Version2.2 2021-02-04T19:28:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 03-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1cc2c(cc1OC)CN(CC2)C(=O)[C@@H](CCCCNC(=O)NC3CCCCC3)[NH3+] C04198642 RHF 6-31G(d) (6D,7F) COc1cc2c(cc1OC)CN(CC2)C(=O)[C@@H](CCCCNC(=O)NC3CCCCC3)[NH3+] C01[X(C24H39N4O4)] 207 C1 558 COc1cc2CN(CCc2cc1OC)C(=O)[C@@H](CCCCNC(=O)NC1CCCCC1)[NH3+] COc1cc2CN(CCc2cc1OC)C(=O)[C@@H](CCCCNC(=O)NC1CCCCC1)[NH3+] COc1cc2CCN(Cc2cc1OC)C(=O)[C@H]([NH3+])CCCCNC(=O)NC3CCCCC3 InChIKey=GOQFSMLAKASOET-HXUWFJFHSA-O InChI=1S/C24H38N4O4/c1-31-21-14-17-11-13-28(16-18(17)15-22(21)32-2)23(29)20(25)10-6-7-12-26-24(30)27-19-8-4-3-5-9-19/h14-15,19-20H,3-13,16,25H2,1-2H3,(H2,26,27,30)/p+1/t20-/m1/s1 InChI=1/C24H38N4O4/c1-31-21-14-17-11-13-28(16-18(17)15-22(21)32-2)23(29)20(25)10-6-7-12-26-24(30)27-19-8-4-3-5-9-19/h14-15,19-20H,3-13,16,25H2,1-2H3,(H2,26,27,30)/p+1/t20-/m1/s1/fC24H39N4O4/h25-27H/q+1 COc1cc2c(cc1OC)CN(CC2)C(=O)[C@@H](CCCCNC(=O)NC3CCCCC3)[NH3+] C01[X(C24H39N4O4)] 207 C01 558 COc1cc2CN(CCc2cc1OC)C(=O)[C@@H](CCCCNC(=O)NC1CCCCC1)[NH3+] CO[C]1[CH][C]2[C]([CH][C]1OC)CC[N]([C](=O)[C@@H](CCCCN[C]([NH]C1CCCCC1)[O])[NH3])C2 CO[C]1[CH][C]2CCN(C[C]2[CH][C]1OC)C(=O)[C@H]([NH3])CCCCN[C]([O])NC3CCCCC3 InChIKey=LJNYANSMXWHKHS-HXUWFJFHSA-N InChI=1S/C24H39N4O4/c1-31-21-14-17-11-13-28(16-18(17)15-22(21)32-2)23(29)20(25)10-6-7-12-26-24(30)27-19-8-4-3-5-9-19/h14-15,19-20H,3-13,16H2,1-2,25H3,(H2,26,27,30)/t20-/m1/s1 InChI=1/C24H39N4O4/c1-31-21-14-17-11-13-28(16-18(17)15-22(21)32-2)23(29)20(25)10-6-7-12-26-24(30)27-19-8-4-3-5-9-19/h14-15,19-20H,3-13,16H2,1-2,25H3,(H2,26,27,30)/t20-/m1/s1/f/h26-27H 3266.6373575360 -1448.6488123 1-A 26620.1380 121 437 558 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.65642 -20.65388 -20.64954 -20.63617 -15.80783 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6.0756 6.2389 7.8791 4.9628 26.0299 1.4594 4.1235 11.4950 35.7674 35.6948 10.2786 3.4196 14.4451 34.9584 86.6225 8.2616 189.6097 19.5991 14.8036 160.6445 92.5279 138.4066 28.9230 20.0770 72.2840 90.2247 112.5611 68.8789 49.2966 120.1430 165.7823 118.0696 124.2131 47.2248 41.7090 13.8893 41.6527 31.9330 91.8471 95.8391 35.8118 82.7590 125.6014 159.8236 171.8547 65.1414 48.5994 73.3092 22.3746 31.6991 8.9195 104.6297 0.7256 0.7207 0.6870 0.7492 0.7417 0.7179 0.6910 0.7483 0.7431 0.7401 0.7491 0.5667 0.7266 0.7205 0.7371 0.7438 0.7489 0.5947 0.7311 0.4889 0.3095 0.6855 0.2340 0.2416 0.1145 0.2799 0.6138 0.7318 0.5039 0.4291 0.1605 0.1471 0.0547 0.5863 0.6838 0.5228 0.4122 0.7415 0.5383 0.5267 0.7498 0.7455 0.5691 0.7304 0.2299 0.7273 0.7354 0.7494 0.0648 0.6294 0.2741 0.7351 0.5293 0.5866 0.5074 0.7383 0.0777 0.5335 0.6893 0.0660 0.7064 0.1170 0.0879 0.3455 0.7471 0.7029 0.4342 0.1117 0.5928 0.1923 0.7262 0.7284 0.0996 0.7044 0.3130 0.6986 0.6329 0.6109 0.7361 0.3655 0.7279 0.3712 0.1194 0.7498 0.4753 0.5241 0.6739 0.3350 0.4084 0.7410 0.4918 0.7494 0.2368 0.7499 0.5433 0.6247 0.1116 0.1163 0.1301 0.0407 0.7218 0.7500 0.7498 0.5274 0.6542 0.6332 0.2801 0.7394 0.6618 0.0931 0.3325 0.6222 0.7232 0.7288 0.7374 0.6422 0.5405 0.7170 0.7435 0.7103 0.7499 0.3565 0.7457 0.7465 0.5366 0.7409 0.7360 0.1439 0.6097 0.6543 0.5702 0.5074 0.7498 0.2133 0.6990 0.7460 0.6967 0.7479 0.7453 0.7495 0.7249 0.7252 0.7296 0.6129 0.7212 0.6772 0.4835 0.6897 0.7152 0.7467 0.7445 0.7272 0.6553 0.7341 0.6066 0.3381 0.7499 0.6771 0.3370 0.1515 0.5569 0.7500 0.3071 0.7302 0.7401 0.3250 0.3495 0.3531 0.2229 0.3339 0.5039 0.2001 0.4380 0.4995 0.0593 0.0264 0.1325 0.2315 0.4895 0.6011 0.1476 0.0820 0.5809 0.7076 0.4479 0.2517 0.3348 0.2428 0.6404 0.7247 0.4895 0.7396 0.0647 0.4668 0.4334 0.7362 0.1322 0.4637 0.4439 0.2675 0.4264 0.2551 0.2688 0.1867 0.5981 0.1937 0.2356 0.8410 0.8377 0.8144 0.8567 0.8517 0.8358 0.8173 0.8560 0.8526 0.8506 