Version2.0 2020-01-23T07:50:57Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H]4N1C(=O)c5c4cccc5 C43746601 RHF 6-31G(d) (6D,7F) CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H]4N1C(=O)c5c4cccc5 C01[X(C29H34N4O3)] 204 C1 608 CCCCNC(=O)[C@@H](NC(=O)[C@H]1Cc2c([C@H]3N1C(=O)c1c3cccc1)[nH]c1c2cccc1)CC(C)C CCCCNC(=O)[C@@H](NC(=O)[C@H]1Cc2c([C@H]3N1C(=O)c1c3cccc1)[nH]c1c2cccc1)CC(C)C CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]4N1C(=O)c5ccccc45 InChIKey=QRKHJFAPDSIYQQ-GSLIJJQTSA-N InChI=1S/C29H34N4O3/c1-4-5-14-30-27(34)23(15-17(2)3)32-28(35)24-16-21-18-10-8-9-13-22(18)31-25(21)26-19-11-6-7-12-20(19)29(36)33(24)26/h6-13,17,23-24,26,31H,4-5,14-16H2,1-3H3,(H,30,34)(H,32,35)/t23-,24+,26-/m0/s1 InChI=1/C29H34N4O3/c1-4-5-14-30-27(34)23(15-17(2)3)32-28(35)24-16-21-18-10-8-9-13-22(18)31-25(21)26-19-11-6-7-12-20(19)29(36)33(24)26/h6-13,17,23-24,26,31H,4-5,14-16H2,1-3H3,(H,30,34)(H,32,35)/t23-,24+,26-/m0/s1/f/h30,32H CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H]4N1C(=O)c5c4cccc5 C01[X(C29H34N4O3)] 204 C01 608 CCCCNC(=O)[C@@H](NC(=O)[C@H]1Cc2c([C@H]3N1C(=O)c1c3cccc1)[nH]c1c2cccc1)CC(C)C CCCCNC(=O)[C@@H](NC(=O)[C@H]1Cc2c([C@H]3N1C(=O)c1c3cccc1)[nH]c1c2cccc1)CC(C)C CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]4N1C(=O)c5ccccc45 InChIKey=QRKHJFAPDSIYQQ-GSLIJJQTSA-N InChI=1S/C29H34N4O3/c1-4-5-14-30-27(34)23(15-17(2)3)32-28(35)24-16-21-18-10-8-9-13-22(18)31-25(21)26-19-11-6-7-12-20(19)29(36)33(24)26/h6-13,17,23-24,26,31H,4-5,14-16H2,1-3H3,(H,30,34)(H,32,35)/t23-,24+,26-/m0/s1 InChI=1/C29H34N4O3/c1-4-5-14-30-27(34)23(15-17(2)3)32-28(35)24-16-21-18-10-8-9-13-22(18)31-25(21)26-19-11-6-7-12-20(19)29(36)33(24)26/h6-13,17,23-24,26,31H,4-5,14-16H2,1-3H3,(H,30,34)(H,32,35)/t23-,24+,26-/m0/s1/f/h30,32H 3780.3151646873 -1560.4579388 1-A 24727.9875 130 478 608 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.52974 -20.52612 -20.52393 -15.60323 -15.59333 -15.58778 -15.58425 -11.35104 -11.34834 -11.34610 -11.28844 -11.27994 -11.27788 -11.26972 -11.26443 -11.26277 -11.25768 -11.25243 -11.24998 -11.24903 -11.24298 -11.23946 -11.23917 -11.23315 -11.23080 -11.22916 -11.22823 -11.22708 -11.22552 -11.22318 -11.22205 -11.21875 -11.21840 -11.21750 -11.21495 -11.21136 -1.40175 -1.39561 -1.38893 -1.30699 -1.27461 -1.24416 -1.24005 -1.17410 -1.13439 -1.10370 -1.09384 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10.41262
-0.4591 0.8983 4.0923 4.2148 |XX|YY|ZZ|XY|XZ|YZ| -168.8048 -215.7808 -218.2337 0.9358 8.0082 -6.6148
|XX|YY|ZZ|XY|XZ|YZ| 32.1350 -14.8410 -17.2940 0.9358 8.0082 -6.6148
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -62.8079 8.6904 13.3874 19.1197 -101.0646 136.1999 24.1546 21.3833 13.0979 -8.2608
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849.1212 870.1913 871.9084 888.5775 889.1917 932.8906 941.5969 942.7044 960.4451 964.6791 977.3891 991.4943 999.7648 1009.4861 1028.2399 1034.6826 1041.1067 1047.9230 1055.8143 1057.9013 1066.4316 1087.8424 1096.1857 1099.8652 1106.6639 1114.7329 1117.9769 1120.5367 1128.6484 1139.7054 1153.5833 1167.2486 1203.3478 1209.4040 1219.7915 1225.9042 1233.8638 1236.0692 1249.5208 1251.6171 1260.7073 1287.5930 1292.5517 1301.3514 1310.1017 1321.7056 1331.7380 1336.9729 1341.6291 1350.3020 1357.7760 1367.5707 1369.4049 1384.9773 1391.7778 1400.7774 1402.4309 1422.2690 1430.1052 1439.9257 1441.5000 1442.2283 1455.5854 1463.5407 1488.0310 1499.1872 1507.9574 1515.2202 1519.5886 1530.4782 1539.9473 1553.7088 1559.8533 1567.5635 1574.1541 1575.6308 1586.2960 1614.7969 1627.2728 1628.6390 1634.1599 1636.0409 1636.8012 1642.0950 1642.3319 1643.7129 1644.3144 1647.6076 1650.3027 1654.1043 1655.7083 1664.5379 