Version2.0 2020-07-31T18:43:14Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 23-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1(CC(CC([NH2+]1)(C)C)NC(=O)CSc2nnc(n2N)c3ccc(cc3)Cl)C C59795190 RHF 6-31G(d) (6D,7F) CC1(CC(CC([NH2+]1)(C)C)NC(=O)CSc2nnc(n2N)c3ccc(cc3)Cl)C C01[X(C19H28Cl1N6O1S1)] 162 C1 484 O=C(NC1CC(C)(C)[NH2+]C(C1)(C)C)CSc1nnc(n1N)c1ccc(cc1)Cl O=C(NC1CC(C)(C)[NH2+]C(C1)(C)C)CSc1nnc(n1N)c1ccc(cc1)Cl CC1(C)CC(CC(C)(C)[NH2+]1)NC(=O)CSc2nnc(n2N)c3ccc(Cl)cc3 InChIKey=OIVZHSLQVDIPDZ-UHFFFAOYSA-O InChI=1S/C19H27ClN6OS/c1-18(2)9-14(10-19(3,4)25-18)22-15(27)11-28-17-24-23-16(26(17)21)12-5-7-13(20)8-6-12/h5-8,14,25H,9-11,21H2,1-4H3,(H,22,27)/p+1 InChI=1/C19H27ClN6OS/c1-18(2)9-14(10-19(3,4)25-18)22-15(27)11-28-17-24-23-16(26(17)21)12-5-7-13(20)8-6-12/h5-8,14,25H,9-11,21H2,1-4H3,(H,22,27)/p+1/fC19H28ClN6OS/h22,25H/q+1 CC1(CC(CC([NH2+]1)(C)C)NC(=O)CSc2nnc(n2N)c3ccc(cc3)Cl)C C01[X(C19H28Cl1N6O1S1)] 162 C01 484 O=C(NC1CC(C)(C)[NH2+]C(C1)(C)C)CSc1nnc(n1N)c1ccc(cc1)Cl NN1[C]([N][N][C]1[C]1[CH][CH][C]([CH][CH]1)Cl)SCC(=O)NC1CC(C)(C)[NH2]C(C1)(C)C CC1(C)CC(CC(C)(C)[NH2]1)NC(=O)CS[C]2[N][N][C]([C]3[CH][CH][C](Cl)[CH][CH]3)N2N InChIKey=CNCSUTUKJZTEAL-UHFFFAOYSA-N InChI=1S/C19H28ClN6OS/c1-18(2)9-14(10-19(3,4)25-18)22-15(27)11-28-17-24-23-16(26(17)21)12-5-7-13(20)8-6-12/h5-8,14H,9-11,21,25H2,1-4H3,(H,22,27) InChI=1/C19H28ClN6OS/c1-18(2)9-14(10-19(3,4)25-18)22-15(27)11-28-17-24-23-16(26(17)21)12-5-7-13(20)8-6-12/h5-8,14H,9-11,21,25H2,1-4H3,(H,22,27)/f/h22H 2774.5372486410 -1994.1184238 1-A 29102.7196 112 372 484 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.86681 -92.04904 -20.64428 -15.84685 -15.72886 -15.70764 -15.68818 -15.64198 -15.63348 -11.46808 -11.46545 -11.45998 -11.41292 -11.39527 -11.38748 -11.38037 -11.37621 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.01577 0.05274 0.06540 0.08084 0.08603 0.08803 0.09105 0.09802 0.10148 0.11288 0.13118 0.13421 0.14070 0.14707 0.15070 0.15441 0.15649 0.15921 0.16217 0.17030 0.17792 0.18098 0.18405 0.18549 0.19177 0.19371 0.20092 0.21533 0.22019 0.22311 0.23072 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2.9627 2.8062 4.8539 2.1447 3.6657 1.3757 1.4782 1.5596 1.2358 1.8505 1.4985 2.3587 6.3402 2.1766 1.3557 1.3065 1.1884 1.6120 1.3754 5.1025 1.8020 1.3909 1.3863 2.8035 1.2664 1.3387 1.3933 1.3428 1.2208 1.1108 1.2330 6.5381 1.0571 1.0624 1.0548 1.0576 1.0884 1.0807 1.0875 1.0716 1.0846 1.0593 2.5355 4.8369 2.3016 7.1274 7.2369 5.3148 1.0752 1.1318 9.9139 1.0700 1.0619 1.0428 1.0462 1.0467 1.0480 1.0598 1.0969 1.1045 1.1027 1.0943 1.0983 1.0975 1.0921 1.1000 1.0983 1.1065 1.1016 1.0949 1.0910 1.0925 1.0961 1.0938 1.0556 1.0945 1.0469 1.1007 1.0796 0.0003 0.0005 0.0021 0.0036 0.0043 0.0106 