Version2.0 2020-08-10T04:10:16Z 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 c1ccc2=[NH+]CC(=c2c1)C3=NN[C@@H](O3)SCC(=O)Nc4ccc5c(c4)CCC5 C40061898 RHF 6-31G(d) (6D,7F) c1ccc2=[NH+]CC(=c2c1)C3=NN[C@@H](O3)SCC(=O)Nc4ccc5c(c4)CCC5 C01[X(C21H21N4O2S1)] 141 C1 466 O=C(Nc1ccc2c(c1)CCC2)CS[C@H]1NN=C(O1)C1=c2ccccc2=[NH+]C1 O=C(Nc1ccc2c(c1)CCC2)CS[C@H]1NN=C(O1)C1=c2ccccc2=[NH+]C1 O=C(CS[C@H]1NN=C(O1)C2=C3C=CC=CC3=[NH+]C2)Nc4ccc5CCCc5c4 InChIKey=POCJIGKNQVWRND-NRFANRHFSA-O InChI=1S/C21H20N4O2S/c26-19(23-15-9-8-13-4-3-5-14(13)10-15)12-28-21-25-24-20(27-21)17-11-22-18-7-2-1-6-16(17)18/h1-2,6-10,21,25H,3-5,11-12H2,(H,23,26)/p+1/t21-/m0/s1 InChI=1/C21H20N4O2S/c26-19(23-15-9-8-13-4-3-5-14(13)10-15)12-28-21-25-24-20(27-21)17-11-22-18-7-2-1-6-16(17)18/h1-2,6-10,21,25H,3-5,11-12H2,(H,23,26)/p+1/t21-/m0/s1/fC21H21N4O2S/h22-23H/q+1 c1ccc2=[NH+]CC(=c2c1)C3=NN[C@@H](O3)SCC(=O)Nc4ccc5c(c4)CCC5 C01[X(C21H21N4O2S1)] 141 C01 466 O=C(Nc1ccc2c(c1)CCC2)CS[C@H]1NN=C(O1)C1=c2ccccc2=[NH+]C1 O=C(N[C]1[CH][CH][C]2[C]([CH]1)CCC2)CS[C@H]1NN=C(O1)C1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1 O=C(CS[C@H]1NN=C(O1)C2=C3C=CC=C[C]3NC2)N[C]4[CH][CH][C]5CCC[C]5[CH]4 InChIKey=FYYMXNYOYAWXCU-NRFANRHFSA-N InChI=1S/C21H21N4O2S/c26-19(23-15-9-8-13-4-3-5-14(13)10-15)12-28-21-25-24-20(27-21)17-11-22-18-7-2-1-6-16(17)18/h1-2,6-10,21-22,25H,3-5,11-12H2,(H,23,26)/t21-/m0/s1 InChI=1/C21H21N4O2S/c26-19(23-15-9-8-13-4-3-5-14(13)10-15)12-28-21-25-24-20(27-21)17-11-22-18-7-2-1-6-16(17)18/h1-2,6-10,21-22,25H,3-5,11-12H2,(H,23,26)/t21-/m0/s1/f/h23H 2480.9507769529 -1572.2542783 1-A 21766.2162 103 363 466 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.04659 -20.74355 -20.61244 -15.78707 -15.75827 -15.73697 -15.67675 -11.49408 -11.47990 -11.47553 -11.46706 -11.45141 -11.44139 -11.42729 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534.8618 539.9748 550.8015 556.3882 592.5269 606.6445 611.5829 633.8212 641.9720 648.0241 662.7235 681.9467 739.5509 756.1332 786.2733 788.3488 806.7382 828.0044 829.2172 861.6811 862.9177 907.9234 930.9605 943.9030 946.6159 954.4007 954.6301 961.1722 977.6306 983.6973 986.0069 1007.5030 1023.0283 1047.1381 1054.5372 1063.4359 1077.4672 1087.0903 1090.6545 1098.7338 1128.3874 1133.4439 1157.4376 1162.1717 1169.0815 1199.0681 1201.2512 1219.7744 1244.8979 1256.4406 1263.3499 1283.8453 1285.0515 1293.8967 1301.1445 1308.6104 1319.1491 1325.5218 1332.9446 1359.4575 1392.9043 1396.9409 1417.1224 1428.6931 1460.3133 1474.7789 1476.8976 1481.1418 1483.0619 1504.6062 1517.3265 1537.1777 1571.7269 1574.0607 1582.5583 1591.9107 1611.1536 1618.5858 1629.4573 1634.0610 1646.6540 1656.6499 1669.8721 1730.1852 1746.1167 1769.9299 1796.8396 1823.8765 