Version2.1 2021-01-10T21:44:56Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 19-Dec-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)CCNC(=O)CS[C@@H]3NN=C(N3C[C@@H]4CCCO4)c5cccs5 C63926162 RHF 6-31G(d) (6D,7F) c1ccc2=[NH+]CC(=c2c1)CCNC(=O)CS[C@@H]3NN=C(N3C[C@@H]4CCCO4)c5cccs5 C01[X(C23H28N5O2S2)] 174 C1 544 O=C(CS[C@@H]1NN=C(N1C[C@@H]1CCCO1)c1cccs1)NCCC1=c2ccccc2=[NH+]C1 O=C(CS[C@@H]1NN=C(N1C[C@@H]1CCCO1)c1cccs1)NCCC1=c2ccccc2=[NH+]C1 O=C(CS[C@@H]1NN=C(N1C[C@@H]2CCCO2)c3sccc3)NCCC4=C5C=CC=CC5=[NH+]C4 InChIKey=MTIUQEMNFMOQJC-GAJHUEQPSA-O InChI=1S/C23H27N5O2S2/c29-21(24-10-9-16-13-25-19-7-2-1-6-18(16)19)15-32-23-27-26-22(20-8-4-12-31-20)28(23)14-17-5-3-11-30-17/h1-2,4,6-8,12,17,23,27H,3,5,9-11,13-15H2,(H,24,29)/p+1/t17-,23+/m0/s1 InChI=1/C23H27N5O2S2/c29-21(24-10-9-16-13-25-19-7-2-1-6-18(16)19)15-32-23-27-26-22(20-8-4-12-31-20)28(23)14-17-5-3-11-30-17/h1-2,4,6-8,12,17,23,27H,3,5,9-11,13-15H2,(H,24,29)/p+1/t17-,23+/m0/s1/fC23H28N5O2S2/h24-25H/q+1 c1ccc2=[NH+]CC(=c2c1)CCNC(=O)CS[C@@H]3NN=C(N3C[C@@H]4CCCO4)c5cccs5 C01[X(C23H28N5O2S2)] 174 C01 544 O=C(CS[C@@H]1NN=C(N1C[C@@H]1CCCO1)c1cccs1)NCCC1=c2ccccc2=[NH+]C1 O=C(CS[C@@H]1NN=C(N1C[C@@H]1CCCO1)C1=[CH][CH]=CS1)NCCC1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1 O=C(CS[C@@H]1NN=C(N1C[C@@H]2CCCO2)c3sccc3)NCCC4=C5C=CC=C[C]5NC4 InChIKey=GODBESUXMLGZGI-GAJHUEQPSA-N InChI=1S/C23H28N5O2S2/c29-21(24-10-9-16-13-25-19-7-2-1-6-18(16)19)15-32-23-27-26-22(20-8-4-12-31-20)28(23)14-17-5-3-11-30-17/h1-2,4,6-8,12,17,23,25,27H,3,5,9-11,13-15H2,(H,24,29)/t17-,23+/m0/s1 InChI=1/C23H28N5O2S2/c29-21(24-10-9-16-13-25-19-7-2-1-6-18(16)19)15-32-23-27-26-22(20-8-4-12-31-20)28(23)14-17-5-3-11-30-17/h1-2,4,6-8,12,17,23,25,27H,3,5,9-11,13-15H2,(H,24,29)/t17-,23+/m0/s1/f/h24H 3418.2229177331 -2104.0094245 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0.1808 0.1774 0.1398 0.1476 0.5806 0.4002 0.2736 0.5818 0.4054 0.5299 0.4054 0.2816 0.2080 0.5246 0.6329 0.3641 0.4493 0.6320 0.8614 0.4254 0.6898 0.6201 0.5081 0.9875 1.5775 1.0297 0.9923 1.1358 1.9688 1.4255 1.8214 1.6168 1.8577 1.3097 0.5214 1.5758 0.6008 1.2122 1.3855 1.1883 2.2637 1.0014 0.8003 2.8672 1.3944 1.3470 1.3813 0.8958 1.1495 1.5059 1.1485 1.1620 3.0709 1.6843 0.9346 1.9069 1.3183 2.0992 0.9659 1.4214 2.1479 2.6869 2.0051 1.8430 1.0951 1.9301 2.7375 2.9308 1.0650 1.9931 2.1149 3.8887 1.3705 2.5070 1.2587 1.1385 1.2085 1.4588 2.3491 1.6545 1.4534 1.8501 1.3536 1.4156 1.7279 1.7081 1.8509 2.2293 1.5615 1.6531 1.5723 1.6356 1.9381 2.1663 1.7587 2.4157 2.2078 2.0103 3.5953 2.6753 2.0498 1.8091 2.0492 2.1292 3.1239 2.2838 2.5410 1.6918 2.4157 1.9395 1.7860 1.9563 4.5164 1.7982 2.5563 1.8541 3.4180 9.6150 10.5105 8.0903 12.2164 22.7128 18.5445 6.5041 6.4937 6.5093 6.6043 