Version2.0 2020-01-21T15:06:12Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc2c(c1C)nc(s2)N3CCN(CC3)C(=O)c4ccc(cc4)S(=O)(=O)N5C[C@H](C[C@@H](C5)C)C C09345440 RHF 6-31G(d) (6D,7F) Cc1ccc2c(c1C)nc(s2)N3CCN(CC3)C(=O)c4ccc(cc4)S(=O)(=O)N5C[C@H](C[C@@H](C5)C)C C01[X(C27H34N4O3S2)] 204 C1 616 C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)c1sc2c(n1)c(C)c(cc2)C C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)c1sc2c(n1)c(C)c(cc2)C C[C@H]1C[C@H](C)CN(C1)[S](=O)(=O)c2ccc(cc2)C(=O)N3CCN(CC3)c4sc5ccc(C)c(C)c5n4 InChIKey=CHZPWOCJQRMGHG-OALUTQOASA-N InChI=1S/C27H34N4O3S2/c1-18-15-19(2)17-31(16-18)36(33,34)23-8-6-22(7-9-23)26(32)29-11-13-30(14-12-29)27-28-25-21(4)20(3)5-10-24(25)35-27/h5-10,18-19H,11-17H2,1-4H3/t18-,19-/m0/s1 InChI=1/C27H34N4O3S2/c1-18-15-19(2)17-31(16-18)36(33,34)23-8-6-22(7-9-23)26(32)29-11-13-30(14-12-29)27-28-25-21(4)20(3)5-10-24(25)35-27/h5-10,18-19H,11-17H2,1-4H3/t18-,19-/m0/s1 Cc1ccc2c(c1C)nc(s2)N3CCN(CC3)C(=O)c4ccc(cc4)S(=O)(=O)N5C[C@H](C[C@@H](C5)C)C C01[X(C27H34N4O3S2)] 204 C01 616 C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)c1sc2c(n1)c(C)c(cc2)C C[C@H]1C[C@H](C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)c1sc2c(n1)c(C)c(cc2)C C[C@H]1C[C@H](C)CN(C1)[S](=O)(=O)c2ccc(cc2)C(=O)N3CCN(CC3)c4sc5ccc(C)c(C)c5n4 InChIKey=CHZPWOCJQRMGHG-OALUTQOASA-N InChI=1S/C27H34N4O3S2/c1-18-15-19(2)17-31(16-18)36(33,34)23-8-6-22(7-9-23)26(32)29-11-13-30(14-12-29)27-28-25-21(4)20(3)5-10-24(25)35-27/h5-10,18-19H,11-17H2,1-4H3/t18-,19-/m0/s1 InChI=1/C27H34N4O3S2/c1-18-15-19(2)17-31(16-18)36(33,34)23-8-6-22(7-9-23)26(32)29-11-13-30(14-12-29)27-28-25-21(4)20(3)5-10-24(25)35-27/h5-10,18-19H,11-17H2,1-4H3/t18-,19-/m0/s1 4093.8616632703 -2279.6153947 1-A 39166.5987 140 476 616 |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|A|A|A|A|A|A|A|A|A|A| -92.20628 -91.97364 -20.55087 -20.55075 -20.54254 -15.60269 -15.60063 -15.59977 -15.55019 -11.36790 -11.35040 -11.28206 -11.28138 -11.27831 -11.27298 -11.27272 -11.27126 -11.26944 -11.26896 -11.26887 -11.26738 -11.26551 -11.26367 -11.26148 -11.26022 -11.23813 -11.23773 -11.23690 -11.23621 -11.23357 -11.22697 -11.22549 -11.22151 -11.21945 -11.21215 -11.21189 -9.17763 -8.98455 -6.86422 -6.86362 -6.86265 -6.66713 -6.66624 -6.66423 -1.47735 -1.41200 -1.35238 -1.32541 -1.27718 -1.26351 -1.23469 -1.19291 -1.14880 -1.10958 -1.08201 -1.07763 -1.07004 -1.06207 -1.05097 -1.03205 -1.01682 -0.99202 -0.95528 -0.95273 -0.94048 -0.93587 -0.91436 -0.90902 -0.89091 -0.86737 -0.86261 -0.82627 -0.82046 -0.80637 -0.78600 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0.92378 0.93034 0.93609 0.93994 0.95003 0.95255 0.95564 0.96078 0.96714 0.97241 0.97919 0.98149 0.98460 0.98860 0.98996 0.99942 1.00862 1.01455 1.01915 1.02296 1.03109 1.03449 1.03765 1.04586 1.05161 1.06028 1.06295 1.07085 1.07535 1.08134 1.08285 1.08747 1.09111 1.09933 1.10052 1.10569 1.10735 1.11410 1.11994 1.12164 1.12367 1.12683 1.12943 1.13457 1.13727 1.14469 1.14732 1.14940 1.15119 1.15593 1.15954 1.16811 1.17430 1.17497 1.18167 1.18514 1.18852 1.18968 1.19150 1.19310 1.20068 1.20142 1.20477 1.21057 1.21160 1.22111 1.22319 1.22769 1.23165 1.23424 1.23594 1.23969 1.24510 1.24706 1.25643 1.25928 1.26411 1.26923 1.28081 1.28224 1.28481 1.29200 1.30148 1.31004 1.31713 1.32073 1.33341 1.34004 1.35130 1.36764 1.38063 1.38238 1.38603 1.39205 1.39743 1.40468 1.41195 1.42500 1.43601 1.44485 1.44596 1.46610 1.46961 1.48692 1.49705 1.50549 1.50727 1.51443 1.52456 1.53654 1.54202 1.55349 1.55965 1.57483 1.57815 1.58854 1.59487 1.59755 1.60963 1.61955 1.63482 1.63789 1.64605 1.65294 1.66725 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10.03221
-0.1061 -3.6754 -1.3012 3.9003 |XX|YY|ZZ|XY|XZ|YZ| -204.4740 -247.6365 -227.2972 -23.4209 -0.7513 5.9824
|XX|YY|ZZ|XY|XZ|YZ| 21.9952 -21.1673 -0.8280 -23.4209 -0.7513 5.9824
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 89.7758 -12.1968 -6.4982 -119.4683 -108.9500 49.2639 56.3104 -5.3472 -16.9298 7.5995