1832.7899 1877.2026 1968.3311 3197.6990 3198.7448 3221.3971 3222.3706 3238.6898 3248.8962 3249.1780 3255.1520 3277.6994 3285.6577 3307.8208 3330.5249 3365.7418 3392.0275 3408.5709 3413.8774 3436.0229 3460.9921 3834.3040 3868.2553 3870.8280 4.0232 5.8325 4.7578 5.9791 6.0152 5.8757 3.7521 5.6755 6.4099 4.3992 2.6403 6.7552 2.8496 5.4839 2.8266 6.6413 6.1809 2.3945 6.0704 6.0996 3.9252 7.2610 3.3410 6.5079 3.3308 4.0993 2.7866 8.3458 2.0030 4.1719 1.4549 1.9818 5.4446 1.6649 5.3836 3.9166 2.8898 2.1132 2.2615 6.1482 2.5975 6.0398 4.4829 3.8279 4.1182 4.4135 4.2678 3.2234 2.2805 1.9835 4.9235 2.5485 2.3199 1.9313 2.9344 1.8555 1.5902 7.7322 2.0769 1.6248 3.3237 1.9242 2.1040 2.6461 4.0908 6.6858 4.8998 2.2690 1.3427 3.0784 1.2976 1.3942 3.3682 1.7220 3.0940 2.9833 3.0287 3.3274 1.7529 1.2474 1.3221 1.5716 1.3012 1.0931 1.5042 1.5987 1.9358 1.6285 1.2882 2.2512 2.1477 1.3825 2.0313 1.4368 1.4390 1.6565 1.7966 1.4100 1.7597 1.3244 3.5716 1.6861 3.0206 1.2416 1.6232 2.1755 1.1150 1.1069 1.1010 3.5202 1.1110 2.6356 2.3051 5.3833 4.8687 4.1367 6.0258 6.0109 9.4579 9.3506 1.0687 1.0698 1.0710 1.0869 1.0598 1.0956 1.0603 1.0912 1.1048 1.1058 1.1055 1.0916 1.0923 1.0910 1.0941 1.0962 1.0983 1.0933 1.0795 1.0819 1.0780 0.0001 0.0005 0.0007 0.0035 0.0054 0.0103 0.0144 0.0266 0.0359 0.0371 0.0322 0.0915 0.0557 0.1216 0.0717 0.2083 0.2023 0.0850 0.2956 0.3643 0.2400 0.5215 0.2624 0.6210 0.3692 0.4971 0.3726 1.2116 0.3287 0.7032 0.2499 0.3542 0.9930 0.3444 1.1673 0.8631 0.6840 0.5131 0.5595 1.5910 0.7117 1.9463 1.5101 1.3943 1.5080 1.6924 1.7239 1.3059 0.9976 0.8702 2.3912 1.3014 1.2178 1.0196 1.5748 0.9963 0.8655 4.3541 1.1841 0.9307 1.9878 1.1865 1.3593 1.7337 2.7257 4.5731 3.4116 1.5902 0.9550 2.3093 0.9822 1.1004 2.6804 1.3867 2.6209 2.5364 2.6550 3.0383 1.6304 1.1730 1.2839 1.5291 1.2835 1.0903 1.5177 1.6391 2.0039 1.7048 1.4027 2.5734 2.4693 1.6358 2.4429 1.8053 1.8440 2.1288 2.3222 1.8272 2.3471 1.7965 4.9724 2.4541 4.4095 1.8321 2.4236 3.3273 1.7210 1.7316 1.7321 5.6237 1.7965 4.3300 4.0656 9.6705 8.9862 7.8690 11.8103 11.8964 19.6367 21.3444 6.4386 6.4494 6.5486 6.6492 6.5493 6.8133 6.5954 6.8126 6.9932 7.0335 7.1269 7.1339 7.2903 7.3958 7.4894 7.5274 7.6400 7.7157 9.3505 9.5379 9.5165 0.2111 1.1325 0.4734 4.3144 1.3204 1.5385 3.6429 0.7112 0.6662 6.0840 0.1091 0.2886 1.2088 4.6497 12.9539 5.1558 1.4735 1.8249 4.4726 35.6533 5.7123 14.9225 1.4086 7.6485 0.5119 0.1062 1.7128 73.4972 30.0989 26.3312 105.5154 64.0446 8.7412 25.7531 1.4822 5.6039 40.3946 229.3631 53.6913 18.8052 0.6691 4.0310 7.5392 93.6564 92.5792 51.7769 8.1205 11.7864 62.4123 115.4258 138.5678 1.8020 49.6199 1.6001 17.8529 10.6072 38.7360 12.7580 3.6919 6.7920 18.9216 