0.8566 0.7234 0.8417 0.8375 0.8486 0.8531 0.8564 0.7458 0.8446 0.6567 0.4727 0.8134 0.3793 0.3891 0.2054 0.4374 0.7607 0.8451 0.6702 0.6005 0.2766 0.2565 0.1037 0.7392 0.8122 0.6866 0.5837 0.8516 0.6999 0.6900 0.8570 0.8542 0.7254 0.8442 0.3739 0.8421 0.8475 0.8567 0.1217 0.7725 0.4303 0.8473 0.6922 0.7394 0.6732 0.8495 0.1442 0.6958 0.8161 0.1238 0.8280 0.2095 0.1615 0.5136 0.8552 0.8255 0.6055 0.2009 0.7443 0.3225 0.8414 0.8428 0.1812 0.8266 0.4768 0.8225 0.7752 0.7585 0.8480 0.5353 0.8425 0.5415 0.2133 0.8570 0.6443 0.6877 0.8052 0.5018 0.5800 0.8512 0.6593 0.8568 0.3829 0.8571 0.7041 0.7690 0.2008 0.2084 0.2302 0.0781 0.8384 0.8571 0.8570 0.6906 0.7910 0.7754 0.4377 0.8502 0.7965 0.1703 0.4990 0.7671 0.8394 0.8431 0.8489 0.7821 0.7017 0.8352 0.8529 0.8306 0.8570 0.5256 0.8543 0.8549 0.6984 0.8511 0.8480 0.2515 0.7576 0.7910 0.7263 0.6732 0.8570 0.3516 0.8228 0.8545 0.8213 0.8557 0.8540 0.8568 0.8405 0.8407 0.8436 0.7600 0.8380 0.8075 0.6519 0.8163 0.8339 0.8550 0.8536 0.8420 0.7917 0.8467 0.7551 0.5053 0.8571 0.8075 0.5041 0.2632 0.7154 0.8571 0.4699 0.8440 0.8506 0.4906 0.5180 0.5219 0.3646 0.5007 0.6701 0.3334 0.6091 0.6662 0.1119 0.0514 0.2339 0.3759 0.6572 0.7508 0.2572 0.1516 0.7349 0.8288 0.6187 0.4021 0.5016 0.3908 0.7808 0.8404 0.6573 0.8503 0.1215 0.6365 0.6047 0.8481 0.2335 0.6336 0.6149 0.4221 0.5979 0.4065 0.4237 0.3146 0.7485 0.3245 0.3813 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 6 8 6 6 6 6 6 6 8 6 6 7 6 6 6 8 6 1 6 6 6 6 7 6 8 7 6 6 6 6 6 6 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 6374.6187 42868.5857 45785.8742 0.99999 0.00215 -0.00286 -0.00214 1.00000 0.00188 0.00286 -0.00187 0.99999 1 0.01359 0.00202 0.00189 0.28311 0.04210 0.03942 12.06 18.83 30.39 34.24 50.57 63.03 80.59 95.68 103.94 110.20 130.34 140.11 153.64 188.00 209.22 237.66 250.43 259.18 270.53 285.66 304.42 344.79 352.90 366.41 382.75 392.42 411.89 430.50 450.53 463.60 486.52 494.83 509.26 521.15 528.00 550.62 571.08 581.41 619.58 637.61 643.87 655.31 685.08 695.81 708.49 735.83 739.49 782.88 787.71 807.02 855.37 867.04 949.08 958.80 1011.77 1031.84 1093.46 1132.46 1143.70 1147.16 1173.04 1181.94 1237.91 1242.83 1246.68 1251.56 1281.81 1313.66 1318.66 1355.34 1383.48 1391.58 1409.49 1416.63 1434.63 1452.90 1468.19 1476.50 1511.90 1538.11 1554.51 1566.50 1584.73 1601.09 1612.45 1632.43 1646.85 1651.65 1662.74 1687.75 1691.33 1698.30 1712.16 1728.70 1742.21 1762.00 1786.37 1790.93 1816.42 1846.97 1858.04 1861.09 1861.81 1887.08 1905.06 1913.79 1917.41 1919.62 1940.02 1947.89 1960.46 1973.62 1997.18 2011.23 2015.22 2018.39 2030.87 2038.12 2047.13 2067.19 2085.98 2102.03 2108.93 2114.25 2125.33 2133.54 2166.41 2169.59 2180.57 2193.97 2199.43 2199.67 2205.84 2214.78 2230.20 2232.70 2235.06 2259.05 2282.20 2344.18 2345.61 2347.87 2353.14 2356.39 2357.98 2359.53 2363.52 2367.77 2372.73 2375.69 2376.09 2383.33 2384.36 2385.06 2385.39 2386.96 2388.13 2406.40 2420.56 2460.15 2479.41 2526.41 2584.23 2607.41 2608.99 2650.88 2670.48 2731.07 4570.20 4581.73 4592.90 4596.32 4603.45 4610.49 4611.09 4620.17 4622.51 4638.54 4639.59 4645.22 4646.54 4651.31 4659.50 4667.61 4671.31 4678.51 4682.66 4684.34 4684.93 4699.92 4709.42 4712.78 4721.90 4728.62 4744.31 4753.19 4785.79 4807.83 4810.19 4831.62 4839.73 4863.63 4885.24 5292.77 5385.03 5554.12 5576.35 0.677494 0.708268 0.709212 0.611252 -1447.971318 -1447.940544 -1447.939600 -1448.037560 3.285594D-04 MUNgauss RevisionA2.1 retrievium 04-Feb-2021 DUDE COc1cc2c(cc1OC)CN(CC2)C(=O)[C@@H](CCCCNC(=O)NC3CCCCC3)[NH3+] C04198642 RHF 6-31G(d) (6D,10F) C1 447.297131 |X|Y|Z| 150.643202 52.487910 34.231353 64.686099 25 6 7 22 3 |36.858105| |13.591393|73.516695| |8.033249|25.321005|36.858105| |6.728910|14.074380|13.891318|36.858105| |4.497744|9.204726|7.857968|13.560104|36.858105| |3.792497|8.214988|6.833662|7.966204|13.881621|36.858105| |3.992478|9.447252|7.928316|6.921443|7.920988|13.554882|36.858105| |5.238881|14.536768|13.440889|7.918820|6.800736|7.875746|13.900422|36.858105| |4.798884|13.172532|8.164887|5.306260|4.603676|5.179890|7.911943|14.220737|73.516695| |3.553075|8.538369|5.239326|3.990908|3.781721|4.495772|6.724411|8.034501|24.202807|36.858105| |2.921136|6.007581|4.426322|5.010575|7.552235|12.559357|7.584454|5.031223|6.884275|3.688460|36.858105| |2.716813|5.323277|3.777528|4.549866|6.826245|7.768160|5.098791|3.920868|5.554111|2.929987|13.067437|53.358707| |2.899891|5.495110|3.870243|5.002311|7.580939|6.738758|4.512473|3.740060|5.281882|2.705344|7.829161|17.702679|36.858105| |3.680079|6.868118|5.014292|7.545332|12.564604|7.553692|4.999187|4.412696|5.991009|2.916027|6.436153|10.643419|12.502723|36.858105| |2.395516|4.617891|3.152393|3.674063|4.943857|5.379942|4.037890|3.259389|4.812322|2.582264|7.629380|19.497398|7.884735|5.704341|36.858105| |2.231040|4.189888|2.786149|3.269335|4.184476|4.209919|3.293990|2.793108|4.202806|2.242629|5.272992|11.524732|6.910111|5.181991|15.733297|73.516695| |2.210325|4.322457|2.900134|3.193203|4.031930|4.672611|3.872507|3.118604|4.750359|2.631515|6.404407|10.454267|4.969835|4.152973|12.391031|14.505077|36.858105| |2.152273|4.266649|2.862771|3.070829|3.845094|4.707525|4.049736|3.180067|4.898733|2.786900|6.848869|9.482853|4.556734|3.789005|8.659083|10.697307|17.653340|0.500000| |2.367003|4.660509|3.114077|3.365935|4.087050|4.658279|4.051014|3.348996|5.126786|2.811560|5.469592|7.976809|4.237072|3.992895|7.520616|10.524725|12.395418|0.243896|36.858105| |2.097081|4.127593|2.667432|2.762934|3.172420|3.608232|3.406112|2.915896|4.685305|2.656173|4.072136|5.548920|3.178395|3.037426|4.847664|7.428250|7.379802|0.187529|12.350338|36.858105| |1.890542|3.634031|2.290231|2.386064|2.668812|2.889647|2.723890|2.426896|3.960062|2.223399|3.167455|4.505621|2.734813|2.640180|3.978195|6.662340|5.369752|0.131702|7.379085|12.395288|36.858105| |1.671363|3.206673|1.987350|2.034783|2.236092|2.428373|2.349725|2.121021|3.545879|2.029802|2.650277|3.679897|2.285170|2.197170|3.134501|5.295914|4.060097|0.107472|4.846403|7.423541|12.350400|36.858105| |1.516540|2.879999|1.777166|1.835544|2.021550|2.171424|2.076456|1.878364|3.138291|1.793368|2.399682|3.401741|2.144247|2.028041|2.926195|5.100633|3.683860|0.097614|3.999593|5.277410|7.579925|13.069080|53.358707| |1.486559|2.824706|1.754517|1.824956|2.036852|2.201676|2.080837|1.859036|3.086385|1.768693|2.498465|3.581132|2.239018|2.065545|3.126617|5.475817|3.984233|0.107302|3.975594|4.934566|6.090710|7.732276|19.153567|36.858105| |1.586828|3.036963|1.910994|1.999246|2.273179|2.496523|2.330577|2.041418|3.351915|1.923998|2.922960|4.211698|2.555362|2.307556|3.770178|6.454959|5.121059|0.140086|4.787177|5.857110|6.384583|6.825025|11.515091|15.496912|73.516695| |1.351432|2.549128|1.570052|1.632469|1.807371|1.933512|1.831643|1.652651|2.760515|1.582129|2.178047|3.128579|2.003694|1.846301|2.682119|4.789551|3.236965|0.088045|3.146809|3.666877|4.315224|5.222978|11.308773|14.209111|15.054075|53.358707| |1.296279|2.439447|1.503972|1.570331|1.746565|1.866702|1.757432|1.580774|2.635136|1.511278|2.126889|3.075001|1.985670|1.800486|2.622118|4.726210|3.078934|0.085023|2.847398|3.148367|3.464399|3.864203|7.056016|7.697398|12.021801|17.737985|36.858105| |1.179449|2.213402|1.352020|1.400774|1.539224|1.639060|1.562096|1.420119|2.392143|1.378095|1.839695|2.620924|1.721083|1.576691|2.175526|3.903620|2.489476|0.069594|2.341782|2.581810|2.804391|3.178756|5.541919|5.191402|8.101238|10.621427|12.448765|36.858105| |1.125033|2.105232|1.284471|1.333724|1.465960|1.556109|1.479012|1.345702|2.266172|1.304848|1.750781|2.499439|1.660715|1.