Version2.1 2020-12-18T11:42:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 10-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c(n(n1)c2ccccc2)Oc3ccc(cc3)Cl)C[NH+](C[C@@H](COCC#C)O)C(C)C C36303721 RHF 6-31G(d) (6D,7F) Cc1c(c(n(n1)c2ccccc2)Oc3ccc(cc3)Cl)C[NH+](C[C@@H](COCC#C)O)C(C)C C01[X(C26H31Cl1N3O3)] 186 C1 561 C#CCOC[C@H](C[NH+](C(C)C)Cc1c(C)nn(c1Oc1ccc(cc1)Cl)c1ccccc1)O C#CCOC[C@H](C[NH+](C(C)C)Cc1c(C)nn(c1Oc1ccc(cc1)Cl)c1ccccc1)O CC(C)[NH+](C[C@H](O)COCC#C)Cc1c(C)nn(c2ccccc2)c1Oc3ccc(Cl)cc3 InChIKey=JVBHIMSOHQSORS-QHCPKHFHSA-O InChI=1S/C26H30ClN3O3/c1-5-15-32-18-23(31)16-29(19(2)3)17-25-20(4)28-30(22-9-7-6-8-10-22)26(25)33-24-13-11-21(27)12-14-24/h1,6-14,19,23,31H,15-18H2,2-4H3/p+1/t23-/m0/s1 InChI=1/C26H30ClN3O3/c1-5-15-32-18-23(31)16-29(19(2)3)17-25-20(4)28-30(22-9-7-6-8-10-22)26(25)33-24-13-11-21(27)12-14-24/h1,6-14,19,23,31H,15-18H2,2-4H3/p+1/t23-/m0/s1/fC26H31ClN3O3/h29H/q+1 Cc1c(c(n(n1)c2ccccc2)Oc3ccc(cc3)Cl)C[NH+](C[C@@H](COCC#C)O)C(C)C C01[X(C26H31Cl1N3O3)] 186 C01 561 C#CCOC[C@H](C[NH+](C(C)C)Cc1c(C)nn(c1Oc1ccc(cc1)Cl)c1ccccc1)O C#CCOC[C@H](C[NH](C(C)C)C[C]1[C]([N][N@]([C]1O[C]1[CH][CH][C]([CH][CH]1)Cl)[C]1[CH][CH][CH][CH][CH]1)C)O C[C]1[N]N([C]2[CH][CH][CH][CH][CH]2)[C](O[C]3[CH][CH][C](Cl)[CH][CH]3)[C]1C[NH](C[C@H](O)COCC#C)C(C)C InChIKey=LHNJXKPBYASQRV-QHCPKHFHSA-N InChI=1S/C26H31ClN3O3/c1-5-15-32-18-23(31)16-29(19(2)3)17-25-20(4)28-30(22-9-7-6-8-10-22)26(25)33-24-13-11-21(27)12-14-24/h1,6-14,19,23,29,31H,15-18H2,2-4H3/t23-/m0/s1 InChI=1/C26H31ClN3O3/c1-5-15-32-18-23(31)16-29(19(2)3)17-25-20(4)28-30(22-9-7-6-8-10-22)26(25)33-24-13-11-21(27)12-14-24/h1,6-14,19,23,29,31H,15-18H2,2-4H3/t23-/m0/s1 3651.0980578580 -1849.727873 1-A 16475.0266 124 437 561 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3320.8250 3355.0402 3364.1591 3374.4066 3384.8504 3393.6777 3396.9423 3398.7136 3408.4560 3411.0126 3411.4499 3414.9723 3659.0776 3688.2912 4059.6473 7.3594 7.2023 6.4111 4.4007 4.2116 4.3134 4.3153 4.4446 3.6900 3.8877 4.0486 3.4160 3.4069 5.0330 4.1945 5.1760 2.4870 3.5709 1.7559 2.2412 3.7730 3.1126 6.5461 1.3291 3.1409 3.5222 1.1982 2.4849 4.6830 3.9284 3.7166 4.4217 5.2490 5.6769 3.4971 2.8733 4.3008 3.2931 5.2274 3.0048 3.0702 2.9079 1.5127 3.0438 2.0488 3.0804 3.5234 2.9702 2.8542 3.5743 4.9391 3.7627 5.8341 4.9237 6.6598 6.5459 5.6325 4.5772 2.4997 3.8331 1.2800 5.7391 3.2210 1.3089 1.9138 4.6684 3.2729 1.3065 2.7868 3.3914 1.3079 1.8200 3.1937 2.0716 1.8013 1.3018 1.4891 3.1747 1.4280 2.4308 1.3623 6.0598 3.1701 1.3496 1.3728 3.0989 2.7276 1.7850 1.6368 1.3446 2.5580 3.3662 1.5511 1.7247 2.0659 2.5541 3.1480 2.5913 2.3580 1.9827 3.3975 2.1178 2.8512 3.2482 1.3091 3.5875 1.1919 2.0289 3.1458 1.8872 1.2031 4.0009 1.1225 1.2871 1.1050 1.8903 1.3041 1.2973 1.3363 1.2550 1.4031 1.2507 1.6855 1.4925 1.4983 1.3181 2.6858 1.3092 1.6237 1.3435 1.2558 1.2440 1.3124 1.8596 1.1014 1.3892 1.1746 1.2563 1.2329 1.4456 1.1721 1.1706 1.2655 1.1226 1.1684 2.2038 1.0958 2.6209 7.0870 7.0753 6.8056 5.9573 6.0364 5.3382 5.6271 1.0572 1.0418 1.0567 1.0383 1.0379 1.1046 1.1082 1.1019 1.0895 1.0915 1.0834 1.0892 1.0875 1.0999 1.0754 1.0952 1.0986 1.1092 1.1089 1.0881 1.0918 1.0913 1.0953 1.0914 1.0958 1.0968 1.0966 1.0957 1.1744 1.0774 1.0664 0.0003 0.0007 0.0007 0.0030 0.0039 0.0050 0.0056 0.0071 0.0060 0.0082 0.0126 