12.2465 0.8899 21.1600 26.7059 8.0246 29.3666 2.7989 1.7172 24.4463 0.1777 1.9171 26.9815 3.6351 11.1497 96.2064 12.4682 63.9637 49.2272 1.7097 165.6385 46.9709 3.1496 1.2537 3.0999 53.1784 75.8551 7.5275 42.7987 240.8582 232.4251 39.2312 32.2689 15.5758 217.1191 2.0934 140.4479 6.4681 127.2109 78.3301 156.9113 27.8773 74.4474 36.2906 10.1293 17.4384 23.5002 1.5089 2.7208 567.2971 1.1726 86.7152 599.6266 20.5786 108.0753 61.3711 102.4657 615.1437 56.4228 260.2186 35.8025 41.9840 22.9648 37.7133 7.7973 38.2230 16.6607 52.4209 61.0855 0.2495 1.7450 27.6223 16.4301 2.2523 1.2159 0.4665 3.9932 1.1603 112.1986 252.6568 26.9335 5.2462 5.6749 7.7952 1.8688 1.4616 1.9066 1.1639 2.2889 1.1464 1.2020 1.2616 2.1202 1.3361 6.3314 0.6627 18.9598 5.0532 0.7449 4.5099 2.0492 2.4185 8.1119 2.6078 4.1577 1.7211 0.2328 0.0894 19.5682 0.5200 43.3745 2.9365 2.7703 2.5471 1.6175 13.2790 6.6691 52.6697 466.5016 99.7878 11.7950 1.6789 6.3911 3.6257 26.6436 28.1546 98.5652 7.1874 32.2619 69.7163 52.9354 147.8222 17.2998 16.5535 5.1123 26.0688 9.6732 1.0296 9.7940 1.9297 1.8532 17.3587 2.3097 6.4860 35.2033 5.4325 32.2208 221.8552 25.1080 2.4957 10.2760 4.9404 3.6994 10.0264 2.2339 41.0452 176.8740 4.0494 124.3197 4.3303 1.7119 71.8030 21.2640 9.1200 8.5043 8.9933 12.0503 4.8460 28.8864 14.1538 20.2329 89.7339 5.4442 258.9010 2.0202 84.0521 6.0900 36.4328 3.5381 23.8910 10.1792 93.1616 106.5427 0.5686 364.9111 9.8389 41.5135 18.0673 18.3597 21.0421 1784.9220 16.3397 3.5081 16.5781 878.7073 523.5840 30.0331 80.0912 1869.7001 1258.5753 31.2228 122.1974 148.5240 74.7804 130.5080 171.2772 94.0941 47.7772 143.7108 156.9563 96.1982 26.9281 63.5054 107.4539 78.6814 125.2291 255.0850 58.8710 55.6369 306.6485 112.4597 52.7888 0.7500 0.7411 0.7493 0.7494 0.7498 0.7447 0.7336 0.7088 0.7220 0.5834 0.6062 0.2794 0.3384 0.4055 0.6745 0.3616 0.6638 0.6726 0.2822 0.3108 0.5935 0.6803 0.7468 0.4405 0.6161 0.7481 0.7431 0.2740 0.7135 0.2707 0.5950 0.7299 0.7326 0.7445 0.0968 0.5091 0.2546 0.3811 0.3718 0.5312 0.2572 0.6709 0.7337 0.7365 0.6362 0.6243 0.7442 0.1020 0.4130 0.4138 0.2284 0.1124 0.3009 0.6355 0.4154 0.4146 0.6830 0.6065 0.5588 0.1650 0.0999 0.6746 0.7496 0.7069 0.5473 0.2787 0.3489 0.4204 0.7424 0.7151 0.7487 0.7499 0.4591 0.4742 0.1423 0.3421 0.6038 0.3897 0.2682 0.4992 0.1582 0.3446 0.6446 0.7208 0.2480 0.7147 0.3353 0.6922 0.7181 0.6340 0.1904 0.2471 0.2581 0.3198 0.4609 0.2989 0.3231 0.3809 0.1741 0.7174 0.2684 0.2796 0.5417 0.2165 0.4072 0.6273 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0.8550 0.4754 0.4672 0.3532 0.8222 0.5333 0.4947 0.6212 0.7642 0.5131 0.4937 0.4085 0.3126 0.3530 0.5190 0.5172 0.3373 0.6805 0.0933 0.2858 0.7457 0.8571 0.7316 0.4221 