1670.2199 1699.7494 1727.5957 1762.1874 1792.4788 1796.0282 1819.5040 1827.1345 1929.3842 1944.5682 1970.7560 3178.9444 3195.1030 3195.4078 3196.4404 3200.3649 3202.8448 3208.1591 3208.4460 3215.3053 3216.7250 3233.9597 3244.9177 3254.0473 3256.4011 3258.4728 3263.1194 3264.5592 3266.0937 3267.4381 3268.9352 3299.0870 3302.7135 3306.9063 3351.8698 3356.0338 3359.5620 3370.9270 3371.7331 3384.7728 3385.0194 3400.2922 3868.1274 3885.5289 3930.0170 4.3766 3.3941 4.6948 3.8930 4.3883 5.7215 2.9720 3.4923 2.9231 5.4415 3.6486 4.8516 3.4012 5.3133 2.1955 4.4733 5.0419 4.7983 3.0522 5.1104 2.9195 3.3635 2.2500 1.8001 1.4967 1.3466 3.2566 4.3042 1.2828 3.9156 4.5031 2.3296 5.4403 4.5865 4.1127 4.6238 3.1557 3.8007 2.4541 2.7558 2.0948 2.4020 3.1497 2.7602 3.7994 2.7915 3.1130 3.8046 2.7904 1.4975 5.4800 5.6975 3.6265 4.5710 5.5873 4.5707 5.0152 5.1669 5.9884 4.6098 3.6512 1.0860 4.9252 2.4748 3.2126 1.4786 3.3391 3.2107 1.5474 2.3940 2.8751 2.8740 4.6649 2.6068 3.2393 1.4674 3.6839 2.1164 2.9197 1.7489 1.2104 2.1973 1.6240 1.7880 1.5190 5.2808 1.3689 2.2364 1.3898 2.7783 1.3011 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6.3467 6.3695 6.2420 6.4992 6.2809 6.2977 6.5536 6.4530 6.6444 6.4622 6.7749 6.8347 6.8888 6.8956 6.8943 6.9250 6.8097 6.9319 6.9337 6.9391 6.9651 7.0429 7.0053 7.1919 7.2219 7.2504 7.3093 7.3372 7.4108 7.3932 7.4710 9.5114 9.5960 9.8335 0.2089 0.0542 0.3660 1.0543 0.4058 0.6847 0.1721 1.3700 0.0386 5.0076 3.8841 6.2958 0.7230 0.6025 1.6219 4.8259 6.6551 7.3148 2.3504 4.4104 0.8642 2.6460 61.7337 9.3507 1.3831 1.2952 10.0740 18.2052 0.9800 8.2364 10.6343 3.8300 4.0180 9.2698 5.9432 20.8213 3.3918 21.4566 17.3612 2.9881 51.8000 32.4476 1.4796 6.7037 8.2040 18.4387 20.1527 22.9920 40.0011 64.9299 2.5097 4.7532 2.2529 3.0402 0.6645 29.3327 17.2448 1.2527 0.7672 9.1424 1.3235 1.9658 7.5116 73.4863 28.4639 50.9129 18.9476 7.2043 8.0384 6.0741 0.5989 1.0597 6.5535 11.3990 1.4807 0.0895 5.4391 1.1649 2.8144 0.1983 0.8062 10.3426 3.0982 0.8335 0.2973 10.2466 2.5424 12.7334 0.8350 1.3151 0.0640 2.3312 1.7189 1.8310 2.2617 0.1263 0.0230 1.0178 6.5460 14.7730 3.3425 23.7891 3.5402 22.6614 2.4695 10.4227 3.9009 3.9789 27.3016 13.7582 5.1227 12.2286 49.8017 8.3258 179.1819 23.8657 30.9785 38.7228 35.0103 12.1140 27.2822 3.4740 86.5526 5.6061 5.7592 68.4163 7.5680 2.8219 20.6344 1.2764 11.6458 2.8295 43.5178 13.4568 18.7670 188.6306 5.8257 124.7809 72.2568 10.4629 16.2264 33.0798 7.0321 85.0841 22.8169 5.8057 59.4100 5.3752 4.6600 45.1857 1.2579 4.8325 1.2310 5.7413 2.0402 2.3637 2.3991 1.0769 11.1367 12.6037 833.6191 120.6592 6.2817 0.9282 3.4651 37.9817 8.5680 447.3523 65.5213 523.3480 21.3984 37.5046 36.7827 22.9460 28.0281 19.7856 15.4852 30.1622 26.8290 17.2668 39.7031 37.5043 2.2416 8.3906 46.2315 87.1834 5.5403 72.7714 71.0611 91.3463 10.6503 22.5775 20.1819 1.3996 7.1271 4.4111 15.8442 43.1227 39.9685 25.6388 15.0672 69.2629 31.4753 68.7858 0.4366 0.2773 1.6334 1.0994 3.2701 3.5749 0.9715 2.1152 2.9963 3.4008 2.1228 0.7557 0.6769 3.8022 0.1376 1.1910 3.3938 2.3804 0.4666 2.5399 0.7508 0.9154 0.5726 0.3952 0.0974 0.4457 1.8216 4.2906 0.3303 0.3805 0.9208 1.0112 1.2994 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MUNgauss RevisionA2.0 retrievium 23-Jan-2020 DUDE CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H]4N1C(=O)c5c4cccc5 C43746601 RHF 6-31G(d) (6D,10F) C1 486.263091 |X|Y|Z| 133.612502 74.248908 36.915776
71.545621 20 6 7 18 2