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835.7602 851.8026 859.5152 868.5564 904.4199 925.4561 933.1222 937.8732 958.1214 962.8541 967.2304 969.6054 994.3827 1009.2209 1014.4519 1033.2482 1035.2646 1062.6113 1065.3066 1069.7879 1092.8959 1103.7357 1108.6187 1109.8254 1118.3991 1121.4663 1124.2096 1139.5793 1146.7246 1149.6023 1176.8200 1180.6002 1193.0515 1195.0957 1203.7053 1205.2804 1217.5033 1236.3204 1243.3342 1264.3688 1267.8432 1282.6305 1292.9584 1298.8051 1303.1516 1304.9633 1308.9589 1310.8909 1319.2175 1341.5250 1354.7368 1364.1558 1368.0169 1375.8123 1401.4605 1420.4136 1426.0217 1445.1517 1445.8351 1452.3639 1460.6361 1470.0519 1487.0249 1494.3763 1507.7935 1512.4836 1514.0446 1535.6623 1539.1905 1549.3275 1550.2950 1556.4323 1561.1576 1566.7889 1570.1456 1570.5981 1573.1979 1576.0886 1578.0624 1595.2754 1629.9580 1630.1256 1630.3986 1633.7930 1634.7579 1640.9478 1641.0776 1644.0358 1645.2543 1647.5639 1648.1557 1648.8306 1650.4236 1652.9077 1655.2026 1665.7966 1677.2206 1741.9284 1762.0753 1773.1324 1797.6382 1812.9935 1923.0581 3159.7776 3169.2244 3178.3006 3178.4582 3194.1161 3197.8393 3200.5236 3201.1123 3204.4231 3211.1740 3220.8460 3230.8915 3235.8173 3238.8449 3246.0975 3252.4461 3260.5493 3262.9427 3267.4693 3282.4978 3294.3164 3296.7420 3328.8935 3331.2068 3332.2891 3341.1811 3344.5787 3356.1579 3361.2075 3383.6759 3384.2628 3399.5954 3415.8364 3417.6902 5.2224 5.4694 4.7651 5.3308 4.3545 4.7901 5.2196 4.9296 4.7128 3.7020 3.2249 1.1517 3.5286 3.2501 3.5275 4.9198 2.7860 3.3971 1.2962 3.4462 5.0847 2.0966 1.2628 4.7001 1.1771 4.9007 4.7748 3.7082 3.5269 3.5136 3.2698 2.6279 3.6207 3.7255 4.0054 3.8195 2.8407 3.9302 3.6034 4.5080 4.1619 4.0243 3.3778 3.1488 1.8582 3.8571 3.2504 3.1369 5.3615 5.2636 5.1036 3.5821 4.8321 4.5224 4.2094 3.9325 7.3106 3.2655 6.6896 6.3016 4.1746 7.6230 4.1264 4.9107 4.6856 5.7052 5.4375 6.2662 3.0680 3.7005 4.8929 1.2753 1.7568 1.9886 3.2225 1.4498 5.0134 1.6289 1.4133 2.8884 2.1458 1.4507 2.1816 2.7018 1.3116 1.7761 2.4605 1.5781 2.7162 1.5462 1.4897 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6.3544 6.3673 6.3971 6.4432 6.3046 6.2847 6.4068 6.2895 6.3985 6.6386 6.5927 6.7621 6.6285 6.8400 6.8678 6.8993 6.9185 6.9338 6.9920 7.0342 7.0139 7.1592 7.1350 7.1491 7.1877 7.2145 7.2708 7.2490 7.3951 7.3639 7.4272 7.5235 7.5406 0.2985 0.4941 0.3454 0.3515 0.2238 0.2946 2.3277 2.2039 3.3598 1.2620 0.2975 0.2382 0.9798 0.8814 1.3263 1.7349 0.0880 2.3701 0.5331 2.6106 3.0810 0.2809 0.0985 2.3007 0.2489 0.5481 3.6092 8.6409 8.7802 2.3288 1.0471 0.1610 3.3009 0.4798 6.4956 5.7003 1.7622 4.0393 3.9618 0.5290 4.1848 1.2079 9.5001 24.7821 3.8299 23.9963 0.1875 9.5935 2.0490 0.9409 3.4887 0.6586 7.4109 12.6256 53.8893 9.5324 77.0730 7.1830 0.6355 5.1609 78.3910 55.7311 71.6453 3.9910 82.0429 1.0171 7.5585 3.2905 36.6453 111.4714 83.8227 29.1513 2.4666 18.5640 16.4502 13.1883 18.0718 4.9811 3.5534 11.4800 81.2034 6.6552 26.5318 3.7223 0.1056 0.5981 12.0843 28.2026 166.7598 4.8719 2.8072 3.1583 0.5522 68.6969 28.9509 43.2250 0.8627 8.3554 0.5495 27.0407 16.2214 32.3884 32.3300 52.6614 32.0479 2.8679 141.2850 61.8922 67.3161 9.3792 4.1328 18.5209 42.3042 11.7861 41.7206 3.2958 11.2870 16.6396 72.0932 116.5255 329.9887 84.6788 16.1841 56.1491 9.5639 105.4504 7.9671 10.8491 165.3666 13.2590 0.4935 41.7020 118.6245 8.4671 6.0555 3.3317 3.7700 16.1125 32.7386 1.0871 1.2929 6.8910 248.2966 54.5761 11.8367 19.7445 335.5544 3.4078 11.3883 40.1661 2.3402 13.8588 1.6934 4.0060 5.4123 4.9645 18.1340 6.7850 17.1833 2.8556 5.8029 60.1314 13.8623 23.2333 658.5281 6.1997 98.4196 39.1457 8.4828 354.5008 12.9133 35.4232 18.7170 32.3245 32.3573 39.9802 4.4198 67.4847 81.5730 36.0194 16.6882 12.4548 43.8096 62.7004 19.2172 39.9109 53.4439 39.6444 66.4312 29.7163 35.4159 35.5839 10.4142 10.5633 3.6039 5.7693 24.4801 3.7708 12.1244 26.7301 6.4807 1.1702 0.9034 0.5084 1.7383 0.4921 3.4792 3.0041 1.0987 1.5883 0.9929 1.5796 4.3974 0.4167 0.8908 0.5156 0.5507 0.0233 0.2169 0.8040 0.1970 0.9461 0.3715 1.2324 1.0179 0.3348 0.0240 2.9766 0.1054 2.6246 0.6247 1.4099 0.7533 1.7438 1.3822 0.2208 2.4182 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MUNgauss RevisionA2.0 retrievium 21-Jan-2020 DUDE Cc1ccc2c(c1C)nc(s2)N3CCN(CC3)C(=O)c4ccc(cc4)S(=O)(=O)N5C[C@H](C[C@@H](C5)C)C C09345440 RHF 6-31G(d) (6D,10F) C1 526.207235 |X|Y|Z| 187.432059 53.646432 34.027776