0.4889 0.8097 0.8108 0.2430 0.2373 0.3613 0.4028 0.5611 0.2557 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 6 6 6 6 7 1 6 6 6 6 6 7 7 6 1 8 16 6 6 8 7 6 6 6 6 6 6 6 6 6 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 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 1.00783 15.99491 31.97207 12.00000 12.00000 15.99491 14.00307 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 5589.0568 35535.5751 38701.5809 0.99999 -0.00484 -0.00061 0.00484 0.99997 0.00545 0.00059 -0.00545 0.99998 1 0.01550 0.00244 0.00224 0.32291 0.05079 0.04663 10.20 18.04 23.08 45.27 56.13 78.40 116.28 128.41 140.24 172.24 207.04 218.12 262.15 279.12 298.59 331.93 339.14 353.06 413.63 458.11 463.47 502.34 525.32 579.04 624.05 652.75 685.43 714.18 759.36 769.55 776.90 792.48 800.52 852.51 872.83 879.93 911.93 923.65 932.36 953.51 981.17 1064.05 1087.91 1131.27 1134.26 1160.72 1191.31 1193.06 1239.77 1241.55 1306.30 1339.44 1358.07 1361.97 1373.17 1373.50 1382.91 1406.59 1415.32 1418.64 1449.57 1471.91 1506.60 1517.24 1530.05 1550.23 1564.08 1569.21 1580.83 1623.50 1630.77 1665.29 1672.11 1682.05 1725.19 1728.33 1754.98 1791.13 1807.74 1817.68 1847.17 1848.90 1861.63 1872.06 1882.80 1897.96 1907.13 1917.81 1955.96 2004.08 2009.89 2038.92 2055.57 2101.07 2121.88 2124.93 2131.03 2133.80 2164.79 2183.09 2211.66 2261.36 2264.72 2276.95 2290.40 2318.09 2328.78 2344.43 2351.05 2369.17 2383.55 2402.57 2489.35 2512.27 2546.53 2585.25 2624.15 2636.98 2700.88 2831.99 4600.78 4602.28 4634.87 4636.27 4659.75 4674.44 4674.84 4683.44 4715.88 4727.33 4759.22 4791.88 4842.55 4880.37 4904.17 4911.81 4943.67 4979.60 5516.71 5565.56 5569.26 0.424014 0.446801 0.447746 0.365726 -1571.830264 -1571.807477 -1571.806533 -1571.888553 2.750964D-04 MUNgauss RevisionA2.0 retrievium 10-Aug-2020 DUDE c1ccc2=[NH+]CC(=c2c1)C3=NN[C@@H](O3)SCC(=O)Nc4ccc5c(c4)CCC5 C40061898 RHF 6-31G(d) (6D,10F) C1 393.138523 |X|Y|Z| 135.941656 49.806007 28.371779 57.699708 27 6 7 8 16 21 4 1 1 |36.858105| |13.164649|36.858105| |7.704632|14.052383|36.858105| |6.818434|8.082415|13.464884|36.858105| |4.656246|5.259997|7.723090|14.486804|53.358707| |3.950684|4.644154|6.820570|9.272653|26.006889|0.500000| |4.097180|4.149157|5.193761|8.350049|17.938146|0.244442|36.858105| |5.138801|4.655760|5.302016|8.452253|11.319607|0.162371|12.716973|36.858105| |7.975426|6.892437|7.654305|13.172821|11.466618|0.164160|8.162991|14.039929|36.858105| 