0.0153 0.0189 0.0344 0.0310 0.0498 0.0299 0.0531 0.0267 0.0386 0.0803 0.0948 0.2057 0.0480 0.1270 0.1579 0.0555 0.1207 0.2353 0.2526 0.2547 0.3407 0.4194 0.4750 0.2955 0.2522 0.3953 0.3519 0.6328 0.3713 0.3920 0.3860 0.2180 0.4570 0.3303 0.5263 0.6496 0.5594 0.5433 0.7612 1.2213 0.9554 1.5587 1.3473 1.9211 1.9434 1.7887 1.5499 0.8769 1.3608 0.4985 2.2956 1.3634 0.5693 0.8382 2.1383 1.5485 0.6707 1.4393 1.7959 0.6982 0.9776 1.7617 1.2160 1.1027 0.8223 0.9496 2.0493 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1.3935 0.0214 7.8216 2.5457 5.5297 1.2740 0.0677 0.3689 26.0457 81.7748 4.4410 56.6593 15.4903 6.4738 26.6357 4.8202 2.3324 5.3376 6.0013 0.6406 11.5618 3.1380 37.0808 10.3076 8.4129 20.0199 0.6397 48.2742 5.8305 20.5085 37.6493 32.7140 13.0802 33.5022 6.0990 9.5643 9.8673 0.3819 75.4641 52.0175 32.2484 7.1453 5.4872 0.3732 7.9186 5.3618 13.6443 0.5825 1.9023 34.5321 0.2537 0.3858 22.8323 24.9525 23.5794 9.2464 2.0212 58.6893 32.2041 4.7035 1.6795 3.3896 17.9898 62.6225 2.3335 1.0925 7.7689 39.8303 23.5099 7.1568 70.3839 61.4594 236.8201 9.8028 4.4812 21.9779 59.5528 25.5954 164.7581 2.9940 21.3983 4.1999 7.8910 1.5402 12.0710 126.3326 28.5683 10.5009 56.8980 54.1833 68.4152 71.9169 20.6879 2.4931 12.4194 20.2390 49.5623 33.9338 53.3350 26.5866 107.7623 11.3861 8.7483 1.1291 17.4566 10.6936 59.9285 12.5024 17.0898 19.8537 6.8343 73.8913 200.7783 2.9066 150.9139 106.1074 146.4933 16.0128 39.6376 58.3032 14.1871 14.0738 19.8486 28.9502 35.1077 10.9054 3.7425 20.0892 31.4628 22.0449 48.5956 1.9320 4.6492 3.6334 29.7377 4.4662 4.9672 31.4333 3.9493 5.2779 4.5994 0.4321 7.8958 2.4703 22.1032 0.9580 4.7211 1.2921 0.6550 1.8717 61.9434 75.5024 171.3715 3.4158 1.2381 2.2715 1.9967 1.4336 7.6689 0.6241 5.8505 3.5393 1.9998 1.1274 1.5629 1.0105 0.2229 0.7046 1.7359 0.7162 1.1308 0.5962 1.2139 1.4948 3.3555 2.9984 0.8179 3.5305 1.6354 0.2532 0.3607 4.6522 1.8783 1.0323 1.4308 3.3898 1.3370 0.9464 13.0700 2.9972 1.1484 1.1871 0.5641 0.1216 2.1095 1.6254 2.9433 1.7262 3.4394 1.5801 2.0608 0.7039 3.1135 1.7212 5.6930 4.9610 2.1313 4.6894 6.6611 1.6408 1.3831 1.7140 1.0944 2.6238 3.6912 1.2546 3.6726 1.9202 26.9898 2.4672 1.6144 3.1101 6.3778 2.7445 0.9747 4.0578 4.1237 4.3231 2.5154 2.2959 2.6242 2.5366 12.5189 2.0097 34.4215 4.2625 0.1241 0.3392 0.7594 16.8874 5.5626 1.0748 0.3885 8.8335 12.2287 1.7586 0.1396 0.9077 10.0350 9.0378 6.4673 8.0881 1.8359 0.5160 3.0265 3.9747 3.9236 5.2029 4.7103 4.0423 3.4248 4.2485 1.3992 2.9449 5.0841 15.2291 19.5855 1.6623 16.6731 3.2416 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1.00783 1.00783 1.00783 16585.1871 19855.3169 23074.8823 0.99870 0.04388 0.02607 -0.04570 0.99624 0.07365 -0.02274 -0.07474 0.99694 1 0.00522 0.00436 0.00375 0.10882 0.09089 0.07821 12.55 17.91 19.98 49.14 56.92 64.02 67.64 74.86 75.29 85.96 104.64 125.60 139.61 154.99 161.11 183.82 205.52 228.65 231.23 246.14 273.41 327.21 332.31 356.16 376.91 396.88 403.32 413.15 420.12 475.26 490.66 520.32 529.86 542.19 544.84 555.29 568.26 612.75 652.17 658.88 669.80 682.95 711.55 726.33 752.57 774.80 804.83 813.44 817.84 865.03 932.08 944.54 968.86 980.50 1006.73 1021.32 1056.30 1090.74 1110.16 1116.82 1169.82 1185.48 1219.49 1236.19 1240.48 1268.58 1289.30 1343.07 1347.07 1364.00 1369.54 1373.82 1392.15 1436.09 1466.61 