|36.858105| |12.467550|36.858105| |7.482347|12.455132|36.858105| |4.878601|7.503756|12.493365|36.858105| |3.811975|4.990244|7.770930|13.109304|53.358707| |3.057548|3.840979|5.142503|7.765514|19.294734|36.858105| |2.874802|3.642922|4.505598|6.813219|11.553475|15.807577|73.516695| |2.579322|3.048464|3.925727|4.986752|10.612424|12.478695|14.272440|36.858105| |2.619410|3.039253|3.970951|4.768519|10.151490|8.808421|10.492227|17.644661|0.500000| |2.394421|2.750914|3.444581|4.080473|7.678764|7.533548|10.880349|12.367079|0.244255|36.858105| |2.607684|2.930496|3.728653|4.104770|7.423443|6.008699|8.700526|7.266639|0.184434|12.394004|36.858105| |2.601506|2.828762|3.618785|3.736152|6.665916|4.854357|6.894062|5.977503|0.184202|7.460988|12.426163|36.858105| |2.286217|2.504997|3.012472|3.222566|5.289587|4.255848|6.839754|4.847489|0.123199|7.600283|12.432014|7.578973|36.858105| |2.243152|2.629177|3.202147|4.032215|7.403259|8.002153|12.485395|13.146071|0.258354|7.740043|4.921947|4.267742|3.839306|53.358707| |2.000186|2.284070|2.722160|3.248000|5.654160|5.253814|8.367407|7.764053|0.205549|5.848547|4.104961|3.858625|3.368755|19.247346|36.858105| |1.972231|2.212135|2.651023|3.047177|5.316246|4.590716|7.015462|6.835799|0.214124|5.543059|4.154908|4.218861|3.393357|11.581056|15.834571|73.516695| |1.779504|2.019769|2.325821|2.748960|4.476821|4.026222|6.995926|5.014792|0.130314|4.211777|3.174480|2.965706|2.771059|10.724773|12.450264|14.062156|36.858105| |1.828918|2.098496|2.395978|2.881864|4.598186|4.141494|7.454780|4.766786|0.122100|3.858419|2.971611|2.752762|2.583032|10.073117|8.943725|10.757561|17.628156|0.500000| |1.646672|1.856347|2.108962|2.466431|3.930689|3.543828|6.414595|4.300027|0.107413|4.053387|3.065391|2.776466|2.812802|8.302519|7.471821|10.018363|12.311764|0.244938|36.858105| |1.518351|1.682669|1.904823|2.165463|3.434063|2.982199|5.244578|3.662641|0.095588|3.661468|2.885221|2.692752|2.728951|6.342670|5.896045|9.414645|7.620797|0.155711|12.685696|36.858105| |1.419953|1.559238|1.750203|1.960889|3.065816|2.622310|4.646243|3.145065|0.081929|3.337111|2.728652|2.532306|2.703125|5.061185|4.299288|7.211884|4.894891|0.111291|7.143627|13.184408|36.858105| |1.388398|1.523897|1.697096|1.898972|2.929219|2.506603|4.535216|2.917551|0.074558|3.196127|2.660421|2.407266|2.727500|4.553861|3.601594|5.948507|3.960043|0.095553|5.634526|7.276018|13.636789|36.858105| |1.288936|1.399891|1.546934|1.703614|2.597070|2.174061|3.910504|2.488599|0.064634|2.755733|2.395227|2.200105|2.520989|3.735629|2.920194|4.983962|3.111023|0.076771|4.024147|5.010406|7.969664|13.840697|36.858105| |1.227576|1.322335|1.460199|1.589762|2.422516|1.995283|3.532447|2.294278|0.060940|2.515141|2.230320|2.108964|2.336461|3.402034|2.717525|4.792201|2.865559|0.070306|3.517555|4.550110|6.868551|7.884228|13.587821|36.858105| |1.246987|1.342530|1.490255|1.621402|2.490727|2.045296|3.572576|2.390345|0.064512|2.572317|2.263588|2.185426|2.315846|3.580894|2.964439|5.350381|3.144727|0.075483|3.778596|5.264955|7.795123|6.750544|7.866524|13.837473|36.858105| |1.338459|1.453324|1.626406|1.791362|2.787069|2.322833|4.043929|2.774843|0.074674|2.932646|2.491720|2.395188|2.480490|4.305596|3.711517|6.647235|4.063501|0.093682|5.073228|8.349303|13.600665|7.895793|6.931531|8.046457|13.686437|36.858105| |1.367418|1.484279|1.668248|1.835713|2.874464|2.377708|4.075922|2.873872|0.079288|2.925428|2.479166|2.443843|2.394007|4.517098|4.113247|7.666802|4.559310|0.102272|5.185532|8.532151|8.503183|5.358449|4.643962|5.156659|7.596015|13.870370|53.358707| |1.313729|1.415862|1.585310|1.725960|2.684800|2.183429|3.720393|2.607907|0.073194|2.637556|2.290901|2.303296|2.213238|4.005559|3.602555|6.905994|3.893672|0.090013|4.166454|5.984035|5.960208|4.275872|3.940840|4.550257|6.673773|9.041970|26.143655|0.500000| |1.473104|1.617493|1.830744|2.049667|3.246993|2.738734|4.697793|3.368595|0.092185|3.295801