Version2.2 2021-02-25T18:42:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 16-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(n(c(c1C#N)NC(=O)CSc2[nH]c(nn2)C3CCCC3)C4CCCC4)C C12104363 RHF 6-31G(d) (6D,7F) Cc1c(n(c(c1C#N)NC(=O)CSc2[nH]c(nn2)C3CCCC3)C4CCCC4)C C01[X(C21H28N6O1S1)] 165 C1 495 N#Cc1c(NC(=O)CSc2nnc([nH]2)C2CCCC2)n(c(c1C)C)C1CCCC1 N#Cc1c(NC(=O)CSc2nnc([nH]2)C2CCCC2)n(c(c1C)C)C1CCCC1 Cc1n(C2CCCC2)c(NC(=O)CSc3[nH]c(nn3)C4CCCC4)c(C#N)c1C InChIKey=XSLNFEVOXGKIRE-UHFFFAOYSA-N InChI=1S/C21H28N6OS/c1-13-14(2)27(16-9-5-6-10-16)20(17(13)11-22)23-18(28)12-29-21-24-19(25-26-21)15-7-3-4-8-15/h15-16H,3-10,12H2,1-2H3,(H,23,28)(H,24,25,26) InChI=1/C21H28N6OS/c1-13-14(2)27(16-9-5-6-10-16)20(17(13)11-22)23-18(28)12-29-21-24-19(25-26-21)15-7-3-4-8-15/h15-16H,3-10,12H2,1-2H3,(H,23,28)(H,24,25,26)/f/h23-24H Cc1c(n(c(c1C#N)NC(=O)CSc2[nH]c(nn2)C3CCCC3)C4CCCC4)C C01[X(C21H28N6O1S1)] 165 C01 495 N#Cc1c(NC(=O)CSc2nnc([nH]2)C2CCCC2)n(c(c1C)C)C1CCCC1 N#C[C]1[C]([N](C(=[C]1C)C)C1CCCC1)NC(=O)CS[C]1[N][N]=C(N1)C1CCCC1 CC1=C(C)N([C](NC(=O)CS[C]2[N]N=C(N2)C3CCCC3)[C]1C#N)C4CCCC4 InChIKey=XSLNFEVOXGKIRE-UHFFFAOYSA-N InChI=1S/C21H28N6OS/c1-13-14(2)27(16-9-5-6-10-16)20(17(13)11-22)23-18(28)12-29-21-24-19(25-26-21)15-7-3-4-8-15/h15-16H,3-10,12H2,1-2H3,(H,23,28)(H,24,25,26) InChI=1/C21H28N6OS/c1-13-14(2)27(16-9-5-6-10-16)20(17(13)11-22)23-18(28)12-29-21-24-19(25-26-21)15-7-3-4-8-15/h15-16H,3-10,12H2,1-2H3,(H,23,28)(H,24,25,26)/f/h23-24H 2821.9807020011 -1610.5980546 1-A 21085.8710 110 385 495 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -91.97127 -20.55609 -15.63387 -15.62825 -15.61798 -15.57223 -15.57016 -15.55695 -11.37949 -11.32998 -11.31703 -11.30299 -11.28486 -11.28384 -11.26897 -11.26308 -11.24874 -11.24814 -11.24027 -11.23529 -11.23385 -11.23354 -11.23326 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1629.0575 1631.0433 1635.8622 1638.0575 1641.7739 1642.5419 1644.7887 1644.9718 1645.7576 1649.9132 1662.7333 1671.2812 1671.5812 1709.0517 1728.3339 1795.6250 1797.3231 1993.9643 2593.0230 3193.4862 3198.6552 3199.7112 3204.3387 3210.6766 3220.4038 3220.5613 3227.0212 3236.1926 3242.4910 3248.5040 3251.4566 3253.1040 3260.0173 3263.4315 3264.6754 3269.3023 3269.7336 3271.1361 3283.9700 3293.6211 3295.2746 3309.3529 3319.1358 3320.1118 3331.3710 3829.7333 3913.9251 5.0781 4.1056 4.4894 2.0887 3.5738 4.5554 1.0473 3.8372 3.3678 4.3141 4.9694 3.8446 3.5456 4.4096 5.0161 3.5214 4.9092 4.1136 3.7382 1.2061 2.8840 3.1232 6.2835 4.3864 2.0098 4.3142 3.2578 2.8661 4.3651 5.2750 4.4197 4.6637 4.7463 7.4110 4.3359 1.2139 1.9037 2.7928 10.9736 2.3091 2.3253 8.4228 2.5391 2.4293 5.9985 2.5660 3.1476 3.5983 5.0995 5.6736 10.4951 1.4053 6.9724 5.2059 1.8991 5.1965 2.7519 1.6520 2.3337 2.0608 3.0306 3.3194 2.5352 2.3934 1.8957 2.4391 2.1593 2.2393 1.4695 1.6287 1.2446 5.5663 8.3234 1.5869 1.7217 6.0619 1.5859 2.0610 1.3887 1.5158 3.1198 5.6834 1.8239 2.8636 2.7437 2.5535 2.0523 