0.0130 0.0246 0.0135 0.0320 0.0439 0.0388 0.0321 0.0676 0.0274 0.0917 0.1688 0.1445 0.1564 0.0926 0.1097 0.0583 0.1327 0.1290 0.0982 0.3529 0.1837 0.1029 0.1977 0.0887 0.1704 0.1062 0.3871 0.2836 0.6785 0.3649 0.3111 0.2390 0.3818 1.3188 0.4152 0.4318 0.5085 0.7849 1.0424 0.7337 0.5861 1.4063 1.9863 2.1985 2.7499 1.7847 2.4380 1.3517 2.5467 2.0024 1.6592 2.5245 0.9726 0.9055 1.1711 0.6851 0.8017 1.5797 1.1824 0.9876 1.2009 1.1278 0.9564 1.0977 1.4538 2.6492 1.6759 0.9712 0.9974 2.6043 0.9477 1.0945 5.9371 1.3552 1.4998 1.9406 1.4654 2.5601 2.4448 4.3911 2.0563 3.5622 1.3778 1.4880 1.5764 1.2498 1.8862 1.6188 2.5939 7.3985 2.5653 1.6708 1.6234 1.4978 2.0369 1.7587 6.7333 2.4078 1.9225 1.9204 3.9803 1.8314 1.9526 2.0334 1.9686 1.8312 1.6710 1.8605 9.9938 1.6323 1.6489 1.6432 1.6603 1.7293 1.7188 1.7360 1.7211 1.7574 1.7304 4.1609 8.2081 3.9173 12.6540 13.4331 10.2814 2.0916 2.3078 22.4874 6.4405 6.4296 6.3378 6.3633 6.4241 6.4507 6.6588 6.9304 6.9811 6.9827 7.0059 7.0402 7.0448 7.0439 7.1045 7.1029 7.1681 7.2423 7.3100 7.4293 7.4463 7.5385 7.6059 8.3807 8.9982 8.6112 9.5594 9.5002 1.9343 0.9391 2.0723 0.2143 0.7972 8.8467 1.4164 1.7019 14.9008 10.4091 0.8144 0.2908 1.5107 3.7666 0.4503 1.3092 1.6897 5.8635 2.4921 2.6251 6.6250 2.0988 2.4089 5.6498 0.2273 4.9504 3.0423 2.6101 9.7468 37.1858 2.8761 89.0996 2.4679 0.9780 1.0008 0.1497 3.1481 2.0596 3.3229 1.3146 2.9557 3.8111 2.0573 11.9192 42.2308 3.3614 1.0293 15.8741 1.2362 15.0167 13.4985 5.5967 5.0738 1.4025 11.8316 13.8046 15.2427 3.6810 12.8327 9.5745 3.5097 9.6751 35.0029 3.7774 27.4145 157.9959 7.6213 7.7973 1.1649 1.1239 2.2795 116.5222 8.8949 0.8800 2.6158 9.8348 0.2289 3.9772 30.4747 0.4891 4.9664 9.1557 18.5774 62.2267 0.5320 3.8505 36.9329 7.1498 66.8950 0.2427 26.3924 2.8030 171.7904 57.5638 29.8468 1.9317 5.0179 17.9044 0.8347 4.8619 15.3611 19.7872 1.0944 82.8905 21.2588 7.9629 15.8055 37.1876 49.8517 17.8929 14.4145 8.6686 23.1583 15.5182 27.3965 1.6068 2.4593 2.4229 4.2972 3.9820 11.4841 23.9529 2.7251 0.7288 12.3189 177.0973 269.3130 319.9110 21.1957 9.4078 47.4911 75.9296 58.8180 198.9465 6.4800 10.4862 2.0182 38.2720 1.7964 19.6292 16.0805 5.7524 19.0091 22.1086 0.5947 3.5415 8.8205 16.1681 8.1375 9.2519 0.0107 13.4549 15.4444 2.8154 2.5993 1.4447 2.8698 38.1767 37.4136 10.7817 19.7636 43.0647 1.7343 4.1021 0.7535 0.4748 3.9013 0.3830 0.6982 0.0988 0.3346 0.6261 1.0922 0.3339 0.1239 0.2778 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0.7075 0.8226 0.7558 0.8565 0.4622 0.8570 0.8571 0.8425 0.8517 0.8512 0.8570 0.8170 0.8213 0.8570 0.8438 0.4648 0.4372 0.5139 0.4434 0.3826 0.5468 0.8563 0.7621 0.4293 0.4168 0.8565 0.6697 0.0394 0.2176 0.0865 0.0482 0.7690 0.8286 0.7553 0.7655 0.8484 