Version2.4 2021-05-09T05:56:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 10-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cc(cc(c1)C(=O)Nc2c(c3c(s2)C[NH+](CC3)C)C(=O)N)C C36629210 RHF 6-31G(d) (6D,7F) Cc1cc(cc(c1)C(=O)Nc2c(c3c(s2)C[NH+](CC3)C)C(=O)N)C C01[X(C18H22N3O2S1)] 132 C1 408 C[NH+]1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1cc(C)cc(c1)C C[NH+]1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1cc(C)cc(c1)C C[NH+]1CCc2c(C1)sc(NC(=O)c3cc(C)cc(C)c3)c2C(N)=O InChIKey=QSHJDJCUOMBPAZ-UHFFFAOYSA-O InChI=1S/C18H21N3O2S/c1-10-6-11(2)8-12(7-10)17(23)20-18-15(16(19)22)13-4-5-21(3)9-14(13)24-18/h6-8H,4-5,9H2,1-3H3,(H2,19,22)(H,20,23)/p+1 InChI=1/C18H21N3O2S/c1-10-6-11(2)8-12(7-10)17(23)20-18-15(16(19)22)13-4-5-21(3)9-14(13)24-18/h6-8H,4-5,9H2,1-3H3,(H2,19,22)(H,20,23)/p+1/fC18H22N3O2S/h20-21H,19H2/q+1 Cc1cc(cc(c1)C(=O)Nc2c(c3c(s2)C[NH+](CC3)C)C(=O)N)C C01[X(C18H22N3O2S1)] 132 C01 408 C[NH+]1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1cc(C)cc(c1)C C[NH]1CC[C]2=C(C1)S[C]([C]2C(=O)N)NC(=O)[C]1[CH][C]([CH][C]([CH]1)C)C C[C]1[CH][C](C)[CH][C]([CH]1)C(=O)N[C]2SC3=C(CC[NH](C)C3)[C]2C(N)=O InChIKey=UVQIGPXYCWIMEU-UHFFFAOYSA-N InChI=1S/C18H22N3O2S/c1-10-6-11(2)8-12(7-10)17(23)20-18-15(16(19)22)13-4-5-21(3)9-14(13)24-18/h6-8,21H,4-5,9H2,1-3H3,(H2,19,22)(H,20,23) InChI=1/C18H22N3O2S/c1-10-6-11(2)8-12(7-10)17(23)20-18-15(16(19)22)13-4-5-21(3)9-14(13)24-18/h6-8,21H,4-5,9H2,1-3H3,(H2,19,22)(H,20,23)/f/h20H,19H2 2167.0974687557 -1404.8643206 1-A 12314.7640 91 317 408 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.09486 -20.63895 -20.63863 -15.85779 -15.71791 -15.68738 -11.46585 -11.46119 -11.45211 -11.44840 -11.44305 -11.44158 -11.38551 -11.38153 -11.37549 -11.35321 -11.32834 -11.32074 -11.31928 -11.31728 -11.31031 -11.30707 -11.29279 -11.28688 -9.10326 -6.78552 -6.78447 -6.78260 -1.51174 -1.50645 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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| -0.00840 0.02394 0.03553 0.05445 0.06684 0.07114 0.08932 0.11174 0.11861 0.12687 0.12831 0.14277 0.14770 0.15192 0.15503 0.16468 0.16900 0.18188 0.18728 0.18951 0.19567 0.19707 0.20358 0.21100 0.21995 0.22452 0.22933 0.23513 0.24577 0.25151 0.25659 0.27186 0.27616 0.27830 0.29057 0.30489 0.32122 0.33732 0.34376 0.35280 0.36221 0.36598 0.38104 0.38568 0.39970 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579.5297 595.5722 612.1280 647.6419 660.2409 687.5688 718.6700 738.3654 753.5374 790.3744 839.8614 846.5866 862.7904 869.5017 915.0883 929.3792 979.5749 1012.5558 1015.0657 1026.5277 1028.5047 1059.3742 1060.9574 1068.2453 1085.0994 1087.1810 1103.6776 1112.9171 1122.6869 1141.1761 1174.2430 1179.3340 1210.6577 1220.8660 1229.3123 1250.7052 1272.2121 1289.6800 1291.8806 1301.2695 1315.3832 1335.1725 1376.6378 1382.5829 1417.6735 