1489.73 1496.86 1505.96 1507.93 1531.89 1551.67 1572.09 1574.58 1585.55 1593.09 1599.21 1618.23 1622.03 1634.94 1635.35 1640.61 1676.10 1686.74 1705.48 1714.10 1715.04 1744.50 1753.28 1775.78 1780.65 1807.92 1828.57 1830.56 1843.06 1864.04 1866.77 1870.68 1892.16 1908.35 1926.92 1939.99 1957.99 1996.00 2010.22 2018.76 2072.92 2082.69 2097.72 2104.25 2127.48 2134.67 2177.18 2204.41 2214.64 2227.93 2234.83 2250.37 2258.51 2259.25 2277.91 2287.21 2301.35 2324.36 2327.92 2336.61 2338.68 2344.03 2349.27 2358.03 2368.86 2374.02 2379.06 2380.97 2383.97 2397.50 2402.03 2408.97 2410.68 2456.72 2560.94 2562.56 2586.03 2598.10 2598.78 3497.50 4587.04 4605.36 4617.15 4635.41 4645.39 4648.54 4670.81 4678.43 4688.75 4722.32 4736.33 4739.28 4746.03 4751.77 4754.36 4770.48 4777.93 4827.15 4840.27 4855.02 4870.04 4882.75 4887.44 4889.99 4904.01 4907.69 4908.32 4913.38 5264.60 5306.63 5840.93 0.574001 0.605061 0.606005 0.506029 -1849.153872 -1849.122812 -1849.121868 -1849.221844 3.353211D-04 MUNgauss RevisionA2.0 retrievium 18-Dec-2020 DUDE Cc1c(c(n(n1)c2ccccc2)Oc3ccc(cc3)Cl)C[NH+](C[C@@H](COCC#C)O)C(C)C C36303721 RHF 6-31G(d) (6D,10F) C1 468.205395 |X|Y|Z| 73.604573 85.305411 61.484309 72.814056 18 6 7 8 15 2 1 |36.858105| |12.704706|36.858105| |7.234459|13.377913|36.858105| |5.196026|8.683679|13.901268|36.858105| |5.354227|8.974914|8.687883|14.262039|53.358707| |7.833450|14.703598|8.507873|8.640141|19.268427|53.358707| |3.956397|5.482966|5.298457|7.617999|18.144893|10.794775|36.858105| |3.627397|4.626179|4.199741|5.273986|10.713758|8.942655|13.744266|36.858105| |2.889778|3.477393|3.256556|3.956957|7.031505|6.118702|7.973120|13.770442|36.858105| |2.570570|3.083082|3.003961|3.698301|6.189483|5.197852|6.901278|7.929325|13.740180|36.858105| |2.683332|3.305646|3.341449|4.290857|7.002969|5.504578|7.975145|6.866981|7.943615|13.759122|36.858105| |3.243169|4.244858|4.388659|6.158091|10.619824|7.296717|13.759920|7.899286|6.863292|7.926057|13.749445|36.858105| |3.845124|5.424707|7.811407|14.229646|11.018512|7.446144|6.395015|4.551361|3.693451|3.661317|4.437766|6.235931|73.516695| |3.268733|4.308535|5.688870|8.041349|8.045474|5.944153|5.287491|4.190204|3.534164|3.492533|4.054738|5.142534|24.535970|36.858105| |2.736294|3.399278|4.353955|5.371711|5.735277|4.578374|3.932296|3.267778|2.910296|2.967926|3.437496|4.072555|14.474258|13.764806|36.858105| |2.376397|2.844948|3.455774|4.032689|4.627900|3.854120|3.281525|2.888241|2.649626|2.692610|3.001159|3.358284|9.361665|7.964531|13.779923|36.858105| |2.355775|2.800151|3.286729|3.809597|4.569381|3.853081|3.297691|3.025746|2.787795|2.766278|2.968328|3.254844|8.196947|6.918213|7.960178|13.750162|36.858105| |2.667939|3.243331|3.755402|4.479780|5.505599|4.562962|3.981847|3.712114|3.321718|3.177969|3.341640|3.730794|9.207836|7.976598|6.877346|7.932059|13.787983|36.858105| |3.213451|4.154177|5.007864|6.601709|7.751067|5.940202|5.364462|4.653583|3.890459|3.665277|3.983585|4.802688|13.927101|13.785013|7.914646|6.853663|7.938697|13.725974|36.858105| |1.975966|2.262397|2.557799|2.839162|3.536681|3.107543|2.591240|2.471323|2.350972|2.337271|2.437029|2.567681|5.771485|4.242578|4.772307|7.038627|10.969658|7.046766|4.765805|448.794386| |5.761474|7.231080|12.788135|7.453692|7.133994|7.041653|3.816670|3.178455|2.615077|2.475998