.054916|0.071356|0.062363|0.050053|0.048903|0.051764|0.058351|0.049516|0.058229|0.060154|0.050749|0.053339|0.049652|0.046413|0.075600|0.108972|0.073191|0.073994|0.078646|0.082829|0.203006|0.139792|0.173553|0.301184|0.500000| |1.581287|1.761646|1.774476|1.969055|2.622849|2.025438|0.054536|1.843114|1.707050|1.748565|2.918086|2.799119|1.804657|3.002780|1.882893|1.798070|1.808305|1.907609|2.008369|1.990353|3.687976|2.041883|2.066228|1.967670|2.412880|2.581869|3.144805|3.696827|3.251905|2.644713|6.264632|2.926787|8.792714|5.489086|8.785287|17.527489|6.866321|0.043927|0.040890|0.043218|0.053297|0.048137|0.045227|0.049409|0.061043|0.053441|0.047265|0.047699|0.052112|0.056221|0.051079|0.060752|0.064072|0.053076|0.058140|0.053959|0.049506|0.065002|0.089294|0.067189|0.072865|0.074921|0.084231|0.140203|0.123117|0.213334|0.300699|0.301355|0.500000| |1.455636|1.632358|1.704647|1.940609|2.712580|2.112448|0.054901|2.017690|1.886558|1.867821|3.101883|3.150702|2.016128|3.453173|2.041248|1.857990|1.820245|1.943167|2.153751|2.214019|4.056001|2.156987|2.259369|2.062415|2.519479|2.898866|3.637792|3.783727|3.038513|2.571804|5.226517|2.443904|8.446508|6.929265|8.741914|5.471214|17.535943|0.040162|0.038412|0.039137|0.047915|0.045029|0.044354|0.047084|0.058471|0.053269|0.048321|0.046804|0.051878|0.065819|0.053361|0.061266|0.071888|0.060034|0.058364|0.057686|0.051423|0.075898|0.115597|0.063381|0.064936|0.062131|0.066622|0.169234|0.212304|0.212808|0.122592|0.139454|0.140469|0.500000| |1.410193|1.568747|1.608863|1.802315|2.466404|1.903208|0.050294|1.792148|1.679775|1.687176|2.824901|2.800641|1.778617|3.026182|1.820662|1.695868|1.683386|1.789514|1.936393|1.952421|3.626348|1.977990|2.064141|1.939896|2.241564|2.490845|3.042287|3.300378|2.778980|2.343888|5.001719|2.373349|7.485086|5.512975|8.780920|6.887193|17.544488|0.038961|0.037029|0.038276|0.046427|0.043263|0.041708|0.044503|0.054587|0.049479|0.044405|0.043886|0.048451|0.056768|0.049385|0.057068|0.064826|0.054233|0.055828|0.054339|0.048585|0.064702|0.092051|0.058903|0.061893|0.060716|0.066348|0.140301|0.143027|0.212303|0.140689|0.169877|0.206089|0.301691|0.500000| |1.525690|1.723040|1.769834|2.022825|2.758947|2.096855|0.054507|1.962569|1.858550|1.888333|3.172361|3.088297|1.912031|3.239809|1.917340|1.771260|1.725742|1.806071|1.960077|2.024545|3.596238|1.917108|1.958485|1.808423|2.496442|2.872064|3.598748|3.734484|3.002115|2.545989|5.163663|2.405753|8.314851|6.857384|8.760225|6.797067|17.518486|0.041752|0.040063|0.041330|0.050965|0.047985|0.045797|0.048341|0.061490|0.056241|0.046713|0.044824|0.048202|0.059126|0.048041|0.055024|0.060943|0.051898|0.051605|0.050055|0.045725|0.075265|0.114478|0.062767|0.062519|0.062505|0.065509|0.203160|0.172784|0.173231|0.139460|0.201900|0.168076|0.301291|0.301832|0.500000|
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