510056|2.051849|3.701283|2.288019|0.064404|2.108877|2.255871|2.380218|2.593733|4.267344|3.855926|6.515060|6.813062|7.535733|12.435027|36.858105| |1.124282|2.090804|1.276404|1.337013|1.472830|1.547001|1.454378|1.325282|2.217966|1.265818|1.740780|2.529421|1.700148|1.538506|2.089855|3.851889|2.277886|0.063032|2.078752|2.167504|2.297562|2.424260|3.952836|3.527534|6.063767|6.020841|6.433627|7.517069|12.444102|36.858105| |1.224184|2.278339|1.402000|1.482149|1.651434|1.734084|1.608157|1.453075|2.407663|1.366772|1.978091|2.930219|1.953767|1.744363|2.476271|4.635924|2.703709|0.073819|2.409080|2.472363|2.622023|2.691919|4.408792|4.081506|7.282932|6.765625|7.527540|6.442084|7.540398|12.443868|36.858105| |1.294873|2.416525|1.490668|1.575272|1.757626|1.850308|1.715889|1.547484|2.559453|1.451098|2.107966|3.129804|2.053199|1.848671|2.701627|5.050660|3.053087|0.081893|2.774105|2.920638|3.224772|3.364141|5.862817|5.784614|9.737723|10.452569|12.435933|7.543425|6.455030|7.532210|12.434810|36.858105| |1.906885|3.652650|2.377166|2.598706|3.137531|3.446199|2.970750|2.506517|3.929594|2.190674|4.373127|7.156580|3.973508|3.344181|7.931961|13.398078|12.737519|0.255527|7.632620|6.276616|5.555615|4.366465|5.868961|5.034225|12.330032|5.499872|3.897311|2.980974|2.710562|2.738462|3.398218|3.980187|53.358707| |1.813363|3.462833|2.245580|2.454332|2.962536|3.252173|2.805037|2.367814|3.727660|2.089066|4.203043|6.891766|3.925541|3.191811|7.194499|12.574454|9.162862|0.227218|5.642137|4.855872|4.363089|3.700473|5.151206|4.565295|11.019282|5.292259|3.994258|3.060878|2.864268|2.927077|3.710459|4.167197|25.705902|0.500000| |1.794583|3.442502|2.212231|2.370346|2.788263|3.075524|2.750187|2.351198|3.754260|2.119037|3.765486|5.747458|3.309716|2.893073|5.694069|9.608299|8.915288|0.214002|6.999047|7.075418|6.664271|5.415827|7.495401|6.849220|19.542575|6.862230|4.648990|3.411134|2.992272|2.954072|3.655104|4.508859|25.209177|0.323592|0.500000| |1.908468|3.606563|2.333655|2.588332|3.103338|3.277020|2.796317|2.406086|3.762185|2.066691|3.992204|6.828640|4.009827|3.421011|7.710675|15.823966|9.283420|0.182546|6.884336|5.487661|5.344296|4.106418|5.606986|4.646085|10.358336|5.231376|3.687804|2.845742|2.596266|2.687230|3.362220|3.963054|25.652366|0.329593|0.315074|0.500000| |17.662416|17.014634|5.901126|4.910020|3.608737|3.186563|3.421700|4.413295|7.797397|3.355623|2.543250|3.221332|2.493650|3.045747|2.120450|3.531489|1.987072|0.054045|2.128948|1.924500|1.751163|1.567309|1.939647|1.392616|2.625667|1.731251|1.219476|1.116475|1.065573|1.062630|1.150362|1.214851|2.363268|0.045977|0.045777|0.048197|0.500000| |17.564950|16.438006|7.060470|6.724124|4.567441|3.746780|3.805086|4.755321|7.542873|3.254644|2.918310|3.734840|3.022024|3.855589|2.390664|3.984084|2.166163|0.058656|2.268699|1.995155|1.801989|1.595958|1.989718|1.444440|2.748835|1.795831|1.274660|1.160435|1.113072|1.116623|1.217340|1.279712|2.555954|0.050038|0.048780|0.052305|0.299917|0.500000| |17.561637|16.434351|7.037413|6.719165|4.558249|3.738195|3.791647|4.733267|7.507603|3.228611|2.910488|3.780386|2.968139|3.852213|2.485563|4.156279|2.285942|0.060908|2.485427|2.186839|1.989641|1.742218|2.146314|1.537317|2.908495|1.897373|1.330830|1.206760|1.146900|1.149218|1.254945|1.334241|2.690574|0.051813|0.051617|0.055477|0.299931|0.298621|0.500000| |7.511049|12.617847|8.981424|17.750626|8.919200|5.679051|4.979801|5.630468|7.607012|3.330941|4.092093|5.413835|4.591381|7.080521|3.331724|5.484195|2.870241|0.075688|3.013760|2.502488|2.220653|1.902457|2.357901|1.719253|3.318615|2.109573|1.493605|1.337044|1.276370|1.286895|1.424768|1.510183|3.275962|0.063375|0.061077|0.067654|0.146577|0.224985|0.225698|0.500000| |3.331317|7.614724|5.633594|4.978471|5.654804|8.889576|17.733715|8.985675|12.618196|7.505744|7.112682|