|2.746590|3.425184|10.946027|4.956024|4.245463|3.413378|3.145117|3.398976|4.217785|20.036966|36.858105| |5.244284|5.687090|7.570334|5.270370|5.635121|5.783688|3.193924|2.816567|2.353954|2.199530|2.367782|2.839890|8.168966|4.230106|3.749459|3.227482|3.081367|3.325809|3.905283|20.210542|12.585192|53.358707| |6.437351|6.310982|7.237074|4.934109|5.632578|6.164214|3.178620|2.868097|2.378682|2.186747|2.317614|2.762195|7.280545|3.760008|3.272227|2.870634|2.813715|3.100639|3.626129|18.785769|9.278103|25.703711|0.500000| |4.197108|4.760882|6.162578|5.059477|5.452882|5.318882|3.200590|2.875146|2.416866|2.248303|2.395858|2.837881|8.360628|4.849422|4.293406|3.834857|3.784678|4.136671|4.727216|24.392790|7.540998|17.197695|0.262664|36.858105| |4.413586|4.835082|5.439623|4.628329|5.468850|5.575899|3.256744|3.066574|2.551959|2.304015|2.383567|2.783186|7.259252|4.274865|3.637818|3.379662|3.569437|4.150926|4.658643|23.699324|5.475875|10.433477|0.226327|12.488686|36.858105| |5.033860|5.907901|6.395196|5.567695|6.766139|6.949935|3.905027|3.693944|2.968880|2.620374|2.695202|3.198174|8.210969|4.756932|3.798427|3.449591|3.690081|4.533168|5.429511|23.861123|5.577423|9.096394|0.202707|8.846318|17.575770|0.500000| |3.311867|3.584252|3.931492|3.664538|4.489643|4.441355|2.854671|2.769304|2.382631|2.162768|2.204300|2.496109|6.138467|3.855535|3.431833|3.415969|3.814301|4.405042|4.436585|26.625194|3.934432|6.771380|0.139276|7.538038|12.534580|0.248653|36.858105| |3.215260|3.362572|3.446619|3.242261|4.199284|4.285578|2.732644|2.756829|2.388295|2.127743|2.118202|2.359141|5.310102|3.253092|2.872214|2.865720|3.236492|3.800857|3.815430|23.438327|3.307818|5.430691|0.118071|5.159762|8.237081|0.207216|13.685157|73.516695| |2.607177|2.711015|2.775785|2.684404|3.519905|3.541835|2.375101|2.429003|2.171073|1.953770|1.926638|2.096901|4.530919|2.812750|2.564994|2.645763|3.042033|3.471218|3.293712|23.398395|2.690217|4.271817|0.090668|3.910032|5.245863|0.135690|8.068973|24.086940|36.858105| |2.472588|2.511152|2.482360|2.403984|3.248203|3.335488|2.227215|2.334202|2.111145|1.881233|1.825085|1.960578|4.007332|2.429842|2.208223|2.253925|2.557969|2.914884|2.817956|19.848163|2.367962|3.669038|0.079389|3.159518|4.112019|0.112064|5.255856|14.463338|13.000495|36.858105| |2.314665|2.315680|2.246544|2.180695|2.996770|3.110600|2.081102|2.211389|2.025070|1.799365|1.728204|1.837109|3.621951|2.164892|1.972004|2.002247|2.248155|2.542673|2.481819|17.549679|2.130270|3.242676|0.070567|2.697289|3.396307|0.094484|4.018232|9.972309|7.187991|16.074416|36.858105| |4.717621|4.568151|4.715006|3.839348|4.729735|5.121845|2.845687|2.721973|2.293264|2.069579|2.124398|2.449382|5.928294|3.333625|2.924855|2.726112|2.828040|3.184887|3.515267|19.565806|4.927551|9.850666|0.258526|8.153559|13.572826|0.258944|7.927577|12.519398|4.760456|4.018832|3.420263|73.516695| |4.081109|4.084943|4.923100|3.819553|4.299024|4.414161|2.572552|2.306179|1.986879|1.884775|2.023563|2.364156|6.302759|3.330977|3.155829|2.806527|2.645488|2.742159|3.064148|18.069260|7.460966|16.986034|0.261577|7.566012|5.293582|0.125483|4.033462|5.924172|2.758373|2.399085|2.145033|9.958688|36.858105| |3.269260|3.427346|4.251094|3.559769|3.948171|3.884188|2.426422|2.150351|1.883609|1.822982|1.983414|2.302986|6.296260|3.372288|3.388877|3.008810|2.727632