1.6500 1.1835 1.4753 1.4737 1.4712 2.5258 1.4975 1.3845 1.3141 1.1712 1.2731 1.3429 1.9124 1.8925 1.2656 1.3483 1.4151 1.6068 1.3131 1.4792 1.5334 1.4876 4.9499 2.8661 1.7223 1.5126 3.4717 1.2939 2.3627 1.0980 1.9617 1.0437 1.0806 1.0449 1.0942 1.1214 1.1346 1.2201 1.0961 1.1002 1.1137 1.5943 1.1678 1.1128 6.8859 5.8677 6.3154 7.3296 10.3741 12.6901 1.0720 1.0718 1.0725 1.0420 1.0397 1.0641 1.0648 1.0755 1.0664 1.0714 1.0838 1.1013 1.1028 1.1028 1.0615 1.0925 1.1016 1.0969 1.0981 1.1039 1.1004 1.0955 1.0949 1.0949 1.1053 1.0892 1.0777 1.0828 0.0002 0.0007 0.0019 0.0011 0.0021 0.0047 0.0013 0.0051 0.0067 0.0114 0.0160 0.0152 0.0189 0.0269 0.0322 0.0292 0.0525 0.0671 0.0864 0.0340 0.0837 0.1012 0.2243 0.1775 0.0928 0.2076 0.1648 0.1716 0.3560 0.4428 0.3762 0.4842 0.5591 0.8851 0.6069 0.2016 0.3228 0.4819 1.9623 0.4205 0.4367 1.6625 0.5815 0.5776 1.5454 0.6882 0.9151 1.1221 1.6108 1.9346 3.7005 0.5409 2.7619 2.1771 0.8256 2.3649 1.2842 0.7764 1.1543 1.0568 1.6055 1.8235 1.4021 1.3587 1.1263 1.4882 1.3374 1.4020 0.9408 1.0771 0.8340 3.7330 6.0049 1.1508 1.2768 4.5633 1.2116 1.5758 1.0960 1.2380 2.6032 4.8106 1.5446 2.4495 2.6078 2.4556 2.0018 1.6235 1.1849 1.4845 1.5061 1.5191 2.7165 1.6334 1.5168 1.4664 1.3162 1.5269 1.6240 2.3461 2.3380 1.6042 1.7147 1.8249 2.0780 1.7089 1.9260 1.9989 1.9551 6.7172 3.9265 2.3618 2.1606 5.0517 1.9082 3.5306 1.6576 3.0151 1.6319 1.6937 1.6475 1.7298 1.7808 1.8035 1.9447 1.7475 1.7558 1.7862 2.5970 1.9218 1.8320 11.8501 10.3269 11.9973 13.9503 24.3016 50.2724 6.4411 6.4611 6.4693 6.3037 6.3147 6.5019 6.5073 6.5989 6.5804 6.6368 6.7386 6.8596 6.8758 6.9054 6.6609 6.8604 6.9370 6.9094 6.9228 7.0141 7.0331 7.0086 7.0648 7.1066 7.1787 7.1218 9.3132 9.7733 1.7958 1.3765 1.5823 0.2390 0.3456 0.8415 0.2671 4.2832 0.2616 2.7347 0.4925 13.4404 10.9589 5.0111 0.7111 1.8740 8.7609 0.8992 1.3863 0.1386 0.6844 2.8939 0.0157 6.2782 0.4089 6.3377 1.3293 1.1500 7.0510 6.0922 3.2364 7.1896 5.9077 5.7993 0.3385 87.1201 77.2756 40.6027 13.6709 8.7336 0.7705 3.9955 0.2714 4.5355 9.6798 0.3398 2.0601 3.8537 9.1286 10.7009 0.6322 1.0784 0.8170 19.3160 0.4440 10.5570 2.2606 0.5701 2.9249 0.9898 1.7464 4.2282 0.3681 0.2105 2.6998 11.4081 4.7951 1.7123 2.2996 0.6579 0.5182 5.2245 7.9665 1.5299 1.8873 2.0470 1.4341 1.4122 0.0329 0.0625 0.0024 5.0206 5.0090 2.1814 15.4751 128.1137 87.6461 0.9981 7.1439 1.6350 1.5576 0.7197 44.3147 9.8744 3.2433 7.0585 0.3019 0.0734 6.7109 15.4668 13.7157 0.4434 3.2688 0.1120 28.4952 0.0177 11.5247 14.6197 15.9782 46.4825 113.1003 8.9069 24.4202 34.7685 5.0377 29.4896 27.3474 86.5528 1.0309 0.0045 10.9848 2.5881 2.3580 7.1962 8.9683 4.8052 0.7856 21.7327 199.0478 28.1819 1.7682 145.1266 128.9443 167.3102 25.7106 183.2322 101.1766 14.5185 39.2808 53.3031 44.9904 32.6876 25.2923 37.4972 25.0540 72.0582 35.1264 4.1897 20.2325 25.0187 25.0886 12.2791 46.1221 63.1715 9.7152 34.3892 98.2240 25.9688 29.1553 0.0277 39.4865 0.6104 39.8610 