6.367466|3.961325|4.085348|3.852134|5.550339|3.907299|0.119034|4.034327|3.537360|2.773296|2.434402|2.917135|2.157078|4.320395|2.577389|1.817576|1.618729|1.530621|1.491444|1.642714|1.752280|4.090426|0.079260|0.078457|0.076890|0.082219|0.088353|0.088037|0.108003|0.500000| |3.354321|7.798313|4.411599|3.419734|3.178749|3.607673|4.907129|5.899305|17.020566|17.661025|3.051441|3.423784|2.357294|2.538917|2.257236|3.546165|2.304526|0.067344|2.463906|2.371762|2.029518|1.879746|2.271490|1.638521|3.135268|2.009975|1.410234|1.296625|1.229139|1.190654|1.276889|1.352572|2.669810|0.052110|0.053107|0.051695|0.091291|0.084880|0.084180|0.082192|0.146508|0.500000| |3.221348|7.484262|4.712252|3.773174|3.711756|4.542341|6.700833|7.008063|16.437831|17.549515|3.854632|4.143472|2.723236|2.896314|2.731965|4.176474|2.871473|0.085157|3.139148|3.025946|2.482021|2.265160|2.681830|1.931441|3.744663|2.328105|1.620047|1.471131|1.382222|1.333580|1.441631|1.542773|3.222078|0.062082|0.064181|0.061501|0.084083|0.081625|0.084150|0.087656|0.226456|0.300088|0.500000| |3.260991|7.574837|4.775729|3.819812|3.751014|4.573533|6.728842|7.087193|16.446043|17.558200|3.869972|4.095350|2.780936|2.922749|2.612749|4.014524|2.641482|0.078996|2.730917|2.561954|2.139670|1.962342|2.387284|1.751312|3.410255|2.142220|1.517884|1.385558|1.320633|1.281190|1.383675|1.458307|2.995920|0.059037|0.058851|0.057308|0.085008|0.085932|0.081945|0.088699|0.223765|0.299885|0.298599|0.500000| |2.724271|5.564364|3.983677|4.384605|6.095138|8.845841|6.517169|4.547784|6.469320|3.558715|17.534602|12.527198|6.935402|5.433605|6.038286|8.068181|5.192800|0.162269|4.312784|3.453728|2.768615|2.393148|3.003991|2.325539|4.820203|2.806199|2.046749|1.788482|1.724116|1.713454|1.936384|2.027798|5.280362|0.108440|0.094142|0.097933|0.066648|0.076889|0.073998|0.101968|0.181057|0.082507|0.100771|0.108154|0.500000| |2.697305|5.586736|3.995719|4.258736|5.749598|8.908180|7.103416|4.741120|6.798167|3.808957|17.655092|12.358447|5.658506|4.927352|7.208181|8.792986|7.599850|0.254551|6.573159|4.946508|3.607040|3.006291|3.634744|2.779872|5.879648|3.237581|2.297439|1.973676|1.857621|1.824222|2.070748|2.234021|6.593706|0.126089|0.118646|0.117334|0.066331|0.073433|0.074935|0.098168|0.211803|0.087245|0.115803|0.109865|0.304684|0.500000| |2.818383|5.364349|3.743416|4.674503|6.669798|6.297245|4.426934|3.674535|5.247683|2.714982|7.339506|12.546659|17.568721|8.824836|6.000639|9.419020|4.238788|0.114513|3.596201|2.830363|2.440441|2.091108|2.689188|2.075034|4.198416|2.555806|1.880887|1.647872|1.606010|1.640342|1.869666|1.935706|4.752396|0.098662|0.082564|0.095675|0.067802|0.083010|0.078158|0.118741|0.109712|0.065781|0.074690|0.079313|0.214591|0.146203|0.500000| |2.596063|4.798276|3.250347|4.086973|5.523270|4.933334|3.618639|3.113206|4.548235|2.353825|5.692414|12.460108|17.698185|8.781732|7.627914|14.498785|4.724182|0.116667|3.966284|3.020018|2.685730|2.248149|2.921342|2.256873|4.558411|2.773678|2.035022|1.757041|1.703196|1.766603|2.049973|2.144923|5.529147|0.113221|0.092812|0.118487|0.062875|0.075190|0.074650|0.109448|0.090703|0.057934|0.066075|0.066829|0.145371|0.127089|0.301611|0.500000| |3.553397|6.471888|4.543700|6.526823|8.872860|6.072671|4.365184|3.970761|5.547774|2.710767|5.385814|9.269360|8.886291|17.521338|5.767026|9.893522|4.244103|0.103152|4.273014|3.196782|2.836095|2.316037|2.900176|2.148411|4.235060|2.602041|1.846344|1.608979|1.530000|1.564410|1.780070|1.907288|4.728216|0.089928|0.083491|0.101757|0.082382|0.100742|0.107728|0.181921|0.101462|0.066346|0.075962|0.074005|0.123804|0.124158|0.174112|0.219047|0.500000| |3.789697|6.753132|4.705946|7.009892|8.874278|5.755362|4.249948|3.978057|5.564855|2.695632|4.945544|7.706921|8.898700|17.553170|4.441816|7.561485|3.391134|0.087594|3.257307|2.590546|2