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|1.731992|1.624518|1.664726|1.850997|2.594652|0.049950|2.150499|2.239709|2.020335|1.930102|2.519345|3.438396|3.875688|2.913295|0.071316|4.918849|25.984012|5.023467|7.612299|11.470678|18.267659|36.858105| |1.567367|1.481224|1.523077|1.686552|2.380546|0.046209|1.966961|2.019187|1.821803|1.735034|2.257103|3.061609|3.454776|2.659214|0.066778|4.453906|24.118337|4.199487|6.266073|11.579532|10.484441|13.710060|36.858105| |1.423491|1.353193|1.387217|1.517692|2.134431|0.041739|1.735257|1.771790|1.622407|1.556184|1.945645|2.643571|2.927437|2.227927|0.056848|3.773434|19.356972|3.225242|4.306715|7.928659|6.960767|7.939256|13.717678|36.858105| |1.404938|1.336401|1.363103|1.479012|2.064550|0.040421|1.658813|1.700211|1.576489|1.524615|1.846457|2.520164|2.748270|2.050688|0.052221|3.515050|17.208543|2.905330|3.673439|6.395780|6.186699|6.868539|7.922098|13.798007|36.858105| |1.520422|1.439331|1.462428|1.586965|2.200759|0.042876|1.765627|1.826837|1.700805|1.652679|1.983367|2.719957|2.948678|2.162504|0.054351|3.733553|17.867448|3.144137|3.901355|6.386393|7.078313|7.953444|6.872185|7.960273|13.724307|36.858105| |1.699347|1.596038|1.623705|1.782156|2.471708|0.047729|2.009457|2.099941|1.933818|1.871258|2.314066|3.179187|3.485720|2.545853|0.062730|4.382107|21.355926|4.014812|5.160906|7.858218|10.849832|13.680386|7.898636|6.869309|7.923371|13.809771|36.858105| |1.442785|1.370888|1.384911|1.484095|2.042977|0.039974|1.613522|1.669221|1.578827|1.548879|1.784571|2.454548|2.613377|1.893151|0.047980|3.300621|15.138120|2.594605|3.031779|4.990723|5.187518|4.951999|4.459254|5.162584|7.985593|12.592370|7.301792|36.858105| |1.304137|1.249151|1.267001|1.352752|1.872845|0.036911|1.473188|1.506548|1.425351|1.392324|1.600015|2.185489|2.321623|1.704101|0.043714|2.975465|13.647155|2.262258|2.640783|4.503467|4.303558|4.040476|4.035281|5.099471|7.975577|7.973546|5.104608|12.341764|36.858105| |1.279106|1.223045|1.244054|1.336140|1.859230|0.036611|1.475382|1.506414|1.412409|1.373518|1.615720|2.206764|2.375999|1.764113|0.045447|3.042440|14.440798|2.362775|2.843984|4.998931|4.561689|4.458800|4.937198|7.271214|12.592712|7.981492|5.154140|7.765295|12.342165|36.858105| |17.756701|8.772651|5.585990|4.929336|5.021076|0.089947|3.351393|4.103090|5.635900|9.052352|3.564430|5.079739|4.051363|2.600732|0.068777|5.070656|15.230645|2.215194|1.899299|3.087109|2.537362|1.656739|1.500995|1.370904|1.359214|1.472116|1.636785|1.406257|1.270630|1.243457|0.500000| |8.796804|17.723685|9.092690|5.705971|5.716632|0.108541|3.396481|3.687600|4.963646|5.651872|3.004824|3.953680|3.273421|2.236820|0.059789|4.494410|13.454498|1.945864|1.699997|2.794545|2.273946|1.504294|1.377712|1.268269|1.257853|1.352410|1.487358|1.297869|1.187238|1.159081|0.215732|0.500000| |5.518326|8.943029|17.754724|8.760518|9.243189|0.192934|4.543033|4.301975|5.493701|4.808323|3.255992|3.977114|3.320850|2.384028|0.063825|5.014621|14.377812|2.059958