42.3529 80.0064 0.9613 0.9280 0.2990 0.1219 0.7113 0.5201 0.1589 3.1582 0.5435 0.9392 0.7399 0.4891 1.1561 0.5731 0.4322 0.0705 2.3086 1.6859 0.3660 0.3534 0.4847 0.1411 0.3854 1.5068 0.2899 0.7189 0.9025 1.0998 2.4785 1.4672 5.8130 0.9018 0.8325 0.2407 6.6316 0.3218 6.0136 1.6781 2.1714 0.4350 1.0534 5.9828 0.6526 1.0480 8.2247 2.4794 3.1249 1.1534 3.4174 0.8977 0.5265 0.6107 0.1123 2.6608 0.7690 19.6496 5.5047 1.8921 8.8465 3.8931 20.2996 12.1734 2.5075 7.0674 1.8648 2.1951 3.8754 1.3766 1.1739 9.6967 1.4224 11.6327 4.8766 8.3360 3.1024 6.1411 2.7998 8.1448 2.3732 0.1849 5.6049 7.4619 5.0337 3.1652 2.5406 2.4842 7.6487 1.8104 7.8051 5.7667 7.4203 1.4557 20.9913 7.4877 12.4416 7.1513 9.8917 5.8362 6.6306 18.8903 20.2420 6.5213 5.0373 5.7177 9.7349 2.3031 2.2931 2.0808 4.1148 15.5733 15.0793 2.4405 11.3142 7.9993 12.1176 18.1486 10.8514 23.9314 7.0885 25.0718 29.7386 14.3609 7.7980 36.5372 14.5916 11.5748 3.4774 3.3004 1.8502 10.4641 7.3859 75.4941 105.5227 48.7022 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12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 5105.2689 33101.3759 36393.1318 0.99998 -0.00556 -0.00135 0.00556 0.99998 0.00402 0.00132 -0.00403 0.99999 1 0.01697 0.00262 0.00238 0.35351 0.05452 0.04959 12.68 24.15 38.94 43.32 45.70 60.06 67.21 68.67 83.62 96.46 106.47 117.86 136.84 146.44 150.29 170.54 193.87 239.47 285.00 314.65 319.41 337.36 354.18 377.08 402.67 411.19 421.55 458.68 535.30 543.07 546.90 603.94 643.35 647.78 701.28 763.96 771.80 778.62 792.64 799.90 812.36 832.77 897.05 914.02 951.41 970.72 1010.69 1046.73 1053.47 1094.53 1113.02 1162.86 1179.73 1212.15 1235.93 1264.51 1280.47 1285.07 1318.27 1342.33 1364.30 1389.29 1393.96 1412.26 1444.83 1464.13 1475.19 1483.16 1499.76 1524.30 1534.43 1535.02 1592.10 1596.23 1614.17 1626.31 1638.36 1639.00 1665.23 1694.02 1712.23 1724.51 1724.92 1733.60 1827.42 1838.14 1851.21 1859.30 1875.54 1880.32 1894.88 1904.75 1943.90 1957.68 1961.93 1980.08 1987.10 2052.73 2061.36 2076.13 2083.42 2110.32 2113.85 2128.62 2131.64 2138.37 2138.88 2140.12 2148.85 2183.55 2193.93 2195.03 2240.26 2261.09 2276.30 2291.31 2303.03 2323.83 2343.85 2346.71 2353.64 2356.80 2362.15 2363.25 2366.48 2366.75 2367.88 2373.86 2392.30 2404.60 2405.03 2458.94 2486.69 2583.50 2585.95 2868.87 3730.78 4594.71 4602.15 4603.67 4610.33 4619.45 4633.44 4633.67 4642.96 4656.16 4665.22 4673.87 4678.12 4680.49 4690.44 4695.35 4697.14 4703.80 4704.42 4706.44 4724.90 4738.79 4741.17 4761.42 4775.50 4776.90 4793.10 5510.13 5631.27 0.512850 0.540742 0.541686 0.447534 -1610.085205 -1610.057313 -1610.056368 -1610.150521 3.157907D-04 MUNgauss RevisionA2.1 retrievium 25-Feb-2021 DUDE Cc1c(n(c(c1C#N)NC(=O)CSc2[nH]c(nn2)C3CCCC3)C4CCCC4)C C12104363 RHF 6-31G(d) (6D,10F) C1 412.204532 |X|Y|Z| 133.911488 49.928526 25.704251 55.597745 24 6 7 16 18 5 1 |36.858105| |12.682119|36.858105| |7.360526|14.003571|36.858105| |5.137592|8.519587|13.764916|53.358707| |5.146826|8.446173|8.578690|19.127959|36.858105| |7.342269|13.349005|8.557404|11.745556|13.989364|36.858105| |6.038322|7.434310|5.263344|7.234331|7.712674|13.330395|36.858105| |4.840430|5.260377|4.014722|5.515847|5.414399|7.421703|16.742597|53.358707| |3.794152|5.249119|5.329616|10.643486|13.553130|7.676296|6.293871|6.827673|53.358707| |3.291275|4.249333|4.228960|7.599693|7.827577|5.796466|5.396514|6.349473|18.883983|36.858105| |3.335557|4.237000|4.220033|7.229787|6.793571|5.471887|5.035454|5.949558|11.476391|15.988976|73.516695| |2.684289|3.267092|3.228386|5.460321|5.103556|4.206570|4.259107|5.470793|10.752188|12.572526|14.175391|36.858105| |2.286729|2.672767|2.651633|4.272791|3.694303|3.235824|3.305858|4.386695|6.513843|6.994692|11.776378|10.513287|388.023441| |1.966419|2.248276|2.230309|3.524533|2.974864|2.662541|2.758362|3.752276|5.106295|4.689945|7.502893|7.109033|77.095066|36.858105| |1.747773|1.959502|1.942275|3.001794|2.475448|2.265859|2.353312|3.234446|4.052926|3.588360|6.043848|4.766294|49.633295|14.043892|53.358707| |1.701805|1.894403|1.875883|2.872038|2.349431|2.170386|2.252164|3.098110|3.767507|3.352867|5.863085|4.209083|45.592275|9.021497|26.090602|0.500000| |1.622147|1.805468|1.791182|2.750049|2.248567|2.070086|2.152441|2.973032|3.645389|3.077883|5.080514|4.013984|35.165530|8.838924|18.973265|0.248596|36.858105| |1.701020|1.908440|1.895616|2.938079|2.420939|2.207945|2.293931|3.159034|4.001299|3.309022|5.259749|4.480119|35.056209|8.910251|11.995484|0.169497|14.871783|53.358707| |1.930208|2.207042|2.193051|3.472098|2.927093|2.613089|2.707782|3.689899|5.063530|4.337589|6.619143|6.597266|49.517259|14.875736|11.980269|0.169581|8.863171|18.911868|53.358707| |1.443189|1.583789|1.571280|2.375127|1.912158|1.784827|1.854328|2.571799|3.012695|2.485754|4.188578|3.056202|25.902396|5.280553|10.224999|0.184569|12.747444|10.486334|7.191592|36.858105| |1.397436|1.515543|1.488093|2.220224|1.791522|1.701912|1.791289|2.516083|2.776407|2.290588|3.923229|2.744766|23.302689|4.355713|8.114532|0.165560|7.433755|7.219546|5.668354|12.388990|36.858105| |1.258990|1.355977|1.338163|1.981565|1.576622|1.501844|1.567005|2.190202|2.406367|1.956589|3.382288|2.276434|18.911196|3.321692|5.785922|0.121498|5.007187|5.369397|4.378235|7.862891|12.375685|36.858105| |1.239009|1.342065|1.338389|1.992752|1.570706|1.479741|1.522588|2.103116|2.402739|1.952083|3.378142|2.264733|18.919490|3.321695|5.786711|0.121290|5.006009|5.367661|4.377763|7.856556|7.717467|12.266238|36.858105| |1.355963|1.485808|1.488424|2.244531|1.778053|1.653129|1.692868|2.323670|2.767718|2.279019|3.911766|2.713145|23.313549|4.354752|8.110810|0.164422|7.434343|7.223117|5.669936|12.388123|7.942435|7.714715|12.371017|36.858105| |3.762620|5.225992|7.552241|17.702735|7.543230|5.243700|3.847818|4.297512|8.580540|4.945943|8.374862|3.790778|21.761382|2.564622|2.987579|0.058260|2.020092|2.938595|3.452981|1.749034|1.614209