1431.7121 1459.5614 1463.0538 1520.1145 1525.8893 1533.3367 1568.8157 1571.1612 1575.0143 1581.5502 1588.5482 1590.1324 1598.4229 1609.3130 1614.2332 1624.8103 1630.0877 1632.6849 1634.6993 1642.7303 1643.6815 1646.7907 1654.4635 1660.2604 1723.0695 1796.1958 1800.0023 1805.5460 1806.8108 1962.3873 1970.8822 3209.6646 3210.9715 3220.7646 3249.2982 3262.0942 3268.8994 3269.6604 3276.4208 3285.4244 3292.6229 3302.5839 3324.1955 3336.8636 3354.9882 3360.7896 3362.0232 3365.3044 3399.2451 3688.5190 3777.4184 3862.8361 3886.6499 1.3386 2.0974 5.0512 1.1087 3.8781 4.7685 5.9115 3.6808 4.9490 5.4920 3.6731 5.4300 4.0300 3.9800 2.9932 3.2174 1.2011 3.0350 3.0596 3.7282 3.2251 4.0884 4.6945 4.5269 5.3218 6.8970 4.6579 1.2362 2.3957 2.9560 3.7688 4.7989 3.7084 4.3432 4.8970 4.7142 3.8039 4.4146 2.8049 3.9618 4.1905 1.7108 2.4558 1.3397 5.8116 4.7721 3.0026 4.7363 2.9847 4.3848 1.5037 3.0148 1.4405 3.7322 2.6280 1.4315 2.1753 2.0776 4.3251 3.5625 2.1722 1.8728 1.8164 2.0581 1.5152 1.5741 2.4939 1.9634 2.1505 1.5450 2.4782 1.9342 1.2572 2.4474 1.4177 2.2381 1.5480 3.7068 1.8551 4.8000 1.2584 1.3294 1.2793 1.9317 1.6026 1.2288 1.3145 1.8131 1.8761 1.3082 2.3069 2.6342 1.3634 2.4272 1.0847 1.0443 1.0744 1.0520 1.2152 1.0640 1.0754 1.3636 1.0914 2.1083 4.2223 4.4301 1.4458 5.1406 9.5634 8.5579 1.0397 1.0370 1.0746 1.0589 1.0335 1.1028 1.0988 1.0597 1.1033 1.1042 1.1097 1.0925 1.1113 1.0919 1.0912 1.1102 1.1104 1.0925 1.0784 1.0491 1.0787 1.1014 0.0002 0.0005 0.0020 0.0014 0.0055 0.0127 0.0234 0.0154 0.0397 0.0662 0.0540 0.0904 0.0837 0.1024 0.0869 0.1056 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14.4165 78.8543 0.5186 8.3770 1.1437 2.7666 1.6649 0.4013 4.4894 6.7987 1.2609 5.9783 60.0749 43.7092 30.4234 43.0687 10.4911 104.7596 44.2648 36.0074 10.2117 12.8589 57.5429 46.2114 10.1201 24.6602 9.1981 3.7126 10.5063 2.9556 26.8415 6.4909 7.9430 1.3969 19.0424 1.7160 1.7257 11.0050 0.8280 7.3739 12.0577 45.8649 29.3365 9.0094 13.0316 49.9988 1.3415 5.6551 7.4425 238.8981 29.6336 214.1342 14.5124 249.5992 8.1178 33.8300 2.6939 160.4249 22.1587 0.2696 12.3631 182.2998 52.3677 97.2424 24.8707 10.9791 30.1181 0.3821 10.8255 6.0199 5.8465 6.1450 10.6937 32.3546 30.4633 20.5452 15.5665 945.5085 77.3901 9.1431 88.5873 38.0399 316.3977 431.2933 32.3305 24.5084 13.3956 10.9004 7.0646 15.6573 26.2080 10.1136 20.1845 16.9787 3.2729 3.5702 5.7211 18.9854 16.5162 1.7303 2.6175 1.0237 49.5565 70.6875 92.1399 50.4620 1.0562 1.6117 0.5082 0.2326 0.6848 0.1521 1.5106 0.3228 0.7958 1.0544 1.0030 0.6616 0.8898 0.4530 1.5907 2.6701 0.2020 3.0612 0.6829 1.0803 0.8359 1.0150 1.1497 1.3024 2.1382 2.8785 4.8780 2.3067 1.3994 2.4084 3.6995 4.6616 6.5068 4.6178 3.1583 13.3454 5.6962 4.7451 1.2526 3.0351 10.1946 2.7098 0.5219 3.4893 2.1043 2.5554 6.4858 1.1546 4.7688 3.7495 0.8583 1.2010 1.9336 