69.942222 29 6 7 16 23 4 2
|36.858105| |12.596344|36.858105| |7.587046|13.648723|36.858105| |5.016535|7.849429|13.790782|36.858105| |4.461946|6.908348|8.064743|13.805870|36.858105| |5.026560|7.962450|6.915731|7.862459|13.673673|36.858105| |7.549651|13.654682|7.870690|6.736329|7.868650|13.647378|36.858105| |6.460073|7.512889|4.993037|4.391116|5.004352|7.548169|12.612496|36.858105| |3.820310|5.146197|4.603002|5.235159|8.118875|13.714390|7.727696|6.448362|53.358707| |3.177902|4.151805|4.061919|4.972794|7.762170|8.632621|5.391439|4.519942|20.370966|36.858105| |3.173134|4.240721|4.698245|6.728200|10.868316|7.401327|4.863039|3.755948|10.016061|10.754891|388.023441| |2.617902|3.222012|3.145647|3.692162|5.020035|5.411593|3.991726|3.657423|11.125330|13.931389|49.578579|53.358707| |2.265811|2.729925|2.757576|3.268074|4.177396|4.116965|3.196335|2.914597|7.179700|7.775952|44.009064|17.783537|36.858105| |1.966290|2.298368|2.301072|2.641527|3.212297|3.224921|2.646220|2.500044|5.437820|5.144326|30.503278|10.635996|12.514857|36.858105| |1.910331|2.195811|2.143911|2.390715|2.879487|3.026215|2.557437|2.511551|5.195828|4.539849|25.287261|9.150710|7.744689|13.098575|53.358707| |2.106148|2.426922|2.311046|2.542023|3.114026|3.437988|2.910061|2.935912|6.213949|5.171427|26.202958|10.578118|6.620986|7.889650|17.793130|36.858105| |2.495778|2.963227|2.780491|3.089315|3.977067|4.616693|3.716919|3.708688|9.445933|7.934770|33.379447|17.790306|7.770065|6.651799|10.540876|12.496420|36.858105| |1.749152|1.980290|1.934705|2.132010|2.507943|2.622217|2.271910|2.252721|4.348954|3.655605|21.393089|6.639567|5.726221|7.873898|19.012342|7.621337|5.614613|36.858105| |1.669768|1.888512|1.870020|2.072784|2.408308|2.459160|2.133158|2.084590|3.968157|3.364330|20.758187|5.849553|5.433705|7.018712|11.514519|5.357830|4.525980|15.854085|73.516695| |1.653229|1.837911|1.770472|1.909759|2.212047|2.357528|2.103954|2.144635|3.857638|3.075899|18.005683|5.258494|4.091257|5.013824|10.519184|6.361468|4.733153|12.643071|14.477000|36.858105| |1.600411|1.762245|1.692766|1.808931|2.070953|2.210211|2.003152|2.056847|3.550776|2.770632|16.505020|4.523942|3.492625|3.930271|7.182099|4.694053|3.994976|7.670734|11.769750|13.720026|36.858105| |1.497212|1.624307|1.550975|1.635187|1.846686|1.980311|1.832355|1.909032|3.125547|2.380060|14.360468|3.759939|2.819159|3.111640|5.403811|3.786856|3.293941|5.059638|8.044442|7.926231|13.775068|36.858105| |1.444728|1.558644|1.484252|1.557678|1.752747|1.884432|1.755350|1.841270|2.964533|2.242346|13.541271|3.532396|2.602800|2.926160|5.081055|3.685597|3.099047|4.461605|6.875935|6.888684|7.961923|13.729566|36.858105| |1.480921|1.607567|1.533400|1.618079|1.832503|1.969280|1.818530|1.899637|3.128820|2.389615|14.307132|3.840353|2.817579|3.292176|5.915458|4.328251|3.396289|5.015044|7.296863|7.921773|6.860750|7.899836|13.740161|36.858105| |1.583275|1.744023|1.672582|1.788496|2.054487|2.199469|1.989231|2.049859|3.564354|2.791858|16.449016|4.677127|3.494964|4.317193|8.551701|5.892808|4.197130|7.521384|9.729987|13.717543|7.928905|6.862906|7.963458|13.764368|36.858105| |1.317965|1.400955|1.331398|1.381313|1.531169|1.643542|1.559084|1.647684|2.530266|1.884151|11.602032|2.878578|2.100626|2.302333|3.782199|2.798987|2.460936|3.150193|5.084193|4.192599|4.726152|6.941887|10.711566|6.947374|4.726961|388.023441| |1.310641|1.387097|1.313214|1.356474|1.500922