.304137|1.956798|2.484638|1.859359|3.651387|2.292446|1.653109|1.462494|1.410955|1.443121|1.625361|1.704950|3.892443|0.077094|0.069782|0.081633|0.086899|0.115435|0.109208|0.208095|0.098111|0.066279|0.072968|0.075455|0.125895|0.109533|0.218391|0.206383|0.303589|0.500000| |2.693472|5.436775|3.743894|4.016998|4.963491|5.953576|5.166101|4.123132|6.124289|3.311697|6.597652|8.654447|4.554192|4.503608|6.956792|9.337399|8.987707|0.212815|17.594244|8.769190|5.600167|4.054200|4.560385|3.298012|6.848226|3.672888|2.476230|2.089979|1.905936|1.874403|2.138460|2.407711|7.616747|0.126876|0.142319|0.143041|0.066534|0.071006|0.078380|0.096560|0.140419|0.078848|0.103970|0.088284|0.135720|0.227002|0.107376|0.112475|0.131550|0.099683|0.500000| |2.382168|4.587453|3.027941|3.349512|3.998572|4.234518|3.629956|3.125315|4.783808|2.566101|4.689843|7.351757|4.207961|4.096619|7.100254|11.295770|8.877808|0.173598|17.535712|8.733303|7.276078|4.606990|5.304085|3.790503|7.756946|4.155829|2.750502|2.266320|2.041837|2.042912|2.377074|2.753130|9.410486|0.143268|0.172848|0.202215|0.059393|0.063436|0.070723|0.085533|0.097070|0.063274|0.078168|0.068748|0.104741|0.142847|0.096775|0.113402|0.128890|0.093159|0.305842|0.500000| |1.958758|3.865679|2.491797|2.561859|2.953235|3.426314|3.268482|2.763671|4.488070|2.602497|4.020757|5.362751|3.047573|2.829228|4.638470|7.038542|7.337931|0.214440|8.799853|17.558137|8.835114|7.179935|7.453005|5.517641|12.641111|5.468690|3.482655|2.826960|2.460172|2.323357|2.649300|3.123401|8.964112|0.147180|0.222100|0.147444|0.050168|0.052170|0.056036|0.064329|0.097097|0.064626|0.082349|0.070965|0.097826|0.139130|0.077098|0.080434|0.080684|0.067720|0.191331|0.176262|0.500000| |2.195231|4.377618|2.812142|2.834016|3.172122|3.639623|3.601082|3.128258|5.111493|2.925132|3.899740|5.049253|2.965099|2.927272|4.125757|6.318920|5.635213|0.152015|8.848511|17.568768|8.876101|6.511269|6.151064|4.084436|8.130767|4.320797|2.744777|2.325811|2.046535|1.954599|2.184868|2.534095|6.376065|0.107390|0.140813|0.117548|0.056214|0.057274|0.063484|0.070719|0.105061|0.072557|0.094910|0.076837|0.092106|0.131854|0.074211|0.077000|0.085050|0.069804|0.231234|0.190822|0.305691|0.500000| |1.963690|3.751606|2.343143|2.435897|2.672343|2.832462|2.688914|2.448777|4.008093|2.220785|2.988167|4.241604|2.643056|2.631833|3.645967|6.192449|4.562187|0.111317|6.482309|8.873289|17.554782|8.793305|8.031401|4.692594|8.382829|4.909310|2.959589|2.472574|2.127017|2.071606|2.334850|2.816835|6.136168|0.101556|0.139025|0.126264|0.050606|0.051564|0.058022|0.063463|0.074841|0.056623|0.068710|0.058594|0.072194|0.092538|0.065203|0.072032|0.079826|0.064063|0.148305|0.196444|0.175075|0.223176|0.500000| |1.833068|3.484410|2.199014|2.333330|2.637409|2.807987|2.580657|2.295895|3.711811|2.065613|3.130368|4.649879|2.840962|2.693199|4.284164|7.515895|5.690306|0.132556|7.030942|8.755606|17.588024|8.872182|10.396867|6.733157|12.703419|6.469460|3.829374|2.995990|2.541923|2.503950|2.934303|3.705464|9.068655|0.140074|0.226755|0.190452|0.047025|0.048982|0.053708|0.060925|0.072159|0.052400|0.063068|0.055734|0.076410|0.096736|0.069836|0.079295|0.081080|0.065399|0.142837|0.211092|0.199140|0.174292|0.306422|0.500000| |1.672545|3.241998|2.012422|2.035254|2.237089|2.476663|2.438227|2.185248|3.685196|2.146209|2.718259|3.669597|2.257898|2.162121|3.062916|5.046317|4.022424|0.111868|4.699487|7.477585|8.778861|17.561710|12.395707|6.881340|11.744514|6.587147|3.729864|3.133484|2.578497|2.362150|2.589689|3.152614|5.667702|0.100271|0.142474|0.104631|0.043655|0.044326|0.048021|0.052384|0.071518|0.055157|0.067259|0.057796|0.068704|0.087289|0.058029|0.060949|0.062368|0.053490|0.112828|0.117203|0.229471|0.194898|0.184611|0.181403|0.500000| |1.631022|3.112953|1.905385|1.936788|2.091354|2.242600|2.194995