0.3996 6.2760 1.5412 1.2210 3.7043 27.9318 10.8998 3.0628 4.1399 0.7695 9.2046 1.0413 0.9177 0.8751 10.9308 6.1076 9.8552 13.1656 5.0553 4.8038 0.3765 5.5913 10.7684 9.1909 6.2879 23.0426 93.8608 2.0768 7.1386 0.9495 11.0318 16.3833 12.2640 19.3426 54.5584 10.3124 12.8411 49.7126 16.6167 12.7939 45.5499 7.5845 15.7003 5.2577 19.6282 7.2680 16.0412 16.0890 24.5042 10.5158 81.6606 30.2708 128.9144 11.3763 6.1885 150.0857 42.8833 118.5167 193.9740 97.9925 83.8750 96.0853 97.9530 88.3767 126.1608 55.0675 68.5441 53.1922 66.2767 55.8101 100.6613 69.1878 62.8568 59.8415 47.0866 26.3686 82.0007 67.8999 52.7208 0.7486 0.7347 0.7499 0.7412 0.7353 0.7142 0.6643 0.7472 0.7431 0.6160 0.6986 0.7359 0.5618 0.2765 0.6502 0.7492 0.3729 0.6999 0.7299 0.7448 0.1578 0.2087 0.4550 0.1586 0.6057 0.2921 0.2969 0.1221 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12.00000 12.00000 31.97207 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 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 3540.0070 18402.4787 21357.9999 0.99998 0.00665 0.00097 -0.00664 0.99994 -0.00843 -0.00102 0.00842 0.99996 1 0.02447 0.00471 0.00406 0.50981 0.09807 0.08450 25.35 29.56 37.51 65.60 70.36 96.67 117.86 121.06 167.88 205.81 227.31 241.85 270.17 300.71 319.43 339.58 349.81 364.73 383.39 410.56 428.84 481.44 514.28 556.11 574.78 607.31 622.00 682.62 699.41 730.78 736.59 787.58 819.98 822.36 833.81 856.90 880.72 931.81 949.94 989.26 1034.01 1062.34 1084.17 1137.17 1208.37 1218.05 1241.36 1251.02 1316.61 1337.17 1409.39 1456.84 1460.45 1476.94 1479.79 1524.20 1526.48 1536.97 1561.22 1564.21 1587.95 1601.24 1615.30 1641.90 1689.47 1696.80 1741.87 1756.55 1768.71 1799.49 1830.43 1855.56 1858.73 1872.24 1892.54 1921.02 1980.67 1989.23 2039.72 2059.91 2099.98 2105.01 2187.11 2195.41 2206.13 2257.18 2260.55 2266.09 2275.50 2285.57 2287.85 2299.77 2315.44 2322.52 2337.74 2345.33 2349.07 2351.97 2363.52 2364.89 2369.36 2380.40 2388.74 2479.11 2584.33 2589.80 2597.78 2599.60 2823.44 2835.66 4617.99 4619.87 4633.96 4675.02 4693.43 4703.22 4704.31 4714.04 4726.99 4737.35 4751.68 4782.78 4801.00 4827.08 4835.43 4837.20 4841.92 4890.76 5306.96 5434.86 5557.76 5592.02 0.411920 0.434204 0.435148 0.357344 -1404.452400 -1404.430117 -1404.429173 -1404.506977 2.609559D-04 MUNgauss RevisionA2.1 retrievium 09-May-2021 DUDE Cc1cc(cc(c1)C(=O)Nc2c(c3c(s2)C[NH+](CC3)C)C(=O)N)C C36629210 RHF 6-31G(d) (6D,10F) C1 344.143274 |X|Y|Z| 100.580337 43.634444 17.151594 42.222992 17 6 7 16 14 2 1 |36.858105| |12.606070|36.858105| |7.563085|13.681560|36.858105| |4.999346|7.825504|13.735655|36.858105| |4.429867|6.829022|7.993464|13.711353|36.858105| |5.005786|7.902858|6.925452|7.905230|13.746894|36.858105| |7.543269|13.762115|7.989823|6.825396|7.910039|13.671049|36.858105| |3.765774|5.018767|4.493931|5.086420|7.771292|12.787774|7.519063|36.858105| |3.121689|4.001391|3.830670|4.533458|6.750539|8.032589|5.289774|15.918567|73.516695| |3.619594|4.455399|3.778806|3.952275|5.219855|7.807919|6.554816|13.785907|15.146012|53.358707| |2.910345|3.383645|2.974085|3.115773|3.915517|5.081244|4.479473|7.793924|12.212651|18.878707|36.858105| |2.660903|2.948549|2.578856|2.627563|3.135432|3.905211|3.718989|5.121215|8.181154|10.612483|13.920453|36.858105| |2.232378|2.441242|2.193841|2.256380|2.649522|3.138415|2.958105|4.002324|6.936666|7.094582|8.176251|13.184205|36.858105| |2.131737|2.370806|2.174118|2.285125|2.720186|3.154866|2.864086|4.144147|7.715227|6.803094|7.730788|8.228527|14.210479|36.858105| |2.428674|2.814674|2.598516|2.812102|3.520193|4.156332|3.520839|6.145019|12.580407|9.523162|10.955792|7.358476|7.385194|10.960410|388.023441| |1.836495|2.017881|1.884341|1.985228|2.313785|2.585755|2.363527|3.231258|6.171161|4.937175|4.842238|5.066432|7.551812|12.727739|47.985492|36.858105| |1.692792|1.828208|1.704921|1.774349|2.028216|2.253300|2.107767|2.717326|5.025700|4.199554|3.966110|4.506865|6.782860|7.812200|33.315326|12.697448|53.358707| |1.691190|1.831947|1.714332|1.789649|2.047068|2.265026|2.109620|2.729215|5.032877|4.230481|3.980523|4.553787|6.605472|7.193599|32.508896|9.361698|25.691848|0.500000| |1.750359|1.861787|1.709788|1.749544|1.982392|2.237320|2.147204|2.658624|4.752974|4.231817|3.979787|4.908206|7.632141|6.839834|30.001343|7.704743|17.204206|0.258579|36.858105| |1.977607|2.106257|1.903591|1.933737|2.206585|2.549698|2.469671|3.063013|5.301088|5.149376|5.045097|7.245246|12.632591|7.651267|33.616261|6.344864|10.385690|0.204188|12.509048|36.858105| |1.503815|1.612851|1.520487|1.583026|1.785269|1.945570|1.826954|2.288142|4.266840|3.421512|3.064730|3.340101|4.453384|5.041163|25.660680|7.687676|17.405521|0.259600|7.652516|4.983342|36.858105| |2.808559|2.997060|2.561918|2.524945|2.909163|3.617062|3.697909|4.289930|6.576752|8.474300|7.472077|12.806895|7.437787|5.134282|33.506359|3.759095|4.935049|0.102813|4.155097|6.123950|2.834948|36.858105| |2.546183|2.632645|2.267525|2.212544|2.488342|3.006086|3.128396|3.434876|5.426815|6.221225|5.332182|8.110285|6.508588|4.513539|27.680977|3.529089|4.862905|0.099704|4.370922|6.546770|2.836485|15.904625|73.516695| |3.242522|3.468388|2.906910|2.819241|3.223441|4.069858|4.306089|4.567505|6.672406|8.933647|6.404523|7.821517|5.098196|4.030901|29.066870|3.094912|4.030811|0.085175|3.233800|4.322955|2.406274|13.862592|15.064619|53.358707| |3.781057|4.989886|7.550101|12.608268|7.556064|5.016793|4.428388|3.833980|6.544760|4.220027|2.583746|2.224755|1.965294|2.010690|17.275884|1.788918|2.191017|0.045201|1.572729|1.711401|1.456797|2.132247|3.375899|3.187327|36.858105| |17.555448|8.849292|6.689330|4.584989|3.984872|4.314932|5.915296|3.349476|5.096669|4.321952|2.623158|2.404