|1.795350|2.966721|2.376154|1.566239|1.442702|1.322221|1.300863|1.389792|1.531208|1.321508|1.216926|1.193601|0.123140|0.216688|0.500000| |3.559238|3.600706|4.384489|6.305264|12.328113|0.205256|17.558202|8.872421|6.199261|4.282118|6.628252|6.383368|5.426060|4.573941|0.124670|11.756308|25.095901|3.256213|2.657870|4.442957|3.268457|2.058593|1.912387|1.688782|1.600933|1.684892|1.904549|1.535096|1.412919|1.426687|0.083070|0.084159|0.110434|0.500000| |3.558501|3.599066|4.381937|6.301648|12.325490|0.205226|17.557884|8.864985|6.197662|4.282148|6.607965|6.332478|5.441790|4.461578|0.111298|11.911194|26.090297|3.732861|3.013248|4.878930|3.780851|2.348783|2.136224|1.872621|1.786717|1.906884|2.185003|1.731085|1.577732|1.578741|0.083061|0.084122|0.110363|0.300950|0.500000| |8.990796|5.575125|4.809670|5.495930|5.839139|0.098124|4.423935|6.569105|8.739259|17.773479|6.142611|9.765735|6.591225|3.877063|0.099195|7.629802|20.920598|3.029384|2.456277|3.922296|3.205672|2.019943|1.806886|1.613614|1.579296|1.716477|1.954347|1.603274|1.433031|1.417418|0.214549|0.123794|0.105126|0.107523|0.107553|0.500000| |3.020905|2.569207|2.545383|2.988135|3.945807|0.070450|3.484693|4.432471|3.797980|3.788144|6.493447|13.087124|25.966858|9.035425|0.219309|10.897602|42.090540|5.112409|3.794405|6.117297|4.470552|2.669868|2.411107|2.063964|1.939688|2.068443|2.415724|1.844083|1.644093|1.688582|0.079283|0.063072|0.062448|0.095163|0.092751|0.124668|0.500000| |2.530337|2.335171|2.461597|2.948067|4.251518|0.078178|3.920997|4.207778|3.395041|3.022242|5.269285|6.582078|7.673456|6.421676|0.133385|11.802925|56.213002|17.584294|8.886646|11.207316|9.512743|4.665724|3.878101|3.051791|2.798479|3.058556|3.882917|2.559059|2.235589|2.297674|0.064435|0.057644|0.062428|0.101549|0.124871|0.087848|0.126041|0.500000| |2.526934|2.257360|2.298800|2.686555|3.699665|0.067680|3.280010|3.775915|3.195142|3.029522|4.950202|7.230979|9.646119|6.581712|0.136109|9.872117|56.240559|17.614397|8.810821|10.851650|9.803757|4.735844|3.851045|3.041900|2.817579|3.117247|4.000430|2.616199|2.243634|2.313484|0.065872|0.056092|0.057760|0.085808|0.097326|0.092402|0.165201|0.301055|0.500000| |2.123338|1.957474|2.001126|2.265122|3.146038|0.059343|2.656532|2.858339|2.542635|2.423339|3.303703|4.546861|5.157188|3.734184|0.086652|6.381992|32.171692|7.777879|9.506254|10.879909|26.067315|9.328679|5.743949|4.289403|4.090796|4.948929|7.702456|3.819053|3.078240|3.131043|0.055947|0.049635|0.051447|0.068917|0.081282|0.071266|0.094988|0.205015|0.221167|0.500000| |1.564358|1.479577|1.527865|1.701572|2.418145|0.046940|2.017041|2.059868|1.839394|1.739436|2.322850|3.133373|3.583009|2.829934|0.071621|4.673619|26.736907|4.431756|6.852592|14