|1.617734|1.543682|1.642484|2.485209|1.837075|11.292462|2.792712|2.006441|2.202908|3.595475|2.736584|2.389839|2.874191|4.571745|3.700052|3.844363|4.975427|7.368600|6.499782|4.430283|94.755762|73.516695| |1.324953|1.400797|1.326592|1.368602|1.511014|1.626997|1.555662|1.653099|2.488353|1.835189|11.330316|2.763633|2.007924|2.144361|3.467324|2.581953|2.356590|2.881117|4.739201|3.698610|4.417853|6.471421|7.366242|4.985693|3.849831|94.771308|13.604290|73.516695| |1.199942|1.274354|1.222961|1.272763|1.400026|1.481901|1.403098|1.464036|2.255875|1.697051|10.671079|2.582452|1.923478|2.124495|3.399480|2.432318|2.144258|2.853995|4.776592|3.629113|4.025279|5.392958|6.932775|5.365524|4.006587|82.780992|13.717866|13.718195|53.358707| |1.158758|1.232519|1.188286|1.240463|1.362559|1.433565|1.352968|1.403159|2.178039|1.649530|10.444433|2.518868|1.886424|2.119001|3.362062|2.384153|2.067326|2.781932|4.654327|3.452503|3.573176|4.367078|5.639808|5.224037|3.986633|50.794745|11.626102|8.860285|17.691064|36.858105| |1.060378|1.121969|1.085948|1.130634|1.231118|1.286865|1.220756|1.261446|1.932141|1.461162|9.391534|2.203268|1.655670|1.838854|2.839124|2.008824|1.776921|2.317109|3.965413|2.742392|2.844985|3.334833|3.928411|3.683933|3.044881|34.421378|8.184727|6.984796|10.561827|12.436425|36.858105| |1.036583|1.098016|1.066273|1.112412|1.209696|1.259098|1.192025|1.226449|1.886908|1.432725|9.258801|2.162030|1.630857|1.824379|2.792326|1.965108|1.729337|2.257858|3.873834|2.623313|2.650144|3.001623|3.504042|3.454790|2.938064|28.561906|7.063352|5.846772|7.713906|9.007923|17.512043|0.500000| |1.033613|1.094191|1.063164|1.108634|1.203899|1.251920|1.186256|1.219529|1.872230|1.420479|9.202326|2.134899|1.621350|1.787585|2.731559|1.904755|1.706899|2.261710|3.964488|2.637541|2.816775|3.276263|3.603887|3.259187|2.799430|30.141363|6.636228|6.633807|9.072466|7.596931|12.402820|0.247695|36.858105| |1.067975|1.129227|1.093547|1.137686|1.236666|1.291460|1.226639|1.266167|1.933376|1.459993|9.412797|2.188235|1.656349|1.803321|2.772770|1.943301|1.762490|2.320627|4.076027|2.741506|3.061356|3.701877|3.927607|3.320264|2.830094|34.419927|6.987496|8.177972|10.570369|6.487706|7.451026|0.152735|12.428872|36.858105| |1.047467|1.101952|1.063700|1.101150|1.193487|1.250515|1.195273|1.240214|1.865355|1.398377|9.010485|2.081032|1.559997|1.683387|2.581201|1.836551|1.679637|2.128852|3.708490|2.502848|2.781186|3.370967|3.617806|3.067594|2.600194|33.641194|7.062360|8.361860|9.613509|5.730179|6.747238|0.138240|8.872992|17.545912|0.500000| |1.168165|1.241544|1.197578|1.249026|1.369297|1.439233|1.360392|1.409234|2.178939|1.647100|10.467304|2.495760|1.885917|2.065077|3.253894|2.278761|2.044353|2.784132|4.821989|3.445697|4.006534|5.253666|5.629582|4.336409|3.546526|50.807211|8.862487|11.644441|17.694112|7.730851|6.471610|0.136929|7.582869|12.451939|0.249540|36.858105| |1.034221|1.093438|1.063865|1.108147|1.199516|1.244700|1.181701|1.212292|1.852024|1.402689|9.138917|2.090324|1.596950|1.722660|2.607176|1.807823|1.663087|2.189702|3.938709|2.513028|2.836630|3.294803|3.276415|2.809074|2.505121|26.348383|5.445345|6.629115|6.817739|4.398619|4.872105|0.113691|7.520833|12.459266|0.247774|7.583419|36.858105| |1.024494|1.076381|1.037850|1.073347|1.163395|1.220593|1.167985|1.214677|1.822002|1.364584|8.777023|2.035809|1.511101|1.655007|2.538393|1.832359|1.643410|2.033179|3.459502|2.379691|2.471844|2.895939|3.391847|3.174034|2.633533|31.470287|8.050237|6.716432|8.433556|7.514511|12.438286|0.248216|7.439234|5.947576|0.181941|5.085022|4.141530|36.858105| |17.540997|8.812990|5.890209|4.288154|3.981086|4.584117|6.692924|6.527293|4.962239|3.023401|20.949173|3.442003|2.199275|1.912940|2.558848|2.071580|2.458505|1.739693|2.955293|1.657395|1.620875|1.522862|1.463092|1.487447|1.581210|9.525775|2.360699|2.411965|1.654857|1.167215|1.068087|0.028905|1.043223|1.083179|0.029568|1.186127|1.050236|1.033989|0.500000| |