0.8065 0.6458 0.7408 0.6593 0.8564 0.8571 0.5453 0.5689 0.6659 0.2699 0.3196 0.1474 0.8528 0.1489 0.8568 0.2703 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 6 6 6 6 6 6 7 1 1 6 6 7 6 8 6 16 6 7 7 6 7 7 6 6 6 6 6 6 17 6 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 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 2937.3399 51500.9887 52769.8980 0.99999 -0.00276 0.00184 0.00271 0.99962 0.02753 -0.00192 -0.02752 0.99962 1 0.02949 0.00168 0.00164 0.61441 0.03504 0.03420 13.38 20.42 32.81 44.97 56.12 80.48 89.48 103.55 125.35 139.58 188.65 197.38 206.84 230.23 286.99 290.19 326.39 358.82 375.03 385.89 392.99 396.16 411.45 430.67 443.91 453.90 461.49 480.61 490.81 511.95 530.93 547.62 559.19 595.52 629.43 656.73 659.20 669.10 714.56 726.34 731.32 760.83 795.57 801.71 848.95 865.92 939.77 946.52 1000.17 1103.26 1109.82 1123.91 1145.17 1151.93 1178.45 1185.32 1188.48 1279.49 1329.76 1337.88 1348.67 1356.97 1373.03 1394.26 1428.07 1454.19 1468.10 1470.76 1489.01 1499.06 1521.07 1547.96 1556.86 1573.64 1599.38 1604.34 1608.76 1614.28 1685.02 1691.12 1719.44 1725.62 1738.77 1742.43 1749.56 1782.84 1835.39 1847.77 1875.82 1880.61 1884.46 1885.00 1892.46 1948.21 1965.64 2024.83 2034.89 2080.87 2089.37 2104.28 2107.04 2119.59 2153.23 2166.69 2203.69 2206.21 2233.45 2254.16 2263.75 2264.41 2269.55 2295.71 2299.04 2302.52 2317.45 2329.27 2335.12 2339.59 2348.58 2362.73 2363.95 2368.25 2375.43 2386.01 2395.67 2401.22 2441.77 2445.36 2497.57 2553.76 2607.05 2614.34 2676.66 2823.03 4598.62 4612.33 4620.95 4622.80 4643.63 4650.45 4698.41 4711.47 4712.47 4716.88 4742.86 4745.74 4748.90 4760.38 4763.59 4766.75 4770.83 4806.16 4843.23 4891.40 4893.65 4915.63 4942.76 5281.40 5374.44 5375.84 5523.94 5560.38 0.506136 0.533119 0.534063 0.444919 -1993.612288 -1993.585305 -1993.584360 -1993.673504 2.989904D-04 MUNgauss RevisionA2.0 retrievium 31-Jul-2020 DUDE CC1(CC(CC([NH2+]1)(C)C)NC(=O)CSc2nnc(n2N)c3ccc(cc3)Cl)C C59795190 RHF 6-31G(d) (6D,10F) C1 423.173384 |X|Y|Z| 36.776798 25.270215 164.653743 53.487400 21 6 7 16 15 5 1 |36.858105| |12.448898|36.858105| |7.452531|12.416762|36.858105| |5.934420|7.430183|12.464426|36.858105| |4.936486|6.321458|7.592970|12.424181|36.858105| |5.657259|7.066603|6.299780|7.415544|12.440315|36.858105| |7.576006|12.388607|7.676135|6.617492|7.698414|12.352399|53.358707| |7.304745|9.131480|5.688303|5.043974|5.696796|9.109006|25.685359|0.500000| |5.713262|9.245959|6.900074|5.752951|6.927788|9.240961|25.710639|0.330889|0.500000| |4.046426|4.884821|4.439893|4.889840|7.542185|12.443105|10.615305|0.196796|0.217011|36.858105| |5.704689|5.655043|4.929440|5.930303|7.451075|12.450607|10.289006|0.202215|0.158574|7.626419|36.858105| |4.258294|4.989