|2.715545|2.983557|18.665446|6.297756|10.266148|0.158326|6.045333|4.185916|0.102503|3.480966|5.085257|2.458732|2.133274|1.913892|7.235986|12.501261|36.858105| |4.316149|3.961329|4.386984|3.388292|3.985917|4.252405|2.403574|2.171766|1.880895|1.783852|1.907293|2.213322|5.452995|2.799168|2.633604|2.346283|2.224251|2.318851|2.594725|15.440453|6.080997|10.323684|0.208841|4.975822|4.105512|0.103480|3.227144|5.055951|2.397091|2.161197|1.976154|8.266029|12.486553|7.491659|36.858105| |17.539900|8.871867|6.479246|4.646853|6.200172|8.142216|3.479868|3.136011|2.576204|2.353323|2.491413|2.988680|6.400898|3.032059|2.611692|2.261814|2.203164|2.436505|2.893316|14.942055|5.905539|7.093362|0.172337|3.934921|3.891994|0.116785|2.980372|5.056646|2.353098|2.224037|2.087473|7.495758|4.327306|3.463840|4.946174|0.500000| |17.622571|8.983383|5.482240|4.453352|6.758889|10.259532|3.900525|3.729047|2.990000|2.620849|2.681682|3.177519|6.039006|2.929778|2.468996|2.172540|2.173494|2.466384|2.931218|14.829865|4.399486|5.519044|0.132572|3.452689|3.716926|0.118153|2.941592|5.239384|2.443438|2.375527|2.264949|7.030949|3.322062|2.758842|3.527509|0.301484|0.500000| |17.528397|8.849598|6.286903|4.598580|6.237307|8.330268|3.508952|3.313052|2.679508|2.374127|2.446061|2.898947|6.296962|3.149033|2.661901|2.356494|2.368077|2.688255|3.173232|16.105397|5.475283|7.783513|0.215394|4.634449|5.194140|0.161450|3.764581|6.595189|2.928237|2.774604|2.579560|10.782553|4.414585|3.376809|4.606221|0.300646|0.301910|0.500000| |3.996370|4.972669|4.262049|4.998996|9.883879|9.723943|8.928054|17.751897|8.891507|5.636258|4.951744|5.637774|7.348352|3.868561|3.035656|2.723518|2.896324|3.589524|4.422063|19.259558|3.210970|3.981750|0.084684|2.993781|3.321048|0.113705|2.979385|5.415977|2.649389|2.581402|2.456057|5.296800|2.375445|2.169253|2.244664|0.092839|0.116478|0.103039|0.500000| |2.667433|3.093022|2.862379|3.337505|5.702083|5.279043|5.665306|8.946791|17.730268|8.908079|5.647781|4.948003|5.534673|3.043847|2.564980|2.391198|2.551574|3.021833|3.402077|17.773873|2.349191|2.944227|0.061236|2.231264|2.394067|0.076758|2.271926|4.131683|2.142699|2.122084|2.062526|3.873564|1.845877|1.742396|1.755834|0.066048|0.077634|0.069795|0.214734|0.500000| |2.254621|2.630164|2.569669|3.068299|4.926103|4.295142|4.967705|5.644209|8.911913|17.730648|8.919408|5.642520|5.473994|2.996973|2.636055|2.448184|2.522705|2.835431|3.142628|17.613611|2.175753|2.667518|0.054128|2.007230|2.056841|0.064036|1.958847|3.446229|1.806787|1.752855|1.688871|3.314704|1.705935|1.659121|1.621036|0.057914|0.064063|0.058404|0.123972|0.214717|0.500000| |2.393941|2.884865|2.966682|3.706579|5.675916|4.610347|5.667394|4.949952|5.647151|8.914546|17.730769|8.943014|7.074802|3.681422|3.285766|2.896992|2.808923|3.047160|3.512790|18.825136|2.524704|2.970340|0.058885|2.201902|2.159473|0.066587|2.014043|3.422869|1.768651|1.673679|1.587337|3.443570|1.898999|1.889037|1.794601|0.062851|0.066158|0.060928|0.107522|0.124121|0.214869|0.500000| |3.216195|4.216964|4.616681|6.549585|9.711440|6.775366|8.906345|5.630528|4.950314|5.642374|8.909199|17.757620|12.941571|5.488265|4.481494|3.538134|3.275643|3.614923|4.645167|20.547780|3.699052|4.037114|0.078614|2.915221|2.759597|0.086422|2.452255|4.044849|2.019114|1.870239|1.744894|4.322122|2.487060|2.468753|2.324246