17.541257|8.812815|5.885660|4.286053|3.981495|4.586227|6.698110|6.535982|4.962311|3.024505|20.947842|3.450097|2.177884|1.919193|2.557114|2.092586|2.451107|1.713438|2.886880|1.631422|1.572001|1.479009|1.439464|1.482371|1.578755|9.376253|2.348261|2.348902|1.630353|1.159665|1.060914|0.028836|1.029362|1.060959|0.028962|1.159595|1.023110|1.028179|0.302745|0.500000| |17.585362|8.850939|7.349682|4.795194|4.012391|4.191667|5.570699|4.737957|4.443530|2.827079|20.842870|3.215193|2.090162|1.825347|2.396377|1.913399|2.230972|1.621317|2.773576|1.530007|1.483835|1.390644|1.342333|1.374244|1.466241|8.746411|2.172498|2.197642|1.534973|1.091753|1.004026|0.027312|0.981084|1.011909|0.027569|1.101375|0.983168|0.970485|0.302056|0.302049|0.500000| |7.088969|8.915257|17.713903|8.973305|5.706193|4.973923|5.623389|4.078603|4.973209|3.324759|27.397603|3.655503|2.415768|2.055781|2.612816|2.046696|2.404767|1.750889|3.028349|1.612093|1.549044|1.428806|1.370301|1.411336|1.529007|8.812488|2.174620|2.198574|1.558003|1.113781|1.023452|0.027944|1.003785|1.031398|0.027910|1.123387|1.006075|0.980517|0.153709|0.153531|0.228890|0.500000| |4.094966|5.601276|8.896207|17.725496|8.872326|5.600231|4.881289|3.519290|5.770439|4.286872|44.035528|4.559499|3.104146|2.537332|3.080883|2.353840|2.786010|2.033473|3.558712|1.812476|1.717759|1.552626|1.478698|1.535562|1.696887|9.346451|2.290395|2.311237|1.661787|1.194140|1.093288|0.029956|1.075294|1.100500|0.029541|1.202766|1.075997|1.036183|0.099447|0.099385|0.114161|0.215593|0.500000| |6.524798|6.665893|4.563763|3.934350|4.289476|5.876868|8.836096|17.535410|7.007691|3.861756|23.548989|4.402312|2.619099|2.304955|3.156901|2.710948|3.290324|2.079964|3.416224|1.997804|1.907546|1.788993|1.747634|1.812822|1.940737|11.237080|2.828909|2.806616|1.915604|1.355898|1.223055|0.033112|1.177251|1.216992|0.033207|1.347816|1.161776|1.183325|0.173804|0.212889|0.133465|0.107629|0.089731|0.500000| |6.546843|6.677894|4.568437|3.935460|4.286571|5.868830|8.836486|17.537181|6.999503|3.855237|23.531321|4.380840|2.654027|2.292139|3.157405|2.663256|3.304717|2.125738|3.528544|2.044568|1.995507|1.867141|1.789401|1.821017|1.943954|11.491811|2.849467|2.914864|1.954812|1.367379|1.233564|0.033201|1.197618|1.250357|0.034117|1.389371|1.201485|1.191757|0.213391|0.174730|0.133751|0.107762|0.089759|0.302580|0.500000| |4.744285|5.567421|4.172857|3.951465|4.764310|7.304935|8.881500|17.645133|10.440649|5.092824|27.467720|5.735667|3.232474|2.775996|3.876145|3.442017|4.501581|2.528467|4.090457|2.417599|2.303756|2.127301|2.051792|2.126208|2.308441|12.904530|3.217501|3.228027|2.170197|1.523658|1.357974|0.036595|1.308089|1.360314|0.036961|1.526618|1.295697|1.304219|0.133638|0.133663|0.104203|0.095991|0.090047|0.301585|0.301664|0.500000| |2.219062|2.652103|2.674826|3.136778|3.928951|3.887048|3.081386|2.830251|6.599702|6.586215|39.071581|12.297659|17.499219|8.855893|9.335374|5.710306|6.828559|5.910885|10.702576|4.208337|3.756161|2.973784|2.662504|2.803437|3.434879|15.231951|3.577028|3.689255|2.671878|1.900750|1.670056|0.045404|1.652958|1.706439|0.044546|1.951259|1.659422|1.521249|0.060658|0.058658|0.056983|0.065466|0.083005|0.069829|0.073210|0.086822|0.500000| |2.271737|2.760384|2.876297|3.515750|4.455431|4.089537|3.150045|2.784357|6.649212|7.240530|52.305024|12.421775|17.621971|8.951772|7.683794|4.980185|5.651684|4.487441|7.938962|3.375861|2.948486|2.446986|2.283048|2.460220|2.974829|13.407898|3.219776|3.210916|2.381297|1.727887|1.535601|0.042236|1.508093|1.532333|0.040161|1.722111|1.485998|1.406374|0.060552|0.060358|0.058862|0.070261|0.095218|0.070087|0.070329|0.083513|0.301334|0.500000| |1.807935|2.091846|2.117503|2.425037|2.870808|2.822766|2.359248|2.223941|4.567112|4.187309|26.908877|7.690855|8.873910|17.689414|12.502088|5.704956|4.961980|7.628433|14.573734|4.796565|3.865572|3.051072|2.837463|3.144725|4.060130|15.968316|3.775924|3.719267|2.880820|2.121605|1.855402