025|7.829258|13.183260|7.743071|4.965018|6.124866|0.102224|0.117793|3.829932|4.243135|53.358707| |3.550750|3.843279|5.165297|7.813486|5.982956|4.174637|4.929391|0.086132|0.094208|3.373538|3.880248|19.042847|36.858105| |3.568458|3.679932|4.571122|6.963410|5.855032|4.316626|4.868289|0.086812|0.090658|3.459172|4.326191|11.591762|15.902783|73.516695| |2.844292|3.067185|3.969178|5.043987|4.237766|3.197056|3.930975|0.070321|0.077443|2.749350|2.975130|10.738905|12.595481|14.119035|36.858105| |2.392191|2.481806|2.988438|3.686955|3.331152|2.685103|3.259869|0.060010|0.063846|2.380392|2.623769|6.498473|6.975234|11.689753|10.518681|388.023441| |2.052407|2.149555|2.561560|2.966662|2.715164|2.245969|2.810027|0.052130|0.056067|2.042748|2.158420|5.114886|4.705124|7.486652|7.171318|77.056925|36.858105| |2.030247|2.159253|2.600358|2.924152|2.657970|2.195105|2.797994|0.051712|0.056480|2.004808|2.068251|5.100692|4.382463|6.645307|6.718309|49.661538|14.901397|53.358707| |1.777434|1.877565|2.205668|2.420398|2.240513|1.901092|2.445402|0.045711|0.049590|1.763951|1.802978|4.029770|3.336662|5.274714|4.536646|35.138013|8.940802|18.986290|53.358707| |1.680038|1.751857|2.026027|2.243487|2.099299|1.802855|2.299570|0.043296|0.046351|1.679536|1.736836|3.654771|3.086395|5.069899|4.036824|35.113913|8.829934|12.038637|20.175117|36.858105| |1.806759|1.871164|2.171291|2.468308|2.305185|1.962400|2.464790|0.046304|0.049232|1.812245|1.910590|4.053936|3.588875|6.015004|4.781783|49.516926|14.022014|11.958273|11.985936|13.892242|53.358707| |1.721042|1.757124|2.001488|2.283637|2.158090|1.869632|2.332349|0.044199|0.046288|1.733645|1.855325|3.635483|3.225949|5.684396|3.975188|42.664116|7.732471|7.397003|7.408408|7.722372|18.771284|53.358707| |1.488593|1.543148|1.752730|1.911373|1.808395|1.584167|2.033793|0.038637|0.041084|1.491596|1.535067|3.025617|2.493963|4.179428|3.075943|25.862108|5.289761|7.240462|10.628586|12.908425|10.175873|8.369608|36.858105| |1.416327|1.469461|1.662933|1.780364|1.676862|1.480193|1.924783|0.036656|0.039030|1.395679|1.428749|2.796633|2.249269|3.740344|2.729959|21.616544|4.183380|6.161071|8.965899|7.759484|6.974860|5.900861|13.677725|36.858105| |1.285073|1.328040|1.484193|1.577302|1.497651|1.338741|1.746418|0.033465|0.035452|1.271246|1.297522|2.434624|1.937426|3.260899|2.282366|17.916732|3.243044|4.645777|6.092541|5.096926|5.269135|4.823700|7.901280|13.794579|36.858105| |1.225594|1.261801|1.399557|1.495937|1.433903|1.289084|1.671695|0.032146|0.033878|1.230461|1.257131|2.287956|1.830729|3.125093|2.125627|17.039490|2.994223|4.115662|5.142386|4.489049|4.969146|4.841027|6.878693|7.985058|13.763440|36.858105| |1.269472|1.305422|1.449265|1.568135|1.510830|1.353796|1.738904|0.033407|0.035