|0.084501|0.085668|0.079410|0.124125|0.107498|0.124128|0.215494|0.500000| |2.655004|3.257564|4.194237|5.009941|5.323472|4.325480|3.625458|2.980987|2.679330|2.776643|3.272983|3.876027|13.392705|8.949765|17.738924|8.894410|5.647514|4.956204|5.648273|31.544072|4.274659|4.966649|0.087551|3.947907|3.264449|0.093293|3.022691|4.546185|2.291801|1.997916|1.800742|4.829897|3.172398|3.537101|2.677643|0.071927|0.066445|0.070947|0.076676|0.065655|0.069027|0.089016|0.123940|0.500000| |2.133673|2.496703|2.985250|3.373947|3.938590|3.360205|2.809784|2.502674|2.336461|2.399646|2.664843|2.917420|7.570869|5.657927|8.924542|17.751520|8.918730|5.648102|4.944645|53.741905|3.030774|3.939171|0.071604|3.360018|2.947018|0.081940|3.005205|4.533090|2.397686|2.059613|1.842493|4.351511|2.612029|2.869491|2.202172|0.057124|0.054444|0.058837|0.065751|0.059184|0.061602|0.072923|0.086058|0.213940|0.500000| |2.540196|3.014789|3.341097|3.857697|4.990101|4.288408|3.683179|3.636044|3.313460|3.095626|3.124217|3.381328|7.427882|5.665924|4.956789|5.647319|8.933920|17.747345|8.920217|53.821004|3.010303|4.108267|0.080166|3.729243|3.980847|0.121321|4.451755|7.200866|3.830730|3.231615|2.807073|5.526255|2.518654|2.451523|2.160285|0.063935|0.066157|0.071915|0.100125|0.086090|0.077745|0.078746|0.088711|0.107624|0.124283|0.500000| |3.580106|4.738425|5.356044|7.122416|9.424994|7.144105|6.518003|5.888458|4.591889|4.062190|4.253622|5.204156|12.509556|8.885472|5.630493|4.945824|5.656136|8.932005|17.759814|31.622577|4.191343|5.292029|0.104288|4.565594|4.866857|0.170446|4.497960|7.241032|3.437093|3.007221|2.665503|6.597541|2.998610|2.821323|2.594828|0.086806|0.091774|0.097965|0.160163|0.110677|0.094505|0.100113|0.131611|0.124144|0.107451|0.215788|0.500000| |4.394822|5.479547|8.968300|7.086642|6.548934|5.987193|3.684134|3.028193|2.542463|2.461921|2.779352|3.456273|12.444342|5.653452|5.111785|3.932966|3.454845|3.603853|4.443185|21.589808|17.663053|12.340923|0.181524|7.025292|4.840255|0.134150|3.733619|5.477952|2.568549|2.239861|2.010425|7.439326|6.656222|6.875175|5.173953|0.124697|0.099390|0.116615|0.082934|0.063134|0.060346|0.072035|0.106700|0.149321|0.097219|0.086261|0.116021|0.500000| |5.905971|6.563457|8.959890|5.833580|6.188598|6.423129|3.429884|2.893096|2.418686|2.306530|2.554533|3.137284|8.752758|3.977654|3.541319|2.916067|2.686604|2.860194|3.442870|17.627828|17.654829|12.423279|0.218969|5.580916|4.403892|0.123290|3.313393|5.128457|2.394880|2.151293|1.963098|7.635164|7.285807|6.150247|7.173166|0.189434|0.125208|0.149909|0.081111|0.060747|0.056773|0.065916|0.094663|0.101760|0.073696|0.071600|0.095955|0.302500|0.500000| |3.894551|4.722551|6.567378|5.942812|6.021606|5.495588|3.541455|3.098172|2.599224|2.445419|2.648220|3.179522|10.585839|6.526339|5.668545|4.849645|4.656898|5.079652|6.038436|28.081853|7.584288|12.222047|0.189523|17.674974|8.789438|0.217976|6.548436|8.197957|3.645835|2.958611|2.540501|10.331430|5.955148|5.539472|4.208134|0.101238|0.090674|0.113533|0.087592|0.065745|0.060238|0.067588|0.091751|0.139485|0.113495|0.120161|0.151511|0.224894|0.149486|0.500000| |3.493963|3.784624|4.647302|3.994186|4.461076|4.359482|2.726872|2.485654|2.141654|2.014052|2.137555|2.477581|6.908151|4.099117|3.889976|3.636633|3.571865|3.721388|3.990943|24.038162|5.781185|12.351190|0.199256|17.