|1.451015|1.478701|1.674551|36.858105| |3.123542|4.082770|5.151962|10.148476|5.988240|4.328525|3.434447|3.969465|8.189358|4.624108|7.244917|3.886332|21.649775|2.669362|3.082311|0.059097|2.125157|3.158582|3.716792|1.831404|1.664490|1.495427|1.532416|1.746186|12.241650|36.858105| |2.599401|3.258140|3.884588|7.132472|4.688787|3.524802|2.960309|3.530179|7.168259|4.615323|7.326381|4.107425|23.841909|2.953262|3.400982|0.065027|2.332683|3.457917|4.086040|1.996570|1.784113|1.604531|1.668722|1.928534|7.721643|12.379045|36.858105| |2.591859|3.220236|3.925768|6.963938|4.352329|3.364927|2.802092|3.337100|6.213538|4.308826|7.497692|3.675756|22.985964|2.748099|3.237418|0.063331|2.179502|3.137053|3.656238|1.888274|1.707350|1.547146|1.613862|1.854155|7.889525|7.852684|12.421752|36.858105| |3.187419|4.159817|5.339026|10.247732|5.854518|4.314446|3.395958|3.912937|7.638359|5.182386|9.516691|3.962055|24.197793|2.755919|3.222793|0.063540|2.136976|3.056776|3.602402|1.844947|1.695869|1.525839|1.569063|1.790905|12.362136|7.692115|7.928728|12.443974|36.858105| |5.854670|7.381411|12.700295|10.276362|5.217204|5.144902|3.766277|4.207208|5.261143|3.267384|5.893491|2.632265|16.032257|1.937173|2.338754|0.046378|1.597036|2.285021|2.595833|1.420324|1.346945|1.225230|1.231760|1.360296|6.325493|4.509534|3.507784|3.689957|4.761179|36.858105| |17.550079|8.879596|5.824185|6.060008|4.629666|6.495785|5.952491|6.796800|4.848702|3.237681|6.009898|2.647269|16.419867|1.968128|2.396383|0.047975|1.622883|2.295383|2.598486|1.447203|1.412216|1.271611|1.246688|1.360615|3.372928|2.807610|2.415108|2.444452|3.004189|4.805464|0.500000| |17.550988|8.881408|5.774559|6.042565|4.641450|6.568304|6.100448|6.988264|4.874899|3.086008|5.411888|2.593084|15.589141|1.920574|2.326454|0.046018|1.600701|2.297156|2.594140|1.427362|1.385149|1.247247|1.221993|1.333061|3.358243|2.929158|2.441459|2.378422|2.837169|4.736911|0.302583|0.500000| |17.604394|8.843013|6.878328|6.339353|4.329381|5.470630|4.525140|5.169189|4.484077|2.887614|5.231459|2.393094|14.747277|1.800799|2.197275|0.043781|1.504895|2.141810|2.409284|1.348598|1.304663|1.184014|1.170102|1.276208|3.607194|2.985031|2.486102|2.511976|3.057454|6.585422|0.302192|0.302394|0.500000| |3.492428|4.619675|4.613610|8.542755|9.286034|6.468016|5.808471|6.639824|25.994691|9.393558|10.889061|7.694641|31.904181|3.791603|4.066408|0.075791|2.754993|4.228402|5.377336|2.267668|2.074984|1.792874|1.785442|2.057521|5.380512|5.820141|5.049049|4.100262|4.641353|3.484061|0.090047|0.094924|0.084857|0.500000| |2.506574|3.048296|3.098851|5.310583|4.723360|3.799715|3.718417|4.737505|9.853909|8.846054|10.801585|17.627486|56.470996|6.876347|6.307029|0.110685|4.105502|6.555298|9.912154|3.110039|2.706002|2.265869|2.291555|2.775303|3.880925|4.263181|4.710696|3.957135|4.018134|2.573496|0.067585|0.067620|0.062971|0.216261|0.500000| |2.698887|3.220091|3.073720|5.017812|4.784141|4.213088|4.584041|6.182382|9.432859