141|1.292726|1.325555|2.403197|1.950929|3.360003|2.271062|18.840747|3.318106|4.379984|5.384935|5.037187|5.784734|5.924010|7.910314|6.878590|7.916255|13.786931|36.858105| |1.395881|1.439391|1.614757|1.767697|1.695763|1.500875|1.915158|0.036587|0.038626|1.424438|1.466631|2.750199|2.271117|3.892810|2.711689|23.303726|4.349843|5.581880|7.080009|7.556657|8.326232|8.371772|13.706828|7.941750|6.866128|7.973734|13.762879|36.858105| |1.102983|1.131983|1.241947|1.316253|1.268579|1.153876|1.503454|0.029077|0.030507|1.107931|1.128520|1.983953|1.568714|2.696140|1.780229|14.010024|2.352226|3.230836|3.843946|3.184291|3.739404|3.723307|4.225410|4.778719|7.044605|10.954434|7.049402|4.775137|448.794386| |7.627417|12.439311|7.546390|4.899344|4.451560|4.880323|10.616814|0.196839|0.216722|3.987722|4.041445|5.242829|3.070872|5.148684|2.607127|15.223466|1.918783|2.664971|2.357118|1.608763|2.300183|2.153687|1.432779|1.380369|1.255573|1.189610|1.220846|1.335008|8.626031|36.858105| |17.595869|8.931393|6.676080|5.115255|4.094997|4.363010|7.545019|0.148283|0.128233|3.328291|4.352669|5.429770|3.354936|5.879493|2.767939|16.551750|2.026258|2.748017|2.415927|1.672415|2.432559|2.309684|1.485137|1.422387|1.290973|1.225975|1.263443|1.386214|8.865310|7.173080|0.500000| |17.552685|8.759152|5.447889|4.620745|4.236308|5.214813|9.575881|0.222800|0.150159|3.976227|5.530293|4.746848|3.010196|5.457844|2.471927|15.181875|1.850730|2.486973|2.203378|1.539886|2.246112|2.156288|1.377281|1.312919|1.199342|1.148775|1.189339|1.300128|8.350878|6.856774|0.303110|0.500000| |17.665979|8.664954|6.847853|6.556328|5.289052|5.891271|8.974325|0.172589|0.138421|4.065423|6.682000|6.272437|3.974524|7.399566|3.078870|18.614475|2.189078|2.902020|2.522241|1.764072|2.615453|2.508761|1.555423|1.468387|1.328554|1.270820|1.323743|1.462246|9.148356|5.498224|0.303820|0.301245|0.500000| |5.490440|8.856376|17.500715|8.873310|6.908757|5.601351|9.248319|0.141996|0.197590|4.352005|4.194790|9.706910|4.730102|7.198799|3.866473|20.449861|2.539171|3.583230|3.051159|2.034250|2.927103|2.668534|1.761375|1.679966|1.498852|1.408220|1.452640|1.616195|10.033418|7.274913|0.141874|0.123009|0.138357|0.500000| |7.074332|8.937138|17.576593|8.828014|5.513312|4.744117|7.596188|0.127037|0.141474|3.562130|4.100712|9.724398|4.979068|7.733666|3.985756|21.310127|2.599908|3.617104|3.070353|2.063687|2.997113|2.752402|1.784505|1.703954|1.517695|1.423016|1.466293|1.632739|10.127340|6.706760|0.205872|0.141929|0.181472|0.303401|0.500000| |6.529006|6.743617|8.852288|17.648557|8.867782|6.754257|8.040945|0.134260|0.135582|4.449433|6.547901|12.774723|7.481124|13.879178|4.765150|26.412118|2.908735|3.809247|3.174144|2.197227|3.331660|3.138329|1.880178|1.745139|1.550692