|0.051326|1.823998|1.833362|0.047182|2.087739|1.768522|1.654865|0.049010|0.048836|0.047066|0.053191|0.065796|0.057185|0.057419|0.067551|0.216816|0.212753|0.500000| |1.954053|2.280853|2.290837|2.629263|3.175938|3.168224|2.611384|2.460503|5.259381|4.909119|29.926886|9.559373|8.902729|17.554573|12.561379|7.163014|5.881253|5.921369|9.316645|4.284542|3.380580|2.789767|2.708297|3.104706|3.992785|15.468846|3.772630|3.572617|2.744209|2.039765|1.780099|0.049459|1.713920|1.710238|0.044538|1.938343|1.625065|1.610518|0.052287|0.053446|0.050501|0.056985|0.070392|0.063987|0.061974|0.075445|0.174123|0.219152|0.300617|0.500000| |2.011318|2.273047|2.137940|2.303457|2.762752|3.090820|2.711807|2.823490|5.428334|4.233840|22.231796|7.690439|4.953513|5.684805|12.370943|17.677762|8.927026|7.189739|8.871399|7.461217|5.425329|4.464175|4.445061|5.346767|7.346331|23.169188|5.683567|5.287178|3.718751|2.644174|2.184062|0.058785|2.050073|2.106588|0.055456|2.512851|1.932965|1.995421|0.055521|0.055801|0.050706|0.052999|0.059192|0.072913|0.072231|0.092507|0.128197|0.109229|0.127391|0.145048|0.500000| |2.088682|2.401538|2.293989|2.520935|3.066471|3.358551|2.859002|2.872787|5.931915|4.899117|25.650886|9.422820|5.801593|7.106786|12.512563|17.560647|8.873587|5.813160|7.857320|5.066769|3.846608|3.261941|3.298224|3.961187|5.189268|18.448366|4.628432|4.209852|3.108422|2.283060|1.939885|0.053252|1.821587|1.833577|0.048316|2.119079|1.699722|1.779184|0.056424|0.058261|0.052841|0.056580|0.065030|0.075283|0.071376|0.092586|0.132337|0.131131|0.144940|0.214664|0.302304|0.500000| |2.722652|3.226357|2.932090|3.178999|4.091363|5.077995|4.189411|4.374771|10.821116|7.534995|31.614659|12.525443|5.671579|5.003313|7.666454|8.886398|17.675873|4.387970|6.465332|3.999402|3.478316|3.008390|2.900824|3.172524|3.753118|16.857338|4.171469|4.055190|2.788530|1.975038|1.705300|0.046080|1.626683|1.678744|0.044831|1.934754|1.577004|1.596497|0.074340|0.075369|0.066535|0.069899|0.078063|0.108011|0.104933|0.155884|0.140541|0.127735|0.109512|0.132885|0.212229|0.218021|0.500000| |2.462169|2.893836|2.703163|2.969943|3.755789|4.359991|3.604562|3.648204|8.495396|6.719308|30.606337|12.340151|6.838971|5.716452|9.304712|8.844943|17.480462|5.758426|8.459292|4.989215|4.473599|3.615005|3.265090|3.438088|4.167440|18.297742|4.347966|4.470203|3.026600|2.103915|1.805928|0.048391|1.751326|1.833542|0.048525|2.145074|1.739844|1.669520|0.068625|0.066395|0.061159|0.065269|0.074521|0.088141|0.093472|0.122676|0.197030|0.140299|0.127965|0.133345|0.218395|0.173868|0.302185|0.500000| |1.628181|1.799367|1.737293|1.864145|2.132906|2.259291|2.038804|2.073181|3.608518|2.834492|17.080547|4.577952|3.621114|3.913925|6.754710|4.314663|3.925390|7.172623|12.620995|8.934315|17.747373|8.920238|5.654442|4.948186|5.649145|27.764485|5.730505|6.860866|4.709498|3.076039|2.548250|0.066194|2.586457|2.838248|0.071835|3.600276|2.726506|2.236899|0.045962|0.044067|0.042010|0.044161|0.049293|0.052920|0.056261|0.064111|0.113023|0.084979|0.109141|0.091396|0.130838|0.097925|0.093727|0.126577|0.500000| |1.451903|1.564149|1.492929|1.564822|1.752080|1.875572|1.752342|1.829741|2.919863|2.202666|13.467982|3.402301|2.547066|2.732614|4.548491|3.216088|2.925536|4.122963|6.894852|5.639636|8.911779|17.758172|8.915007|5.634901|4.950357|47.163856|8.162194|13.175710|7.265100|4.082606|3.248734|0.079863|3.300718|3.930215|0.100394|5.663970|3.577605|2.872266|0.041259|0.039735|0.037552|0.038366|0.041330|0.047591|0.050250|0.056214|0.075490|0.062227|0.075011|0.068315|0.102475|0.077932|0.075165|0.090196|0.214349|0.500000| |1.425259|1.537286|1.464961|1.538049|1.730160|1.858185|1.730214|1.814051|2.922976|2.215117|13.386457|3.507667|2.544480|2.955793|5.107715|3.838672|3.052669|4.080744|6.096693|5.636993|4.948965|5.634445|8.918769|17.758925|8.907081|47.217430|13.285503|8.187523|7.208364|5.592517|3.895731|0.103030|3.273536|3.228538|0.084248|4.047996|2.681106|3.414