|8.915986|11.159257|17.595288|56.372987|6.602926|6.245720|0.111577|4.010259|6.224085|8.993460|3.069027|2.808829|2.302475|2.241828|2.647043|3.366937|3.464046|3.502539|3.118528|3.369335|2.500566|0.074110|0.073897|0.066154|0.206337|0.303055|0.500000| |1.397369|1.530012|1.518993|2.291131|1.838608|1.718741|1.784705|2.476991|2.887268|2.333815|3.889073|2.852009|22.893970|4.538887|7.724012|0.137212|9.214050|10.234638|6.711438|17.569264|8.859175|6.916411|6.903600|8.856613|1.689937|1.788554|1.940653|1.814460|1.762234|1.377012|0.038736|0.038583|0.036341|0.061094|0.082046|0.080455|0.500000| |1.411450|1.524233|1.485527|2.207266|1.792228|1.717121|1.827515|2.593248|2.771590|2.266026|3.849971|2.717212|22.290419|4.116932|7.102732|0.139452|6.477987|7.017338|5.552665|8.677189|17.579854|8.643458|5.626523|5.650852|1.590730|1.641962|1.738709|1.652206|1.651998|1.340315|0.039619|0.039093|0.036500|0.057992|0.074028|0.079143|0.216007|0.500000| |1.447917|1.570573|1.538151|2.293580|1.856613|1.767520|1.864950|2.622213|2.873875|2.410371|4.188851|2.874314|25.468596|4.622728|9.005126|0.204610|6.934068|6.640742|5.619784|8.801799|17.511429|8.781525|6.397189|6.892908|1.660546|1.692621|1.813802|1.754535|1.758727|1.388619|0.040881|0.039695|0.037473|0.058980|0.077060|0.081189|0.173970|0.302838|0.500000| |1.211361|1.299744|1.280900|1.889895|1.501378|1.435647|1.500698|2.103038|2.281743|1.831822|3.146791|2.121215|17.101163|2.978604|4.953386|0.100874|4.369322|4.991485|4.052032|6.469361|8.794345|17.565275|8.735802|5.964485|1.382232|1.431110|1.526152|1.462809|1.440879|1.175360|0.033905|0.033479|0.031685|0.047536|0.059004|0.060131|0.183675|0.221311|0.175582|0.500000| |1.226729|1.314053|1.293592|1.904031|1.511714|1.449166|1.514691|2.121662|2.286786|1.861964|3.255407|2.132997|17.811248|3.007603|5.151046|0.112213|4.152074|4.553254|3.882364|5.714417|8.719791|17.576321|8.640754|5.881814|1.389693|1.419621|1.516328|1.475391|1.464346|1.187577|0.034569|0.033714|0.032084|0.047013|0.058321|0.059878|0.139229|0.192045|0.223034|0.304053|0.500000| |1.184596|1.280965|1.280489|1.903176|1.492834|1.406370|1.442794|1.989858|2.275451|1.824956|3.139770|2.105272|17.095079|2.974932|4.947510|0.100594|4.359693|4.980204|4.045686|6.446274|5.951121|8.734598|17.565876|8.788512|1.417223|1.478846|1.608690|1.547340|1.494755|1.183342|0.032991|0.032534|0.031161|0.047232|0.059821|0.058025|0.182599|0.134155|0.135359|0.229564|0.181705|0.500000| |1.199437|1.295594|1.294665|1.920455|1.504761|1.419995|1.455391|2.004940|2.283670|1.857590|3.252608|2.120238|17.842644|3.011358|5.160229|0.112177|4.156706|4.555900|3.885687|5.718621|5.897100|8.642831|17.575684|8.720849|1.428185|1.469533|1.602010|1.567176|1.524825|1.197352|0.033610|0.032757|0.031557|0.046779|0.059244|0.057842|0.139098|0.125918|0.153116|0.181356|0.223037|0.304079|0.500000| |1.396998|1.534161|1.539116|2.324725|1.840610|1.707350|1.743003|2.384282|2.864499|2.396538|4.175189|2.835517|25.502312|4.