661206|8.875693|0.174437|7.146129|8.611238|3.863610|3.080231|2.621524|12.550698|7.819838|6.680333|4.894124|0.093513|0.082020|0.107114|0.071484|0.055462|0.050588|0.055293|0.070930|0.101166|0.091481|0.094445|0.104866|0.159569|0.130551|0.301829|0.500000| |3.060443|3.440098|3.869229|3.812656|4.632626|4.394973|3.007228|2.904315|2.515408|2.299258|2.350723|2.654331|6.650299|4.440182|3.959724|4.077198|4.799107|5.702778|5.388099|32.742459|3.794708|6.104900|0.120279|6.777649|8.818912|0.215012|17.515795|16.470423|7.110169|4.747917|3.699579|10.127186|3.639875|3.311902|2.920754|0.076783|0.076268|0.093195|0.085352|0.066241|0.057780|0.059674|0.072297|0.093545|0.097247|0.161194|0.145539|0.103847|0.087842|0.190466|0.176371|0.500000| |2.969017|3.129958|3.451633|3.185118|3.878553|3.847000|2.491891|2.403757|2.104746|1.939352|1.986080|2.228693|5.449940|3.390941|3.160254|3.195970|3.483587|3.786867|3.725268|25.292952|3.634287|6.421720|0.129369|6.928517|8.850808|0.174373|17.504418|16.532016|7.246830|4.807656|3.736023|12.655881|4.147471|3.628252|3.268478|0.076296|0.073405|0.093430|0.070931|0.055922|0.049253|0.051040|0.061531|0.078993|0.080363|0.105061|0.101880|0.097437|0.086976|0.161828|0.216606|0.299482|0.500000| |2.452429|2.613668|2.713664|2.701554|3.542379|3.477403|2.434212|2.496300|2.254143|2.037753|2.004650|2.165598|4.657433|2.971323|2.725631|2.882395|3.434322|3.955138|3.575274|27.049327|2.605919|4.027518|0.083575|3.723935|4.745400|0.127054|7.210669|16.526527|17.544561|9.077028|5.986014|7.227036|2.588904|2.367210|2.238604|0.061632|0.064059|0.074831|0.074775|0.061796|0.052471|0.051170|0.057718|0.066659|0.072179|0.126364|0.102242|0.070348|0.064047|0.100779|0.101717|0.211802|0.176099|0.500000| |2.421925|2.488164|2.577768|2.466499|3.189874|3.207500|2.147423|2.166682|1.951654|1.781137|1.771480|1.925007|4.211413|2.602923|2.432667|2.526645|2.852823|3.130043|2.955352|22.399040|2.573663|4.152955|0.087259|3.786402|4.801573|0.117999|7.264187|16.518066|17.541457|9.079356|5.989808|8.074992|2.776910|2.493619|2.401991|0.061813|0.062730|0.075516|0.064799|0.053331|0.045985|0.045594|0.052059|0.061097|0.064673|0.093570|0.083594|0.068801|0.064210|0.096633|0.108974|0.173835|0.218719|0.301236|0.500000| |2.162567|2.141973|2.055384|1.999638|2.776914|2.899921|1.947736|2.086346|1.932487|1.717849|1.639026|1.727461|3.319385|1.964272|1.795572|1.816937|2.022087|2.269156|2.228288|15.850531|1.944658|2.920654|0.063635|2.375042|2.913072|0.081807|3.306801|7.707092|5.137530|8.493306|18.008562|5.286635|1.950610|1.748436|1.825380|0.054429|0.059585|0.066391|0.064349|0.055201|0.045088|0.041923|0.045484|0.045879|0.046713|0.069177|0.066551|0.050979|0.050313|0.062455|0.064087|0.085634|0.086334|0.126112|0.126182|0.500000| |4.346694|4.124824|4.055190|3.442292|4.411430|4.828153|2.722762|2.676312|2.271768|2.029638|2.051597|2.332574|5.339729|3.032456|2.663979|2.524487|2.668105|3.031620|3.282832|18.834524|4.039513|7.277391|0.182181|5.994944|9.852337|0.224819|7.644060|14.894644|5.446718|4.756404|4.021787|35.569778|4.404681|3.389859|3.873940|0.106179|0.105929|0.155550|0.082651|0.060757|0.051047|0.051856|0.063473|0.068420|0.063180|0.084375|0.097955|0.097437|0.100263|0.131047|0.150801|0.151164|0.186992|0.122763|0.140879|0.095776|0.500000| |3.681103|3.616303|4.167685|3.366663|3.898282|4.018263|2.379