652|0.039664|0.039865|0.036806|0.037587|0.040589|0.048601|0.048209|0.056129|0.069339|0.062719|0.078268|0.079655|0.128525|0.102345|0.081184|0.084033|0.107498|0.124136|0.500000| |1.596795|1.765438|1.698983|1.824574|2.100661|2.238772|2.013108|2.061098|3.633291|2.873646|16.959938|4.867260|3.620186|4.668860|9.175433|6.403820|4.282957|6.931265|9.023502|8.902417|5.640545|4.947757|5.660486|8.940764|17.730186|27.801244|6.898496|5.745791|4.683429|3.573000|2.815615|0.077324|2.562691|2.529580|0.065034|3.048315|2.254675|2.460539|0.043953|0.044418|0.041109|0.043107|0.048161|0.054599|0.053704|0.064365|0.095141|0.086323|0.119550|0.125871|0.208753|0.170435|0.107187|0.111832|0.124209|0.107497|0.215108|0.500000| |1.181776|1.264682|1.224607|1.286468|1.418117|1.484899|1.390066|1.431267|2.265668|1.733839|10.990506|2.675358|2.030635|2.321008|3.701230|2.560825|2.185826|3.117912|5.242881|3.889762|3.937142|4.645514|5.874219|5.752310|4.525242|43.324446|9.622487|7.835363|12.334608|17.474145|8.821958|0.222879|6.822080|5.714620|0.132673|6.976790|4.236694|5.497217|0.032974|0.032780|0.030940|0.031831|0.034475|0.038302|0.038593|0.043212|0.056789|0.051559|0.065201|0.061870|0.078315|0.067966|0.057301|0.061577|0.093151|0.116252|0.164612|0.112327|0.500000| |1.177376|1.250357|1.201223|1.250898|1.375342|1.453664|1.375527|1.433764|2.212126|1.667293|10.499388|2.544644|1.882751|2.117261|3.373002|2.441193|2.101813|2.727363|4.475546|3.380255|3.386338|4.071537|5.491173|5.493383|4.070070|50.034129|14.116233|8.444031|12.472977|17.664499|8.832835|0.211395|5.524470|4.878114|0.128647|5.644658|3.557428|7.088430|0.032893|0.032871|0.030760|0.031248|0.033365|0.038668|0.038686|0.043347|0.052189|0.047888|0.058191|0.057214|0.075842|0.065731|0.056331|0.058840|0.080387|0.103675|0.180609|0.103710|0.300739|0.500000| |1.043441|1.109381|1.082323|1.134046|1.233337|1.276412|1.202614|1.228893|1.911756|1.461537|9.502542|2.208311|1.695861|1.886495|2.873155|1.969616|1.754585|2.403874|4.267038|2.779147|2.945348|3.338721|3.598327|3.317099|2.922324|27.860024|6.092852|6.092328|7.883969|6.825569|8.856193|0.223007|17.485321|8.881084|0.174294|6.810003|7.014186|5.481765|0.029192|0.028808|0.027535|0.028368|0.030631|0.032880|0.033440|0.036607|0.048073|0.043861|0.054019|0.050121|0.058426|0.052261|0.046076|0.049926|0.075402|0.091989|0.091071|0.074497|0.200862|0.139772|0.500000| |0.976387|1.030009|1.002481|1.043064|1.126902|1.168517|1.111205|1.140957|1.736055|1.314512|8.579426|1.960991|1.487612|1.628602|2.456777|1.719627|1.555650|2.009394|3.541077|2.294815|2.432208|2.769944|2.997275|2.757823|2.419077|24.793995|5.653221|5.651621|6.757673|5.515838|8.807894|0.209911|17.533872|8.822071|0.214479|5.512788|6.845349|6.958196|0.027371|0.027020|0.025814|0.026376|0.028164|0.030672|0.031175|0.033838|0.042078|0.038697|0.046198|0.043577|0.051020|0.045942|0.041358|0.044238|0.062964|0.078040|0.077493|0.062441|0.139618|0.123574|0.303494|0.500000| |1.193155|1.265181|1.216388|1.264516|1.385542|1.462029|1.387350|1.443340|2.210980|1.660873|10.525710|2.501218|1.878935|2.025565|3.188954|2.255867|2.058393|2.724704|4.723770|3.360554|4.061467|5.478555|5.457455|4.040120|3.357629|49.984715|8.449204|14.139524|12.479076|5.645417|4.878175|0.108359|5.525264|8.851862|0.219559|17.664281|6.875091|4.265169|0.033806|0.032842|0.031209|0.031688|0.033745|0.038228|0.039756|0.043451|0.054440|0.047551|0.056593|0.052493|0.069326|0.057768|0.054262|0.060744|0.103661|0.181280|0.102943|0.079688|0.143075|0.127522|0.139548|0.123743|0.500000| |1.192865|1.275616|1.235906|1.297163|1.426937|1.492502|1.399398|1.439015|2.268505|1.732249|11.025404|2.648898|2.031532|2.249899|3.556684|2.429526|2.159807|3.124251|5.500242|3.884728|4.576553|5.830048|5.872584|4.600791|3.896339|43.377357|7.831411|9.665180|12.314039|6.950211|5.673347|0.130057|6.777858|8.822127|0.174708|17.459328|7.006446|4.263986|0.033569|0.032798|0.031252|0.032151|0.034774|0.038084|0.039288|0.043