|1.477459|1.553703|1.749871|10.453752|4.445500|0.154464|0.138597|0.231598|0.173994|0.212947|0.500000| |4.205053|5.628599|6.925720|8.881187|17.511675|8.843228|9.274933|0.142194|0.198542|7.241310|5.483091|9.636369|5.353473|8.686305|4.122020|22.650672|2.692748|3.668041|3.103161|2.110594|3.108460|2.872778|1.819480|1.695070|1.513336|1.444182|1.516156|1.699404|10.257313|4.371447|0.100685|0.102552|0.118526|0.207430|0.141604|0.174386|0.500000| |4.106256|4.757857|5.527432|8.856413|17.603081|8.939114|7.604543|0.127012|0.141790|6.684657|7.063216|9.638497|6.495488|12.376236|4.509110|26.229993|2.902989|3.773832|3.165464|2.206299|3.354578|3.171765|1.891951|1.732532|1.544677|1.488426|1.582910|1.787262|10.531712|3.570154|0.097203|0.100754|0.126762|0.141648|0.123666|0.214435|0.303151|0.500000| |3.478076|3.996201|3.842808|4.476776|6.881217|8.875252|7.626898|0.143876|0.152914|17.599523|6.926649|5.026713|3.404737|6.353756|2.790686|17.588373|2.103865|2.779155|2.446152|1.724319|2.550859|2.457038|1.530960|1.421944|1.295342|1.260322|1.332326|1.471429|9.097638|3.301434|0.081401|0.094307|0.100279|0.104449|0.088274|0.115755|0.181910|0.198344|0.500000| |3.909650|4.493719|3.850295|4.036439|5.474162|8.740353|9.563044|0.208393|0.191927|17.548864|7.009090|4.384710|2.885513|5.302723|2.400611|15.078333|1.839734|2.456935|2.186170|1.537222|2.247791|2.165817|1.377984|1.295083|1.187032|1.151773|1.207195|1.321554|8.378049|3.837428|0.089405|0.112372|0.107339|0.103813|0.088653|0.106214|0.144544|0.138472|0.302437|0.500000| |3.703867|4.695367|4.412892|4.627713|6.874813|8.727004|9.684488|0.172797|0.235600|17.546299|5.504687|5.137801|3.254416|5.720049|2.721539|16.502488|2.031252|2.752244|2.427901|1.683877|2.448002|2.319017|1.496226|1.406443|1.280761|1.235542|1.293179|1.423151|8.932969|4.068238|0.087087|0.099961|0.100291|0.128118|0.097998|0.111819|0.217644|0.163238|0.302761|0.299851|0.500000| |6.646798|5.870874|5.281344|6.563411|6.858856|8.662223|8.936156|0.171582|0.138102|5.498183|17.667562|6.268351|4.266335|8.703968|3.187268|19.958021|2.271508|2.943366|2.549915|1.806938|2.723305|2.648765|1.589974|1.478533|1.338387|1.293801|1.364158|1.513729|9.296372|4.051985|0.139595|0.168383|0.252134|0.118290|0.126542|0.232857|0.138447|0.182041|0.142502|0.140868|0.122066|0.500000| |5.546010|5.219404|4.234524|4.622334|5.448590|8.754761|9.561885|0.222044|0.149999|6.846743|17.548497|4.738092|3.195615|6.209268|2.553329|16.268662|1.924231|2.523230|2.228682|1.581545|2.347795|2.290157|1.412376|1.322523|1.209129|1.173583|1.233115|1.354266|8.515283|3.973152|0.117763|0.165861|0.169952|0.102392|0.100781|0.139014|0.122862|0.141684|0.166943|0.206713|0.140381|0.300855|0.500000| |4.350366|4.361757|4.088663|5.105690|6.664551|8.941