|2.019199|3.411985|1.947478|2.387073|3.296391|2.090812|2.046304|2.749202|4.691211|3.399938|0.089934|4.091379|5.766804|8.790340|17.625450|12.735864|5.774941|8.864266|6.015379|3.344228|2.872213|2.363353|2.216488|2.414341|2.964892|4.852307|0.085766|0.116485|0.095808|0.042752|0.043054|0.047384|0.050641|0.062781|0.050595|0.060238|0.051864|0.060086|0.074121|0.053303|0.057147|0.060171|0.051061|0.099342|0.111747|0.148338|0.155499|0.231727|0.186944|0.304158|0.500000| |1.423422|2.689028|1.643352|1.689625|1.839306|1.959210|1.887949|1.728728|2.912982|1.665377|2.135435|3.013606|1.933961|1.844395|2.546349|4.476877|3.092245|0.082521|3.341154|4.226054|5.742743|9.091090|26.064367|9.441647|10.859538|10.614472|4.878921|4.103650|3.108566|2.856071|3.085278|4.051479|4.822644|0.088733|0.119701|0.095758|0.037361|0.038104|0.041103|0.044560|0.054017|0.043401|0.050591|0.045176|0.055003|0.065269|0.049812|0.053887|0.053790|0.046556|0.080142|0.091723|0.120042|0.105681|0.137693|0.159067|0.197007|0.239286|0.500000| |1.293058|2.428473|1.484621|1.538507|1.685996|1.789337|1.705606|1.555324|2.613055|1.495081|1.984146|2.839252|1.843230|1.719503|2.403213|4.313854|2.837562|0.076764|2.827305|3.287044|3.949779|4.896467|10.592865|9.446623|10.834839|26.043233|9.025834|7.359964|4.687350|4.161501|4.409270|6.411725|4.661038|0.091022|0.114334|0.092614|0.033940|0.035008|0.037111|0.040773|0.048803|0.038993|0.044807|0.041147|0.052180|0.059766|0.048034|0.052093|0.049628|0.043829|0.068338|0.077354|0.097285|0.081058|0.095156|0.118756|0.123711|0.122305|0.242234|0.500000| |1.341754|2.540533|1.575660|1.643484|1.842707|1.993715|1.875723|1.669787|2.777448|1.602188|2.309088|3.315895|2.111271|1.891232|2.827502|5.006420|3.381047|0.095883|3.032342|3.344898|3.515093|3.852195|6.633593|7.364687|13.648503|12.648618|17.611175|8.903887|6.831070|5.687714|6.822329|8.880382|5.856616|0.126188|0.144100|0.108309|0.034984|0.036697|0.038107|0.043139|0.054320|0.041342|0.047808|0.044965|0.062128|0.069917|0.055843|0.059724|0.053394|0.048027|0.073253|0.079438|0.106323|0.080450|0.082164|0.106326|0.107122|0.090697|0.122177|0.181944|0.500000| |1.173377|2.211267|1.348432|1.386674|1.518419|1.627852|1.567015|1.425550|2.416067|1.401991|1.821122|2.555982|1.671180|1.538776|2.100412|3.711629|2.427194|0.068816|2.309240|2.594345|2.788556|3.250897|5.579776|5.082305|7.909489|9.717956|8.851592|17.549058|8.795263|5.479763|4.835920|5.501633|3.859169|0.080135|0.090591|0.074104|0.030924|0.031985|0.033263|0.036635|0.045418|0.036723|0.041731|0.039146|0.049251|0.054682|0.044595|0.046956|0.043465|0.039615|0.057683|0.061371|0.079858|0.065716|0.068220|0.080624|0.091509|0.081913|0.116084|0.190609|0.216104|0.500000| |1.142035|2.133273|1.296734|1.343634|1.466898|1.549206|1.478063|1.354073|2.285317|1.310919|1.719104|2.456250|1.627942|1.505511|2.034470|3.681372|2.301958|0.063503|2.205436|2.428379|2.696424|3.069717|5.403830|4.759490|7.143520|9.723740|8.857248|17.477634|8.852552|6.778340|5.664953|6.806979|3.717665|0.076728|0.085979|0.073936|0.030093|0.031176|0.032551|0.035795|0.042312|0.034381|0.038806|0.036451|0.046225|0.050944|0.043162|0.046299|0.042919|0.038922|0.054828|0.060128|0.072339|0.061216|0.067139|0.080223|0.082333|0.078900|0.115876|0.219176|0.174368|0.302507|0.500000| |1.148109|2.157014|1.320284|1.369025|1.511137|1.616030|1.537303|1.390810|2.341412|1.354522|1.834236|2.602459|1.719640|1.551607|2.125971|3.795683|2.378718|0.068052|2.158670|2.300255|2.369831|2.561211|4.116105|3.753131|6.633015|6.269866|6.784502|8.855689|17.505412|8.846710|6.778766|5.658608|3.813033|0.083611|0.085536|0.073201|0.030174|0.031599|0.032395|0.036246|0.044439|0.035368|0.039859|0.038280|0.050565|0.054226|0.046480|0.048780|0.043360|0.040222|0.054400|0.057349|0.070679|0.057971|0.058473|0.069757|0.071976|0.064218|0.081648|