666|2.060145|1.987191|16.027714|1.734596|2.174396|0.044084|1.649688|1.838877|1.431910|2.503248|4.098930|3.812036|3.633401|0.500000| |17.581440|8.828921|5.570355|4.150042|3.956281|4.733030|7.230672|3.774030|5.494746|5.209391|3.096059|2.888333|2.392928|2.245481|17.911990|1.918288|2.418239|0.049172|1.862054|2.127002|1.568722|3.133714|5.083115|4.959676|3.211952|0.301987|0.500000| |17.556991|8.846106|6.767718|4.596943|3.966994|4.278777|5.846459|3.316614|4.979533|4.380628|2.641405|2.452384|2.074586|1.974887|15.793491|1.714880|2.173523|0.044590|1.648432|1.860089|1.424731|2.617673|4.247826|4.164756|3.657823|0.302314|0.301796|0.500000| |7.065738|8.941210|17.689890|8.950122|5.672431|4.977001|5.675398|3.583649|5.618306|4.253946|2.552359|2.265115|1.958495|1.937470|16.113013|1.703298|2.118088|0.043460|1.563443|1.727442|1.400544|2.273785|3.639276|3.486797|7.028220|0.189949|0.141228|0.194805|0.500000| |3.545019|4.931407|5.662124|8.887385|17.742593|8.963301|5.645104|7.297551|13.462097|6.604762|3.846423|3.051623|2.641560|2.781233|26.150438|2.393225|2.826727|0.058396|1.993415|2.191867|1.835726|2.756367|4.203850|4.061277|6.976973|0.090747|0.090198|0.090290|0.124333|0.500000| |7.039609|8.986782|5.678040|4.927382|5.622030|8.838459|17.708709|6.856556|8.632547|9.782812|4.925140|4.212328|3.249890|3.056342|25.992820|2.482952|3.031083|0.061591|2.314225|2.708988|1.912084|4.345820|6.495495|6.947084|3.542876|0.154653|0.223849|0.151351|0.124877|0.123966|0.500000| |4.103572|4.935065|3.956178|3.924751|4.904961|7.414901|7.456732|9.251301|10.868074|26.036752|9.441648|7.266301|4.749980|4.282514|37.538388|3.210592|3.865336|0.079691|2.944250|3.643099|2.335831|7.029173|8.962218|11.600307|3.040268|0.096971|0.124807|0.100993|0.091023|0.120852|0.256794|0.500000| |1.791359|1.955621|1.826177|1.915411|2.214989|2.466548|2.274963|3.032136|5.794767|4.543963|4.281787|4.395329|6.073958|8.799341|41.386781|17.585256|12.424215|0.182476|6.883802|5.397613|7.255106|3.391949|5.789027|3.833421|1.730392|0.047434|0.052008|0.046248|0.046027|0.063403|0.066515|0.082786|0.500000| |1.765234|1.954870|1.852744|1.977578|2.309778|2.528119|2.272613|3.151005|6.202034|4.637779|4.374687|4.324290|5.739759|8.842006|45.384288|17.603720|12.376684|0.229015|5.622727|4.880461|7.051448|3.296703|5.427459|3.849784|1.803019|0.046380|0.050678|0.045995|0.046590|0.067497|0.065152|0.083097|0.301650|0.500000| |1.751588|1.856043|1.700763|1.734827|1.960807|2.215649|2.137466|2.620516|4.696009|4.124938|3.820015|4.545328|6.629540|6.334859|29.272557|7.279976|12.449631|0.182416|17.617223|8.778146|6.896997|3.863413|7.281042|4.127892|1.558051|0.046195|0.051856|0.045530|0.043244|0.054618|0.064224|0.079630|0.214018|0.145820|0.500000| |1.620369|1.707280|1.575019|1.605021|1.796989|2.006278|1.941597|2.333208|4.154398|3.661677|3.310117|4.012252|5.555144|4.992353