625841|9.009077|0.202360|6.942274|6.650293|5.626733|8.803919|6.886110|6.379905|8.778735|17.513089|1.735858|1.791112|1.988732|1.938896|1.880753|1.405563|0.039091|0.037941|0.036508|0.058428|0.079461|0.075649|0.173995|0.138948|0.196402|0.135311|0.152236|0.175673|0.223360|0.500000| |1.338008|1.471444|1.485663|2.249355|1.767949|1.630807|1.653680|2.252705|2.755300|2.245299|3.829071|2.662273|22.293018|4.112628|7.092276|0.138128|6.474950|7.020673|5.552461|8.678201|5.652217|5.630728|8.642146|17.578734|1.696803|1.788277|1.996979|1.909892|1.816569|1.363494|0.037103|0.036515|0.035097|0.057106|0.077341|0.071344|0.216105|0.124582|0.139011|0.134627|0.125760|0.221448|0.191702|0.302862|0.500000| |3.733444|4.951721|7.526593|12.793231|5.737427|4.532640|3.400908|3.857272|6.430056|3.894976|6.783472|3.123499|18.627308|2.242262|2.663026|0.052273|1.815762|2.624316|3.024048|1.594536|1.480305|1.342850|1.369284|1.536355|17.692494|8.894938|6.099391|6.641859|8.926449|7.812096|0.091836|0.091878|0.103836|0.117160|0.088536|0.078831|0.042941|0.040545|0.042222|0.035646|0.035845|0.036586|0.036875|0.044152|0.043290|0.500000| |2.939574|3.698615|4.671462|8.095940|4.739403|3.729423|3.020581|3.545614|6.218693|3.669772|5.907938|3.201335|18.497639|2.340429|2.755806|0.053050|1.924434|2.851069|3.279544|1.683341|1.535406|1.392528|1.428879|1.613547|8.785159|17.558496|8.779377|6.438749|5.953725|4.448459|0.072779|0.077276|0.079977|0.126336|0.096886|0.081337|0.045962|0.042134|0.043173|0.037198|0.036772|0.038525|0.038139|0.045751|0.046051|0.236716|0.500000| |3.238755|4.262868|5.063676|9.890596|6.689417|4.766405|3.828370|4.410202|9.681871|4.994400|7.380801|4.276875|22.540260|2.817149|3.207524|0.060825|2.228060|3.365939|4.004706|1.904686|1.730025|1.542468|1.569007|1.789567|8.629099|17.623237|8.674080|5.711355|5.876306|4.185870|0.080249|0.086380|0.084101|0.211665|0.132191|0.108499|0.051930|0.047767|0.048683|0.041140|0.040533|0.042086|0.041520|0.050654|0.050746|0.182437|0.304909|0.500000| |2.310055|2.808028|3.281953|5.645891|3.773698|2.989717|2.580274|3.135832|5.688041|3.748275|6.002527|3.529505|21.156236|2.738712|3.210569|0.061241|2.245997|3.342722|3.857722|1.945602|1.727684|1.567674|1.642117|1.892338|5.646402|8.676115|17.573114|8.664651|5.647783|3.068250|0.059692|0.061020|0.061992|0.116091|0.113761|0.085795|0.053025|0.046715|0.048375|0.041611|0.041025|0.044326|0.043762|0.053774|0.055010|0.137826|0.221973|0.191404|0.500000| |2.555242|3.199503|3.654967|6.738831|4.874412|3.620430|3.122375|3.756784|8.334343|5.589000|8.407128|5.183160|28.832899|3.542627|3.952776|0.074488|2.687270|4.036078|4.926572|2.247759|1.984308|1.762329|1.833421|2.151038|6.366288|8.786312|17.546942|8.846675|6.861973|3.183623|0.066723|0.067151|0.066737|0.165226|0.175922|0.117454|0.060420|0.053608|0.056078|0.046362|0.045997|0.048863|0.048589|0.061708|0.061861|0.136970|0.175579|0.221750|0.302861|0.500000| |2.462131|2.990559|3.684885|6.138504|3.732361|3.011