|2.686885|2.615097|2.517007|5.624375|5.507380|9.847804|6.730433|0.138870|7.580516|14.136298|8.501121|5.257911|4.174403|4.186435|5.294573|8.533196|18.876672|0.250377|36.858105| |1.528303|1.679916|1.907479|2.135422|3.392706|2.817672|4.750319|3.451531|0.097995|3.174920|2.613506|2.609827|2.371450|5.818798|6.068736|11.440269|7.511861|0.156092|6.273700|7.542424|5.145185|3.770382|3.145320|3.158160|3.809739|5.173109|10.167584|0.185696|12.680998|36.858105| |1.588757|1.738531|1.993765|2.211358|3.560965|2.916721|4.788130|3.660572|0.107987|3.358347|2.793884|2.874011|2.501489|5.930199|6.277985|13.831830|6.414731|0.137012|5.190188|6.035117|4.509177|3.423092|2.928847|2.978523|3.585578|4.674683|8.957978|0.174591|8.964016|17.593847|0.500000| |1.637863|1.828152|2.080224|2.385646|3.800165|3.224751|5.508380|3.896486|0.108222|3.376670|2.707390|2.640824|2.402343|7.130836|7.767767|12.289806|13.187920|0.260815|7.758017|6.940579|4.572321|3.566703|2.911350|2.799078|3.190117|4.153775|6.973607|0.125771|7.944699|13.041569|0.252945|53.358707| |1.550992|1.725685|1.928896|2.197701|3.394267|2.811422|4.897234|3.200727|0.088970|2.780701|2.306856|2.256415|2.068742|5.577433|5.265337|8.492321|7.783685|0.213636|5.678420|5.074067|3.717432|3.044348|2.556222|2.470733|2.775198|3.455881|5.625556|0.106226|5.625282|8.054714|0.171114|18.973756|36.858105| |1.580408|1.771520|1.961775|2.257383|3.424918|2.832815|5.040138|3.095862|0.084809|2.649392|2.210737|2.137712|1.977846|5.384058|4.700487|7.292326|6.689727|0.221976|5.055327|4.216521|3.235501|2.771714|2.342002|2.230325|2.438922|2.950219|4.565131|0.086444|4.319418|5.417565|0.126003|11.331857|15.896911|73.516695| |1.411746|1.547291|1.715804|1.910889|2.920956|2.363408|4.085364|2.683512|0.075847|2.414409|2.060988|2.053161|1.880579|4.414268|4.061450|7.105946|5.224793|0.135589|4.405690|4.492628|3.506461|2.849765|2.469322|2.467207|2.840146|3.486828|5.929223|0.118432|5.492810|8.063125|0.171746|11.389231|12.847533|14.044088|36.858105| |1.399317|1.525008|1.703650|1.882739|2.913930|2.360509|4.027047|2.757359|0.078619|2.543406|2.171784|2.186407|1.996244|4.470646|4.235689|7.835361|5.167229|0.123340|4.554278|5.198719|4.051867|3.147489|2.738978|2.808836|3.370995|4.268162|8.027268|0.166333|7.415396|12.563848|0.246070|11.215304|8.170422|9.706582|13.816536|36.858105| |1.290980|1.391353|1.542544|1.677965|2.568277|2.045961|3.488038|2.358466|0.067638|2.226168|1.952403|1.989219|1.822676|3.675398|3.327610|6.294646|3.792925|0.093320|3.537516|4.135444|3.548671|2.833535|2.568257|2.724864|3.320031|3.983120|7.410415|0.173064|5.655961|7.229064|0.177746|7.049102|5.224658|7.134792|7.957916|13.762796|36.858105| |1.212955|1.301992|1.427916|1.544804|2.328053|1.834780|3.152803|2.063500|0.059019|1.940560|1.725355|1.755320|1.616253|3.179581|2.781609|5.153433|3.163055|0.081324|2.961982|3.298932|2.913708|2.428199|2.235948|2.357657|2.780094|3.188817|5.438700|0.123051|4.117087|4.953859|0.124780|5.613173|4.537522|6.625826|6.974391|8.012088|13.740696|36.858105| |1.220841|1.315691|1.434819|1.560180|2.331243|1.836074|3.181243|2.031469|0.057787|1.880972|1.667679|1.683082|1.552623|3.158774|2.729222|4.923205|3.176015|0.084589|2.921167|3.094323|2.689979|2.284213|2.082410|2.144445|2.458118|2.819137|4.619737|0.099198|3.673380|4.470977|0.110385|5.629459|5.019007|7.621559|8.039662|6.888838|7.863220|13.678845|36.858105| |1.311715|1.427365|1.562175|1.720900|2.580839|2.052925|3.572883|2.269546|0.064197|2.060376|1.798243|1.797938|1.655604|3.619456|3.164177|5.560550|3.851539|0.104762|3.410788|3.461873|2.883720|2.434686|2.166747|2.181169|2.474212|2.908585|4.746211|0.097648|4.034634|5.162646|0.122012|7.152514|7.373304|10.973195|