.963674|9.522960|8.909502|17.826208|8.916598|5.649779|4.960044|5.633706|3.567952|3.327595|4.013649|0.041478|0.038135|0.040201|0.055074|0.060773|0.050303|0.069525|0.111332|0.108857|0.143266|0.500000| |1.334601|1.273645|1.307604|1.426842|2.012283|0.039520|1.631610|1.655307|1.517316|1.453766|1.810625|2.453792|2.712604|2.082393|0.053851|3.520129|18.049566|2.881884|3.742692|7.196935|5.642541|5.655576|8.953435|17.704930|8.902954|5.645606|4.949199|4.210159|4.464816|6.556131|0.035726|0.033241|0.034745|0.044457|0.048698|0.041766|0.053438|0.075787|0.075096|0.098127|0.216392|0.500000| |1.824166|1.704133|1.724613|1.889986|2.597804|0.049916|2.102142|2.221899|2.062250|2.009921|2.438936|3.371772|3.648564|2.604564|0.063567|4.533965|21.156685|4.074299|4.843087|7.083534|10.023183|8.873940|5.621806|4.946235|5.632689|8.913759|17.668172|6.608849|4.481966|4.212257|0.048878|0.044056|0.044977|0.054684|0.063477|0.058463|0.069845|0.111714|0.117155|0.237085|0.123835|0.107395|0.500000| |1.493600|1.423568|1.438458|1.536823|2.111775|0.041367|1.657723|1.712059|1.628261|1.597493|1.812755|2.482458|2.610108|1.882847|0.047552|3.327287|14.820901|2.559779|2.913911|4.721169|4.980462|4.497144|3.907476|4.262867|5.870420|8.732846|6.563854|17.559550|8.650706|5.646765|0.040410|0.037475|0.038171|0.043502|0.049570|0.045730|0.050842|0.071471|0.071936|0.105356|0.089192|0.098831|0.186115|0.500000| |1.429652|1.350625|1.354605|1.446079|1.975949|0.038553|1.556696|1.625471|1.546258|1.531954|1.743606|2.425420|2.586499|1.850552|0.047026|3.198407|14.676291|2.493984|2.871481|4.726983|4.838616|4.443706|3.996583|4.505341|6.391023|8.881735|6.247285|17.510148|8.722041|6.434362|0.038940|0.035593|0.035818|0.041165|0.046014|0.044308|0.051155|0.067468|0.071118|0.100024|0.090999|0.104929|0.166419|0.302688|0.500000| |1.297565|1.250939|1.274981|1.360300|1.892012|0.037453|1.483722|1.503956|1.422894|1.381963|1.584451|2.145099|2.262368|1.671787|0.042904|2.951135|13.329700|2.204887|2.552385|4.354533|4.123090|3.790091|3.785590|4.654610|6.634545|6.634904|4.659803|8.823146|17.551681|8.820760|0.035006|0.033047|0.034147|0.039487|0.044354|0.039266|0.044250|0.061424|0.060159|0.082221|0.088197|0.115463|0.115891|0.221963|0.174776|0.500000| |1.237933|1.186396|1.198509|1.271643|1.752992|0.034598|1.370147|1.403747|1.337292|1.314102|1.484885|2.036395|2.153350|1.571708|0.040547|2.741827|12.440526|2.032066|2.327369|3.985417|3.713859|3.351400|3.347275|4.093648|5.740484|5.740335|4.099285|8.652451|17.583681|8.645964|0.033653|0.031454|0.032028|0.036545|0.040511|0.037575|0.042605|0.055677|0.056426|0.074500|0.079123|0.103885|0.104340|0.192214|0.218760|0.302470|0.500000| 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