795|2.519690|3.020572|5.098753|3.495762|6.145030|3.046576|19.418069|2.382841|2.863911|0.056329|1.952237|2.798055|3.192569|1.718888|1.563181|1.431163|1.494641|1.698517|6.822463|6.782493|8.807554|17.510571|8.798665|3.683802|0.064193|0.062817|0.067609|0.095735|0.090355|0.073946|0.046135|0.042077|0.044468|0.037750|0.038018|0.040019|0.040465|0.049133|0.048714|0.186344|0.179259|0.137416|0.215801|0.174084|0.500000| |2.342913|2.844510|3.331908|5.683826|3.778481|3.010051|2.588574|3.138184|5.583599|4.156025|7.411844|3.685030|24.375091|2.905857|3.452606|0.067981|2.301804|3.272269|3.799736|1.993495|1.790936|1.626132|1.712876|1.983337|5.631373|5.616552|8.668993|17.574854|8.694751|3.130064|0.062442|0.060003|0.062879|0.102848|0.110212|0.085565|0.052819|0.047686|0.051302|0.042447|0.043066|0.045462|0.046396|0.058134|0.056988|0.136001|0.133052|0.126340|0.197325|0.217131|0.302355|0.500000| |3.218706|4.222151|5.048713|9.780989|6.525032|4.675763|3.744904|4.310563|9.217446|6.886589|13.406175|4.854252|29.482466|3.172198|3.641399|0.071869|2.363807|3.367318|4.052635|2.010918|1.848375|1.645322|1.686106|1.940479|8.767455|6.359356|6.832433|8.814009|17.620611|4.218169|0.086085|0.079757|0.083527|0.145494|0.131975|0.110189|0.052861|0.049927|0.053664|0.042904|0.043857|0.044284|0.045445|0.057029|0.054296|0.176558|0.135087|0.151853|0.138075|0.193610|0.173659|0.216391|0.500000| |3.171778|4.010390|5.167364|8.649720|4.923202|3.941644|3.137597|3.646497|6.110507|4.299986|8.340319|3.366250|21.569684|2.471239|2.953519|0.059015|1.957616|2.762400|3.199368|1.713353|1.591205|1.442906|1.482740|1.676433|8.715284|5.634009|5.646462|8.659044|17.563905|4.986229|0.084125|0.077088|0.086364|0.105065|0.092805|0.081365|0.045370|0.043008|0.046006|0.037840|0.038713|0.039219|0.040292|0.049078|0.047081|0.225983|0.134887|0.125989|0.124597|0.138414|0.215358|0.197241|0.303741|0.500000| |4.790723|5.806590|8.825524|9.007167|4.666685|4.442400|3.372074|3.839888|4.939901|3.028858|5.320474|2.506873|15.188291|1.869730|2.259899|0.044593|1.558047|2.242831|2.535390|1.389236|1.311088|1.196336|1.206397|1.331702|6.257794|4.832882|3.629033|3.705187|4.492355|17.540612|0.109635|0.116207|0.147900|0.093815|0.069449|0.066296|0.037621|0.036255|0.037332|0.031981|0.032118|0.032336|0.032522|0.038041|0.037263|0.232687|0.141603|0.123300|0.090025|0.089281|0.105653|0.086007|0.107668|0.126512|0.500000| |4.758129|5.786489|8.836701|9.084657|4.692128|4.444818|3.367451|3.830337|4.958957|3.202900|5.942621|2.578492|16.085778|1.927884|2.339913|0.046679|1.588761|2.256044|2.557894|1.415902|1.341678|1.224293|1.236646|1.366902|6.355599|4.353330|3.562673|3.986191|5.283791|17.547192|0.117175|0.108088|0.145448|0.089859|0.070004|0.067011|0.037980|0.036884|0.038540|0.032519|0.033025|0.032950|0.033528|0.039428|0.038101|0.227491|0.118425|0.107729|0.086259|0.088911|0.112616|0.094151|0.126012|0.167524|0.301265|0.500000| 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