699|2.178722|1.891088|1.783947|1.890760|2.177745|5.596487|3.068124|2.923611|2.686329|2.590017|2.684498|2.920170|18.074381|5.583641|12.575349|0.228203|7.512663|5.646876|0.125937|4.457031|6.488276|3.020681|2.596124|2.300382|11.331644|17.629431|8.880348|8.975122|0.105146|0.085281|0.114719|0.062915|0.049286|0.045111|0.049272|0.062766|0.080107|0.069765|0.069596|0.079612|0.141804|0.146601|0.154762|0.248654|0.107637|0.133975|0.077368|0.086316|0.057697|0.137657|0.500000| |3.307616|3.524212|4.444243|3.743259|4.106109|4.001372|2.517831|2.194600|1.923780|1.880196|2.072857|2.425414|6.696437|3.446469|3.480826|2.999903|2.662786|2.644769|2.955512|18.032808|6.748975|8.982732|0.142364|5.114885|3.699227|0.094769|3.076671|4.595574|2.235915|1.967414|1.781799|6.327426|8.754618|17.588023|6.851319|0.099441|0.077684|0.091626|0.060793|0.049075|0.047434|0.055142|0.073514|0.104482|0.079685|0.065787|0.077560|0.218852|0.197226|0.139020|0.144377|0.082884|0.086695|0.060351|0.062223|0.045537|0.083950|0.173095|0.500000| |2.861483|2.916741|3.449961|2.962914|3.396579|3.372232|2.133548|1.918569|1.702183|1.651916|1.784234|2.038782|5.252274|2.850024|2.901217|2.650710|2.426593|2.393749|2.572141|17.095789|4.698742|7.530480|0.127997|4.731671|3.563911|0.087339|3.093187|4.623704|2.284650|2.001436|1.808057|6.375859|8.942280|17.588845|6.813845|0.084675|0.068494|0.082562|0.053847|0.044085|0.042119|0.047506|0.060361|0.084140|0.071560|0.060880|0.067908|0.137981|0.132605|0.120099|0.150118|0.081361|0.091607|0.060883|0.065277|0.046125|0.085152|0.217557|0.302998|0.500000| |3.036752|3.285302|4.148778|3.630710|3.977614|3.812002|2.470863|2.189196|1.923999|1.867875|2.034842|2.356778|6.677972|3.738951|3.882426|3.490512|3.119291|3.038756|3.284343|21.173008|5.828436|9.444250|0.144062|6.726112|4.417986|0.106714|3.805043|5.375231|2.614468|2.224174|1.974482|7.183043|8.726271|17.572977|5.450738|0.086687|0.072002|0.087305|0.061057|0.049376|0.047238|0.053896|0.070121|0.111735|0.092774|0.075195|0.084042|0.190153|0.144999|0.181714|0.222110|0.103180|0.111458|0.070849|0.073917|0.049763|0.093954|0.209217|0.300519|0.302954|0.500000| |4.416692|4.107902|4.579692|3.528923|4.135994|4.400797|2.485457|2.212679|1.917049|1.833225|1.981116|2.314265|5.675274|2.825666|2.660611|2.329807|2.178532|2.264480|2.564433|15.015408|6.433427|8.964241|0.175482|4.391359|3.631276|0.095243|2.888071|4.564687|2.185119|1.986875|1.830299|6.974999|8.702935|6.826093|17.593251|0.148138|0.100468|0.122946|0.062838|0.049381|0.046186|0.051979|0.068392|0.076504|0.060848|0.058190|0.071168|0.153055|0.243807|0.109234|0.116344|0.074394|0.079840|0.057420|0.060248|0.047262|0.093029|0.173586|0.204275|0.168971|0.139486|0.500000| |4.989822|4.232235|4.383650|3.343616|4.051928|4.477820|2.433904|2.231600|1.921552|1.799857|1.902733|2.202675|5.224754|2.684675|2.474861|2.219801|2.143618|2.273169|2.549536|14.944693|5.560399|9.575468|0.229800|4.768554|4.277667|0.109009|3.305057|5.331028|2.497702|2.283584|2.099732|9.264019|8.759818|5.460550|17.556174|0.160140|0.111972|0.155846|0.065038|0.050121|0.045392|0.049362|0.063333|0.068809|0.057465|0.059577|0.072284|0.125804|0.176995|0.110042|0.126387|0.081443|0.091728|0.063906|0.069040|0.053992|0.121567|0.212952|0.140093|0.139581|0.122143|0.299839|0.500000| 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