553|7.537300|0.148021|0.128259|7.181470|17.599895|5.397150|3.828595|7.861560|2.967002|19.189926|2.196872|2.829619|2.471118|1.764577|2.663101|2.611071|1.560925|1.442145|1.310932|1.277565|1.355713|1.502544|9.200823|3.325763|0.098208|0.117475|0.139937|0.100429|0.097014|0.154704|0.141517|0.204907|0.215328|0.180439|0.143911|0.304544|0.302861|0.500000| |3.854998|4.659030|7.376475|8.971694|6.287054|4.322142|5.640560|0.094811|0.113330|3.511594|3.616971|26.039676|9.321548|10.872671|7.544197|31.542142|3.770155|5.383014|4.240913|2.750156|4.045175|3.547956|2.271626|2.123610|1.841086|1.713620|1.784853|2.039384|11.909903|3.841134|0.103089|0.088999|0.110640|0.215798|0.195072|0.183153|0.181111|0.155794|0.093176|0.082899|0.099738|0.106078|0.085275|0.093920|0.500000| |2.662114|2.952183|3.802601|4.680575|4.187318|3.136226|3.861922|0.068855|0.077854|2.776993|2.831133|9.645845|8.885626|10.905818|17.610592|56.499788|6.863129|9.784221|6.548679|4.114493|6.338004|5.131148|3.129886|2.788212|2.325571|2.158354|2.299630|2.744864|14.488770|2.559324|0.071562|0.064958|0.078389|0.107790|0.103405|0.116835|0.119569|0.122989|0.078583|0.066868|0.078042|0.081941|0.067937|0.078728|0.210399|0.500000| |2.832931|3.028120|3.946722|4.671754|3.761098|2.936957|3.752817|0.067518|0.074041|2.517549|2.742476|9.607981|8.897651|10.962167|17.609933|56.430399|6.769441|9.555318|6.452094|4.075234|6.287314|5.139145|3.112185|2.830163|2.349526|2.151868|2.262202|2.682578|14.457273|2.622362|0.078532|0.068004|0.084179|0.106884|0.115679|0.123725|0.102096|0.106342|0.069748|0.061930|0.069587|0.082363|0.066456|0.074549|0.203957|0.303948|0.500000| |1.771227|1.787167|2.031369|2.318515|2.160791|1.881421|2.353812|0.044703|0.046389|1.727087|1.887793|3.670249|3.279730|5.871246|3.963475|43.017102|6.892878|6.714350|6.480449|6.199520|13.187218|25.903044|5.119205|3.897241|3.249001|3.231717|3.816787|5.012783|20.494104|1.603030|0.048713|0.045212|0.053011|0.054687|0.057475|0.065972|0.058023|0.064631|0.049757|0.044175|0.046851|0.055564|0.047584|0.054053|0.072342|0.100426|0.106616|0.500000| |1.739315|1.779774|2.019305|2.333879|2.244286|1.941696|2.390860|0.045309|0.047420|1.811466|1.932398|3.689802|3.307958|5.950635|3.978793|43.865808|6.901625|6.659809|6.389733|6.095407|13.196539|25.912595|5.015811|3.693781|3.117613|3.183414|3.902475|5.259100|20.244824|1.593387|0.047227|0.044590|0.051930|0.054904|0.056026|0.065470|0.060861|0.068308|0.052909|0.046062|0.049290|0.056002|0.048509|0.056106|0.072702|0.105931|0.100886|0.322143|0.500000| |1.470597|1.531592|1.745007|1.852791|1.728339|1.519858|1.990718|0.037803|0.040445|1.426521|1.458261|2.931826|2.333564|3.823733|2.859895|21.821165|4.250304|6.676475|10.005456|7.240173|6.588527|5.352113|8.924290|17