13.773975|7.877694|6.777979|7.913631|13.770497|36.858105| |17.537967|8.773885|6.777152|4.506031|5.025348|2.944930|4.831481|2.539974|0.073150|2.332668|2.530703|2.595970|2.202298|3.015006|2.000927|3.546046|1.775070|0.050552|1.627585|1.508129|1.405228|1.364202|1.267091|1.213648|1.239982|1.332577|1.865650|0.036732|1.476022|1.544078|0.044835|2.245715|1.565333|2.828076|1.430823|1.418777|1.311924|1.234247|1.241849|1.331917|0.500000| |17.539721|8.774831|6.780122|4.507227|5.023252|2.994290|4.980524|2.563630|0.072164|2.442790|2.735184|2.735047|2.426138|2.998605|1.965190|3.463758|1.740044|0.049236|1.624770|1.508640|1.421309|1.395463|1.301203|1.239939|1.255840|1.341984|1.857593|0.036421|1.461665|1.504876|0.043559|2.176962|1.504486|2.706577|1.374965|1.372892|1.270689|1.190150|1.191297|1.274733|0.301600|0.500000| |17.555681|8.781945|5.460520|4.051329|4.383422|2.683129|4.590089|2.286221|0.063997|2.136253|2.296463|2.273694|2.053324|2.763024|1.823670|3.183911|1.646697|0.047181|1.533471|1.415695|1.328872|1.304150|1.214934|1.157258|1.172454|1.253838|1.739586|0.034157|1.372870|1.421525|0.040826|2.072441|1.453481|2.644050|1.327800|1.311307|1.213931|1.146773|1.157647|1.241597|0.301748|0.301732|0.500000| |8.861687|17.518582|8.856674|6.900031|6.321136|3.669022|6.286805|2.921074|0.081106|2.577741|2.662020|2.578714|2.281251|3.525548|2.266286|3.878456|2.029102|0.059248|1.848736|1.665940|1.533607|1.492831|1.367577|1.292666|1.316137|1.429183|1.996001|0.038899|1.605636|1.681434|0.048132|2.512096|1.761495|3.245852|1.574419|1.537187|1.399408|1.316263|1.339371|1.459060|0.210731|0.172968|0.212927|0.500000| |8.861156|17.519260|8.862546|6.903902|6.316868|3.765010|6.623297|2.956920|0.079778|2.727489|2.901113|2.713766|2.530690|3.499579|2.215122|3.772289|1.977623|0.057173|1.844639|1.666620|1.554415|1.533747|1.410410|1.324322|1.334998|1.440716|1.986218|0.038533|1.587341|1.631527|0.046575|2.417624|1.676692|3.067033|1.501412|1.479725|1.350040|1.263544|1.277011|1.385349|0.172952|0.210738|0.212905|0.303914|0.500000| |6.859111|8.835733|17.519513|8.890826|9.677376|4.958364|7.650878|3.934239|0.110051|3.646158|4.203130|4.071400|3.395741|4.253754|2.661859|4.656656|2.257326|0.063623|2.078278|1.898266|1.763412|1.719873|1.576393|1.488486|1.513216|1.642050|2.277393|0.044154|1.820507|1.874646|0.054637|2.745188|1.852574|3.314973|1.659800|1.665845|1.515878|1.397371|1.393531|1.507780|0.168762|0.203420|0.140261|0.173518|0.211508|0.500000| |6.883530|8.863603|17.485251|8.860292|9.659715|4.733725|7.131620|3.842980|0.113380|3.303511|3.553131|3.646776|2.850117|4.293653|2.748249|4.854391|2.332178|0.066448|2.081888|1.895329|1.731524|1.661183|1.515915|1.442746|1.484661|1.623568|2.290127|0.044671|1.846489|1.949691|0.057146|2.883141|1.967358|3.541542|1.758831|1.747801|1.585697|1.468824|1.474912|1.603300|0.204231|0.169240|0.140631|0.212018|0.173805|0.303019|0.500000| |4.539640|6.881575|8.829056|17.532301|12.393367|6.591391|11.032764|4.482147|0.120540|3.573048|3.450223|3.207620|2.784346|5.306035|3.197982|5.276212|2.773906|0.082639|2.450524|2.131190|1.911642|1.841158|1.647351|1.539648|1.576011|1.747279|2.453476|0.047171|2.026090|2.138441|0.061081|3.300835|2.273377|4.219801|1.962616|1.905600|1.691852|1.568516|1.599878|1.777166|0.119590|0.111352|0.108812|0.207913|0.172047|0.173673|0.210577|0.500000| |4.515307|6.803996|8.826662|17.628234|12.599094|7.313477|13.361996|4.667673|0.117550|4.049626|4.068748|3.512777|3.305990|5.260825|3.079293|5.052165|2.659597|0.077596|2.452083|2.142311|1.960791|1.927254|1.730230|1.599880|1.614979|1.775894|2.445849|0.046714|1.998655|2.047585|0.058273|3.108273|2.106421|3.858256|1.832239|1.805947|1.612250|1.485907|1.500590