337|0.058660|0.051387|0.063931|0.058172|0.073871|0.062322|0.056037|0.063034|0.114189|0.168715|0.114862|0.091910|0.207152|0.142887|0.199195|0.139067|0.300619|0.500000| |0.976818|1.029408|1.003277|1.043015|1.123644|1.162733|1.107391|1.134667|1.719922|1.300662|8.532139|1.926671|1.469668|1.579856|2.365545|1.646657|1.522096|1.959718|3.528101|2.211636|2.446846|2.781123|2.795730|2.463693|2.219202|22.461391|4.838027|5.631219|5.625636|3.833944|4.501822|0.108508|6.860801|8.794810|0.213076|5.503035|17.552963|4.011689|0.027533|0.026866|0.025863|0.026436|0.028193|0.030301|0.031256|0.033546|0.042260|0.038240|0.045063|0.041668|0.048605|0.043334|0.040275|0.044004|0.065647|0.082678|0.066338|0.056358|0.101861|0.088754|0.174019|0.204668|0.141000|0.141847|0.500000| |1.050799|1.109068|1.077008|1.119282|1.210688|1.259056|1.198567|1.232419|1.870871|1.411329|9.183970|2.093849|1.594438|1.701216|2.574241|1.794742|1.669681|2.162998|3.895780|2.479239|2.858002|3.343117|3.226034|2.712367|2.430995|25.972824|5.292195|6.930885|6.283887|3.848719|4.035157|0.095065|5.469340|8.763384|0.213646|6.911263|17.542377|3.616290|0.029745|0.028824|0.027733|0.028294|0.030146|0.032727|0.034081|0.036576|0.046319|0.041148|0.048355|0.044359|0.053387|0.046587|0.044033|0.048928|0.077492|0.104567|0.071128|0.060411|0.102400|0.089274|0.141969|0.140297|0.205455|0.173995|0.301856|0.500000| |1.047515|1.112392|1.086606|1.137268|1.232978|1.273536|1.202266|1.226134|1.897907|1.447969|9.466624|2.168208|1.674899|1.818029|2.742166|1.871744|1.715063|2.330062|4.256137|2.650498|2.989551|3.385423|3.294991|2.861901|2.606061|24.934502|5.156413|6.129957|6.293840|4.237122|4.526573|0.110450|6.800313|8.763039|0.173469|6.838029|17.529706|3.676422|0.029491|0.028723|0.027681|0.028523|0.030748|0.032561|0.033678|0.036401|0.048491|0.043319|0.052364|0.047440|0.055206|0.048761|0.044816|0.049830|0.080511|0.100643|0.074899|0.065147|0.120420|0.095032|0.208447|0.167441|0.167109|0.207896|0.301736|0.301232|0.500000| |1.042956|1.093360|1.050717|1.083582|1.174642|1.237269|1.187856|1.241093|1.847110|1.376466|8.820614|2.047309|1.512265|1.642266|2.528372|1.838303|1.662276|2.030170|3.447900|2.393903|2.535787|3.034955|3.536222|3.187444|2.619394|35.078902|8.774625|7.796962|9.299706|6.813538|8.728244|0.173474|6.611524|6.413560|0.222122|5.570965|4.351456|17.590644|0.029340|0.029061|0.027406|0.027562|0.028991|0.033537|0.033955|0.037056|0.042489|0.038980|0.045436|0.044162|0.055949|0.049236|0.044973|0.047252|0.063897|0.085441|0.093811|0.067080|0.138099|0.177631|0.135849|0.168823|0.135242|0.122194|0.115121|0.109178|0.103511|0.500000| |0.968453|1.015112|0.981443|1.014065|1.094112|1.143229|1.096091|1.136476|1.696307|1.270776|8.239919|1.885226|1.403177|1.529505|2.317366|1.667439|1.507997|1.847420|3.174385|2.121654|2.200772|2.526540|2.868246|2.706254|2.312718|25.375149|6.410354|5.663346|6.440590|5.475720|8.790698|0.212083|6.852429|5.339754|0.165215|4.278790|4.008458|17.542019|0.027143|0.026984|0.025559|0.025834|0.027267|0.030795|0.031021|0.033735|0.039262|0.036497|0.042655|0.041430|0.049945|0.045108|0.040721|0.042521|0.056150|0.070179|0.079876|0.060614|0.123200|0.142700|0.142695|0.210594|0.102533|0.102723|0.113787|0.096511|0.098392|0.301164|0.500000| |1.033326|1.084539|1.043748|1.077962|1.168869|1.229156|1.177978|1.228348|1.835820|1.371609|8.799477|2.045769|1.508404|1.655567|2.542054|1.853772|1.655132|2.009891|3.384454|2.348070|2.392095|2.773465|3.313207|3.208406|2.650128|30.345993|8.438840|6.331554|7.362352|6.813201|8.791810|0.216949|5.448567|4.551433|0.135402|4.243845|3.383423|17.548839|0.028918|0.028903|0.027167|0.027381|0.028869|0.033372|0.033382|0.036670|0.041891|0.039015|0.045697|0.045086|0.056211|0.050443|0.044932|0.046366|0.059757|0.075123|0.099122|0.069770|0.142243|0.210560|0.123486|0.142101|0.101841|0.102451|0.090848|0.084287|0.085887|0.302693|0.301716|0.500000|
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