|24.401170|5.626722|12.343632|0.217658|17.632293|8.788253|7.342013|3.628433|6.969639|3.965536|1.454291|0.042521|0.047824|0.042703|0.040304|0.050130|0.057898|0.071894|0.144447|0.126700|0.300926|0.500000| |1.915772|2.035261|1.849673|1.878973|2.130393|2.437420|2.363566|2.884907|4.970902|4.810554|4.539387|6.357348|8.886237|6.071534|29.574344|5.247755|8.949887|0.202370|8.831034|17.531523|4.579385|5.909742|11.193202|5.951953|1.672479|0.049236|0.057038|0.050609|0.046808|0.058852|0.071419|0.095997|0.122011|0.121536|0.173423|0.219699|0.500000| |2.022721|2.119246|1.893804|1.896157|2.140052|2.489547|2.472198|2.922870|4.955976|4.932988|4.610096|6.608628|8.899543|5.846641|29.134502|4.935462|7.610901|0.146043|8.952703|17.642102|4.135601|6.451117|14.245830|6.029610|1.671063|0.052333|0.061173|0.052739|0.047912|0.058287|0.076584|0.100087|0.126450|0.109317|0.219494|0.205595|0.305722|0.500000| |1.466036|1.582767|1.506293|1.582149|1.787359|1.924934|1.787345|2.265230|4.294251|3.321843|2.939332|3.094679|3.970791|4.684969|25.387616|7.154842|12.308752|0.221649|5.577816|4.147777|17.644200|2.612384|4.555957|3.085783|1.467039|0.038823|0.042171|0.038647|0.038558|0.051573|0.051405|0.062453|0.183822|0.217258|0.142688|0.146742|0.108778|0.096687|0.500000| |1.430580|1.522495|1.435462|1.486350|1.661561|1.805485|1.711267|2.092721|3.854249|3.137449|2.763613|3.061864|3.967907|4.195433|22.109947|5.600432|12.320199|0.225302|6.995754|4.705175|17.649106|2.694183|4.876583|3.135124|1.372242|0.037817|0.041508|0.037862|0.036904|0.047242|0.049805|0.060373|0.145484|0.145188|0.167089|0.222027|0.126668|0.110895|0.299214|0.500000| |1.486853|1.587615|1.494045|1.549669|1.741165|1.899057|1.793763|2.219830|4.135379|3.299851|2.924455|3.158232|4.134676|4.671769|24.466130|6.925078|12.337545|0.181199|7.035603|4.577868|17.648419|2.701618|4.856134|3.119342|1.425597|0.039554|0.043150|0.038978|0.038295|0.049558|0.052299|0.062731|0.215789|0.169027|0.208036|0.184807|0.112459|0.110930|0.299108|0.299283|0.500000| |3.195194|3.532039|3.027291|2.998848|3.480409|4.351545|4.396854|4.943489|7.207542|9.506341|6.567660|7.216839|4.851579|4.011390|30.094625|3.086846|3.985307|0.085771|3.083493|4.022503|2.384441|9.351082|11.085961|25.961224|2.492478|0.076235|0.096686|0.084799|0.073579|0.090304|0.137016|0.239952|0.076878|0.080131|0.079404|0.077332|0.115610|0.109342|0.063284|0.063295|0.062407|0.500000| |3.174444|3.259768|2.736540|2.604419|2.885600|3.533908|3.857120|3.767642|5.627100|6.758054|4.806317|5.752688|4.230572|3.403895|24.001691|2.727929|3.639633|0.076875|2.954282|3.862597|2.217978|9.565629|14.103018|25.929571|2.190694|0.076181|0.100336|0.084889|0.068217|0.073934|0.126088|0.172788|0.069772|0.069579|0.077197|0.075762|0.110756|0.113093|0.057922|0.059770|0.058887|0.316427|0.500000| 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