|1.652991|0.110888|0.119339|0.108104|0.169497|0.205042|0.212701|0.173448|0.303484|0.500000| |3.776261|4.667472|7.338111|9.019464|26.078959|9.445815|10.892908|7.457764|0.236211|5.446006|5.506240|5.526351|3.844272|6.992399|4.164044|7.327167|3.226383|0.090287|2.791105|2.492533|2.222305|2.097913|1.871166|1.766572|1.833470|2.050894|2.912038|0.055942|2.404941|2.546362|0.075672|3.823514|2.496098|4.416729|2.172973|2.186726|1.936503|1.750189|1.742475|1.918562|0.105510|0.102191|0.087618|0.120637|0.115780|0.192160|0.216392|0.198702|0.181488|0.500000| |2.137135|2.404792|2.936565|3.370097|6.040620|5.541427|8.428112|8.959790|0.212920|17.544645|8.850029|6.899342|6.862190|9.889924|6.423626|11.535659|4.546005|0.109741|4.474275|4.255326|3.891914|3.629827|3.102101|2.854320|2.963197|3.431942|4.660943|0.084759|3.842685|3.601035|0.107427|5.021933|2.948555|4.862447|2.590414|2.801506|2.449405|2.097285|2.003419|2.182047|0.058437|0.060487|0.053449|0.063269|0.065873|0.085572|0.079953|0.084595|0.091940|0.123913|0.500000| |2.305134|2.668246|3.246436|3.916724|6.897000|7.043132|11.893395|8.940505|0.174443|17.543072|8.836226|5.473736|7.163892|9.681275|5.245218|8.279065|4.112304|0.106864|4.200097|3.686668|3.426750|3.410784|2.909116|2.580666|2.578184|2.921655|3.859939|0.070343|3.190319|2.996559|0.085356|4.393809|2.698898|4.636124|2.330733|2.428864|2.126204|1.867275|1.821573|2.000402|0.061541|0.065266|0.057779|0.069663|0.075163|0.094936|0.084369|0.096112|0.113414|0.128101|0.302888|0.500000| |3.002027|3.445042|4.522919|4.989791|8.954194|6.766974|9.748184|6.725720|0.167792|8.860079|17.514427|8.906395|8.947123|6.205640|3.694707|6.471524|2.933907|0.078498|2.808968|2.591020|2.440287|2.400454|2.168693|2.012947|2.031033|2.224105|3.016776|0.057179|2.411209|2.375670|0.069778|3.409885|2.178752|3.774828|1.938123|2.009625|1.808492|1.617584|1.579245|1.707971|0.079498|0.088289|0.072439|0.084826|0.095666|0.147846|0.114871|0.110574|0.140288|0.175377|0.173964|0.210631|0.500000| |2.663109|2.814408|3.539002|3.468064|5.798228|4.044577|5.974588|4.554606|0.136654|5.452275|8.782286|17.546034|6.997332|4.705128|3.163822|6.073104|2.537121|0.066208|2.405356|2.351431|2.248663|2.165560|2.014618|1.943008|1.997840|2.149953|2.965921|0.057618|2.293892|2.284567|0.069336|3.127772|2.001800|3.392634|1.843824|1.956020|1.804486|1.609405|1.544248|1.636511|0.073797|0.079496|0.064534|0.070255|0.075078|0.114185|0.098913|0.082486|0.091385|0.132076|0.141161|0.123024|0.212421|0.500000| |2.823393|3.094837|4.100729|4.208023|7.865562|5.352073|7.227913|6.520864|0.228077|6.675604|8.690054|17.550522|5.479539|6.142384|4.076430|8.045122|3.072478|0.080097|2.771917|2.647787|2.432114|2.279720|2.068287|1.989104|2.081762|2.304492|3.262866|0.063090|2.605530|2.680687|0.082741|3.748975|2.363581|3.997591|2.136505|2.254315|2.038013|1.803942|1.740661|1.870309|0.079562|0.081280|0.067663|0.078784|0.080438|0.125539|0.119274|0.100374|0.104912|0.199832|0.167730|0.137158|0.212291|0.302816|0.500000| |2.279305|2.454282|3.038581|3.162942|5.494426|4.161173|6.107947|5.402583|0.168601|6.812398|8.769581|17.536286|6.804930|5.672858|3.997488|8.135451|3.068644|0.077226|2.894861|2.898352|2.745515|2.572653|2.361335|2.294265|2.407053|2.640693|3.686565|0.071113|2.858882|2.826427|0.087992|3.780475|2.339984|3.873901|2.155531|2.340858|2.141390|1.867135|1.767600|1.875251|0.063603|0.065994|0.056164|0.063239|0.065568|0.092227|0.085928|0.077932|0.083113|0.124772|0.206521|0.140816|0.173492|0.301398|0.302314|0.500000| |2.230347|2.470327|2.913290|3.183004|5.079036|4.213397|7.161025|4.568506|0.111043|6.938882|8.755593|5.492808|17.549031|5.131796|3.243812|5.607739|2.743836|0.071846|2.854129|2.724929|2.