0.115309|0.201053|0.214792|0.173810|0.500000| |1.060495|1.980821|1.201999|1.242763|1.356166|1.435663|1.373559|1.258033|2.130588|1.228698|1.599554|2.267074|1.518391|1.391501|1.839440|3.309437|2.033146|0.057317|1.897734|2.031856|2.141492|2.345561|3.797128|3.292361|5.511562|5.652584|5.500772|8.849740|17.559490|8.809988|5.492034|4.844971|3.205154|0.068496|0.071520|0.062959|0.028001|0.029138|0.029991|0.033108|0.039488|0.032306|0.036076|0.034523|0.043867|0.047002|0.040941|0.043137|0.039121|0.036292|0.048131|0.051153|0.061112|0.051887|0.053829|0.062773|0.065049|0.060364|0.078264|0.113164|0.140206|0.212006|0.215514|0.303837|0.500000| |1.085111|2.014534|1.227703|1.285895|1.414230|1.482562|1.394520|1.273094|2.133149|1.217703|1.666058|2.415729|1.638524|1.479429|1.973210|3.635462|2.117160|0.058923|1.921195|1.979139|2.065435|2.154194|3.419896|2.985967|5.249211|4.858357|4.833333|5.485971|8.825158|17.554275|8.821692|5.490851|3.404603|0.074995|0.073526|0.068155|0.028519|0.030035|0.030726|0.034437|0.039706|0.031865|0.035471|0.034362|0.045935|0.048175|0.044256|0.047343|0.041566|0.038767|0.048610|0.052378|0.058812|0.049952|0.052143|0.062045|0.058760|0.055031|0.068474|0.093686|0.127380|0.123100|0.139286|0.215083|0.211436|0.500000| |1.089231|2.017536|1.226313|1.284171|1.406077|1.466907|1.381502|1.267229|2.124992|1.208797|1.633475|2.376154|1.608817|1.470137|1.959825|3.633998|2.123369|0.058163|1.971604|2.060025|2.219229|2.350961|3.854925|3.340192|5.574813|5.748153|5.643480|6.760821|8.847961|17.506297|8.853313|6.780087|3.445612|0.073795|0.075719|0.070086|0.028653|0.030014|0.031008|0.034476|0.039190|0.031678|0.035345|0.033848|0.044445|0.047402|0.042966|0.046519|0.041753|0.038414|0.049470|0.054398|0.060523|0.051877|0.056208|0.067268|0.062889|0.060551|0.078919|0.115979|0.131479|0.138938|0.199176|0.173697|0.214747|0.303597|0.500000| |1.260345|2.355419|1.456639|1.540997|1.729790|1.830789|1.692721|1.517419|2.507577|1.428177|2.118044|3.134078|2.074301|1.826170|2.644501|4.903285|2.890266|0.080231|2.505256|2.545339|2.622767|2.661313|4.250499|3.973230|7.502192|6.233947|6.784278|5.658387|6.787090|8.852363|17.492298|8.842912|4.958195|0.114766|0.107544|0.097578|0.032828|0.034896|0.035755|0.040960|0.048244|0.036933|0.041821|0.040398|0.058114|0.061669|0.055520|0.060319|0.051307|0.047166|0.061929|0.067672|0.076898|0.062306|0.064389|0.080884|0.072327|0.065624|0.081092|0.109621|0.200990|0.126765|0.131180|0.199455|0.139325|0.215092|0.173784|0.500000| |1.212383|2.242975|1.378094|1.465573|1.630981|1.694225|1.561428|1.416794|2.340741|1.320008|1.922275|2.882021|1.951440|1.742014|2.432999|4.647772|2.584536|0.069597|2.304273|2.316788|2.459493|2.471276|3.968263|3.535185|6.333807|5.603915|5.492657|4.834522|5.491083|8.807788|17.552002|8.834762|4.389644|0.097792|0.093519|0.091175|0.031626|0.033594|0.034592|0.039370|0.043968|0.034278|0.038484|0.037102|0.052274|0.055222|0.051813|0.057540|0.049542|0.045343|0.057079|0.064067|0.067780|0.057075|0.061738|0.076983|0.065433|0.062247|0.077419|0.104692|0.140011|0.106569|0.126841|0.139217|0.123144|0.211404|0.214770|0.303556|0.500000| |1.251039|2.322343|1.423647|1.503088|1.661848|1.732915|1.612857|1.468633|2.437130|1.376469|1.943053|2.882099|1.915043|1.749132|2.468325|4.650238|2.749619|0.072922|2.574677|2.719147|3.084603|3.246079|5.720274|5.233149|8.254666|9.608340|8.870481|6.814559|5.678578|6.785562|8.832382|17.503572|4.739114|0.098333|0.108128|0.098969|0.032693|0.034292|0.035926|0.040258|0.045515|0.035794|0.040586|0.038240|0.051704|0.056885|0.050012|0.055678|0.050483|0.045028|0.062469|0.072228|0.078974|0.066336|0.076483|0.098466|0.082871|0.081561|0.114425|0.186912|0.174345|0.139959|0.201342|0.131283|0.127211|0.139305|0.199637|0.173478|0.214396|0.500000| 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