.757273|8.946036|5.669918|4.958043|5.653921|31.639352|1.444414|0.041214|0.037727|0.042187|0.049173|0.049984|0.050196|0.048696|0.049207|0.040139|0.036718|0.040065|0.041991|0.037472|0.040632|0.062552|0.081422|0.084229|0.100700|0.093894|0.500000| |1.237377|1.278816|1.424173|1.498382|1.420551|1.276310|1.676854|0.032195|0.034109|1.213287|1.234938|2.299280|1.807335|3.034699|2.106989|16.144397|2.851866|4.149481|5.280606|4.149283|4.446865|4.073588|5.627360|8.916040|17.753128|8.920382|5.641891|4.951238|53.815659|1.217538|0.034649|0.032135|0.035374|0.040050|0.040570|0.040860|0.039953|0.040438|0.034202|0.031562|0.034031|0.035358|0.032086|0.034523|0.048512|0.059669|0.060744|0.077811|0.074201|0.215018|0.500000| |1.212968|1.243641|1.370730|1.484542|1.440660|1.299670|1.665158|0.032104|0.033625|1.246925|1.278571|2.252952|1.826816|3.179518|2.091292|17.382630|2.943293|3.825610|4.507927|4.092400|5.017588|5.372321|5.633044|4.957673|5.641862|8.931640|17.752413|8.911008|53.874729|1.162983|0.033451|0.031697|0.035165|0.038086|0.038387|0.040986|0.040075|0.042048|0.035807|0.032447|0.034572|0.036467|0.033133|0.036459|0.046215|0.058676|0.057379|0.097404|0.101917|0.107657|0.124241|0.500000| |1.428466|1.470314|1.646933|1.823798|1.761943|1.557493|1.968596|0.037610|0.039590|1.479945|1.529622|2.832094|2.370839|4.118218|2.813552|25.133182|4.551730|5.509598|6.517255|6.903665|8.997972|10.307956|8.892669|5.643918|4.954410|5.679778|8.981420|17.792822|31.705768|1.354087|0.039198|0.036982|0.041784|0.045596|0.045998|0.050351|0.048831|0.052099|0.042742|0.038082|0.040896|0.043828|0.039124|0.043835|0.057731|0.078722|0.075702|0.159958|0.187589|0.124149|0.107597|0.216340|0.500000| |6.925586|8.864628|6.888938|4.484667|3.849987|3.992917|7.627185|0.143949|0.152711|3.300900|3.475220|5.061291|2.988801|4.958482|2.587030|15.081351|1.920527|2.684625|2.380790|1.619111|2.303248|2.149532|1.443446|1.398890|1.271836|1.199633|1.225547|1.338420|8.699914|17.597632|0.215010|0.167220|0.142337|0.182860|0.199325|0.115603|0.104825|0.088456|0.078680|0.088081|0.093136|0.100015|0.094297|0.081349|0.104807|0.069996|0.073883|0.044612|0.043850|0.040859|0.034366|0.032344|0.037535|0.500000| |5.505197|8.726472|6.874205|4.636582|4.425587|4.689726|9.677422|0.172640|0.234970|4.065922|3.699095|5.166130|3.003294|4.950640|2.596010|15.042059|1.919987|2.693478|2.387367|1.619117|2.299083|2.138901|1.442335|1.392542|1.266468|1.198037|1.227513|1.341646|8.686685|17.547083|0.143799|0.140515|0.122077|0.218598|0.163540|0.111772|0.128779|0.098244|0.093128|0.106946|0.121764|0.100032|0.099830|0.087026|0.108636|0.072330|0.072210|0.043901|0.044004|0.040543|0.034149|0.032450|0.037735|0.302655|0.500000| 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