726764|2.827473|2.605475|2.361547|2.297034|2.452470|3.170006|0.059362|2.457747|2.289563|0.065867|3.194886|2.036507|3.492895|1.840315|1.936748|1.763055|1.571117|1.518195|1.624565|0.058960|0.065494|0.056174|0.062691|0.070655|0.090280|0.075097|0.076761|0.093693|0.098726|0.168565|0.216352|0.213978|0.142190|0.122254|0.139178|0.500000| |2.334552|2.502846|2.976169|3.055688|4.838291|3.687183|5.952232|3.995421|0.105537|5.501147|8.766849|6.945133|17.544802|4.381032|2.876271|5.209649|2.411685|0.063095|2.427321|2.372446|2.361410|2.384967|2.246918|2.111366|2.091248|2.206612|2.912768|0.055682|2.224125|2.118000|0.062181|2.906114|1.867241|3.186641|1.715398|1.815304|1.676241|1.499410|1.441218|1.526782|0.062366|0.070030|0.058203|0.062587|0.070273|0.095324|0.078257|0.073103|0.086906|0.099011|0.140371|0.144118|0.213792|0.211484|0.141727|0.168852|0.301594|0.500000| |2.049264|2.223669|2.636000|2.815601|4.604497|3.737979|6.048764|4.475971|0.116446|6.883414|8.766932|6.838825|17.528118|5.082602|3.426660|6.270513|2.835566|0.071935|2.927150|2.935854|2.969783|2.990283|2.790962|2.609028|2.589288|2.755440|3.582252|0.067445|2.718791|2.512127|0.074000|3.383322|2.118718|3.552764|1.945996|2.097961|1.925868|1.692754|1.609321|1.705501|0.055416|0.059913|0.051541|0.057054|0.061956|0.080731|0.070592|0.069259|0.079194|0.094505|0.203860|0.176835|0.173831|0.171554|0.139073|0.200983|0.301439|0.301543|0.500000| |2.213464|2.623810|3.125688|4.031284|6.976900|7.733695|14.582784|9.115676|0.183246|6.425740|4.346885|3.664418|3.549113|26.030537|9.304078|10.826058|7.480310|0.221785|6.296662|4.480765|3.622136|3.358157|2.732883|2.443324|2.527755|3.013558|4.210745|0.076001|3.827758|3.875111|0.105371|6.616475|3.999958|7.164027|3.121602|3.080128|2.540788|2.232778|2.248933|2.595064|0.060084|0.060095|0.056132|0.072371|0.072390|0.083934|0.083778|0.110303|0.111121|0.127532|0.161791|0.187501|0.116470|0.085291|0.105769|0.098094|0.100551|0.083440|0.094698|0.500000| |1.565226|1.763135|1.971391|2.300415|3.566381|3.159495|5.877070|3.613939|0.090911|3.390732|2.665207|2.420577|2.477557|6.652750|5.545528|7.801862|8.856777|0.226693|17.532674|8.894231|6.107810|5.209559|3.816068|3.312205|3.486397|4.495001|6.141998|0.103845|6.126652|5.323336|0.120376|9.108461|5.729202|9.654275|4.421465|4.310579|3.391150|2.933380|2.970425|3.518930|0.042890|0.042732|0.040790|0.049122|0.048887|0.053630|0.053889|0.064284|0.063989|0.069803|0.100458|0.099133|0.069281|0.059281|0.067362|0.069288|0.070598|0.060332|0.070870|0.147875|0.500000| |1.728235|1.962226|2.241440|2.652966|4.260739|3.972631|7.368822|4.838546|0.114497|4.762213|3.459118|3.002763|3.193907|9.337614|7.174259|9.466695|8.753348|0.201244|17.551424|8.892530|6.573940|5.898995|4.155513|3.489933|3.590396|4.591520|6.005081|0.100531|5.748241|4.825103|0.119946|7.679740|4.398436|7.322889|3.542232|3.660124|2.982534|2.546318|2.506754|2.864902|0.047076|0.047588|0.044596|0.053858|0.054622|0.061827|0.060654|0.072187|0.074423|0.082532|0.144186|0.144861|0.087761|0.071823|0.081944|0.085955|0.091948|0.075075|0.091715|0.207869|0.303721|0.500000| |1.438067|1.590324|1.767766|1.999802|3.071464|2.666611|4.935797|3.050768|0.076170|3.344209|2.746437|2.422360|2.813547|4.806430|3.651827|5.823661|4.036161|0.100113|5.916930|6.447369|8.843914|17.706219|8.933275|5.615634|4.887320|5.612093|5.900595|0.099006|4.558318|3.476171|0.087790|4.724336|2.995331|4.975832|2.724234|2.914024|2.587782|2.253879|2.163781|2.339542|0.039032|0.040106|0.037559|0.043283|0.044748|0.049690|0.047658|0.053854|0.056977|0.060265|0.102663|0.102708|0.069631|0.060485|0.063768|0.070611|0.082922|0.067891|0.084014|0.101651|0.157078|0.187918|0.500000| |1.258163|1.364167|1.497458|1.644241|2.480485|2.067090|3.754608|2.319652|0.059933|2.585370|2.285895|2.080421|2.446257|3.428601|2.611501|4.433115|2.753110|0.069499|3.481375|4.035165|5.655227|8.956126|17.717377|8.884798|5.628611|4.982540|5.009162|0.089620|3.410063|2.695572|0.070358|3.476777|2.282060|3.784213|2.194179|2.386693|2.249064|1.995068|1.879180|1.954332|0.034221|0.035361|0.033048|0.036953|0.038389|0.042502|0.040542|0.044084|0.046743|0.049371|0.079162|0.076896|0.058081|0.053463|0.054119|0.061336|0.071312|0.061054|0.074577|0.070494|0.093629|0.102222|0.215543|0.500000| |1.162721|1.244933|1.366610|1.475419|2.228955|1.815533|3.214881|2.059529|0.054988|2.259829|2.049118|1.950072|2.170202|3.003146|2.367610|4.201963|2.467399|0.061523|2.937387|3.621576|4.949633|5.634559|8.883283|17.714054|8.974320|5.690279|5.627746|0.106606|3.421498|2.709721|0.071933|3.299534|2.177561|3.531069|2.191532|2.468619|2.439270|2.151546|1.960516|1.972891|0.031926|0.032696|0.030533|0.033767|0.034676|0.038790|0.037501|0.039664|0.041302|0.045210|0.070311|0.064322|0.051711|0.050520|0.050999|0.058729|0.060944|0.055232|0.067143|0.060029|0.077827|0.081485|0.123985|0.215559|0.500000| |1.193475|1.276464|1.412612|1.522785|2.328366|1.886214|3.273089|2.189932|0.059944|2.337753|2.097705|2.063025|2.142592|3.234589|2.678755|4.930362|2.806739|0.068092|3.222361|4.295461|5.569032|4.887326|5.600786|8.898416|17.707054|8.831653|9.128883|0.188432|4.609858|3.537078|0.094458|3.973444|2.583689|4.034355|2.712743|3.250281|3.344130|2.821058|2.446050|2.404772|0.033082|0.033403|0.031209|0.034780|0.035150|0.039850|0.039282|0.041171|0.041948|0.047933|0.074259|0.064308|0.052474|0.052845|0.054803|0.063338|0.058479|0.054441|0.066417|0.063076|0.083313|0.084619|0.106393|0.123747|0.215047|0.500000| |1.270433|1.362284|1.513354|1.634547|2.509183|1.992244|3.377594|2.314880|0.066649|2.228575|1.972935|2.027236|1.859209|3.540207|3.181581|6.164557|3.482078|0.084606|3.333956|4.041790|3.622154|2.882658|2.664245|2.906310|3.644429|4.295397|8.248558|0.215861|5.609491|6.461126|0.173264|6.109544|4.246323|6.003124|5.635877|8.836878|17.708709|8.916638|5.615957|4.902262|0.035867|0.034906|0.033143|0.037848|0.036733|0.041602|0.043214|0.045407|0.043676|0.052784|0.068906|0.058838|0.050367|0.051225|0.057223|0.061363|0.049674|0.047592|0.055129|0.067413|0.087081|0.079745|0.071873|0.064389|0.072515|0.105213|0.500000| |1.146251|1.222547|1.334874|1.432097|2.145840|1.678409|2.883743|1.876032|0.053719|1.784140|1.607210|1.642790|1.518056|2.841645|2.441921|4.550066|2.708669|0.070004|2.581347|2.885507|2.637246|2.238273|2.103556|2.248193|2.642217|2.932023|4.870179|0.112548|3.520611|4.011297|0.104852|4.596275|3.613112|5.479113|5.004217|5.679834|8.939155|17.714049|8.919428|5.644155|0.032425|0.031310|0.030168|0.034273|0.032973|0.036402|0.038153|0.040278|0.038323|0.044883|0.053479|0.047718|0.041903|0.042170|0.046716|0.048601|0.040950|0.039367|0.044243|0.055487|0.070943|0.062884|0.057546|0.052474|0.057801|0.076067|0.216018|0.500000| |1.158114|1.242794|1.344976|1.454007|2.150553|1.680464|2.922875|1.834498|0.052116|1.704800|1.527546|1.542149|1.428451|2.816314|2.380818|4.278898|2.723966|0.073761|2.535163|2.653076|2.360034|2.048806|1.891165|1.947208|2.199874|2.465209|3.920282|0.084083|3.054548|3.571148|0.090429|4.613726|4.050681|6.522267|5.683506|4.960939|5.622153|8.908805|17.724061|8.917834|0.032743|0.031360|0.030626|0.035220|0.033527|0.036251|0.038400|0.041513|0.038907|0.044593|0.050052|0.046020|0.040418|0.039590|0.044283|0.044769|0.038878|0.037048|0.040987|0.056069|0.072177|0.061560|0.054242|0.047907|0.050016|0.061171|0.124012|0.216041|0.500000| 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