6.6402 6.6531 6.6477 6.6574 6.6621 6.9478 6.9561 7.0720 7.1005 7.1142 7.1404 7.1672 7.2654 7.2686 7.3799 7.4265 7.4599 7.5181 7.5704 7.5753 7.6996 9.4172 9.5637 9.5734 0.6835 0.5506 0.7655 0.8168 0.9226 2.1759 1.1929 1.8789 0.0677 4.3723 2.9936 6.0568 4.9450 4.6147 1.1273 2.5884 3.5171 1.1837 5.0413 13.8172 1.9122 1.6937 2.0998 0.8712 2.0652 0.5612 5.3523 6.7260 16.1047 7.8480 0.8050 31.0547 42.6278 31.4680 4.9369 47.5576 33.1382 38.8070 11.9263 26.5168 12.6821 19.8981 44.0618 2.3014 9.6221 5.5852 54.1332 36.0646 51.5754 14.5214 5.6997 35.4789 17.5617 8.8664 110.5562 5.6922 152.2487 101.6155 5.6511 100.2611 38.5427 44.3001 6.3717 7.8803 1.0336 9.2105 5.6998 23.6292 2.3595 26.6129 14.0162 14.4596 15.8814 9.8084 8.3674 7.1909 16.2335 0.2439 11.8110 36.7629 13.1408 0.1939 3.9911 39.9615 3.0228 65.9882 37.1381 1.8080 47.6439 17.1956 82.4910 1.7556 26.7765 16.4237 145.1082 89.1031 26.5985 27.9745 18.3203 3.1837 30.4693 93.5936 9.8128 19.8756 17.9954 6.6670 17.4701 69.8363 67.0374 81.6202 47.7702 3.8701 143.6968 33.1160 34.4973 23.6324 24.9383 18.8344 23.9425 11.0922 7.3064 69.8343 84.9129 23.4485 29.3337 148.1048 36.0404 26.3185 22.0862 21.8323 12.2335 98.1856 7.1194 6.2432 16.4863 20.2005 3.9797 102.9049 2.2201 314.0398 1.5620 13.2349 124.9486 533.6302 71.2925 375.9457 34.2013 25.8414 50.2582 42.3330 2.7603 25.3432 25.0696 13.0944 7.2033 38.5873 19.5956 66.4881 2.3993 15.4133 20.3554 16.7283 0.6900 1.0733 2.3510 0.0174 6.1793 0.8743 1.8011 0.4238 1.3436 27.9259 197.1432 76.3829 3.1915 3.8105 3.7908 1.0034 1.9414 0.4410 3.1154 4.8656 0.7809 0.2336 0.5138 0.5730 2.4021 0.8199 1.5334 0.8941 1.8084 1.1539 1.0843 1.3951 0.7072 2.2499 0.7965 3.6888 1.1906 1.5052 1.1734 4.0773 3.5550 0.6532 1.1553 13.1709 12.6508 6.1297 5.3674 2.8928 3.0900 7.4909 1.3032 3.0472 3.3378 6.0238 2.8455 2.0722 1.7742 7.9892 31.9553 3.3316 12.7732 3.9667 2.4722 8.2244 1.2970 12.2632 11.7741 5.2361 23.8629 8.5105 4.1332 5.8251 4.8416 19.4733 5.5648 4.9289 2.9263 1.3520 4.9413 4.5518 3.4610 6.8904 3.7032 0.4900 22.2329 7.9650 6.4721 6.4111 13.4265 5.0105 7.3891 4.2075 34.8529 4.5094 7.9678 5.8819 6.4430 9.5797 2.7651 3.3462 2.9811 3.7011 3.8129 9.6761 4.9270 12.1900 4.9928 10.7015 0.6430 9.8269 18.0911 5.9710 1.5176 7.0249 19.0637 10.8821 12.0841 13.7707 18.4908 6.0723 4.2780 3.0760 127.2392 3.8629 8.0146 15.7762 4.6473 1.3244 2.4349 2.4406 9.3630 6.0487 6.9442 139.9021 6.3392 11.7707 45.0128 38.2675 3.7651 76.9860 9.8218 34.9257 10.4892 126.3522 30.8854 32.1994 16.3446 208.6920 10.7585 60.6997 10.3891 3.0287 77.7093 60.5232 12.3288 89.3833 232.8460 3.1625 52.2056 34.2810 44.1657 131.5651 60.5464 56.5218 18.7827 245.2295 64.0700 105.5754 73.7470 93.0175 55.2012 118.0546 41.3723 52.5260 29.8203 100.7352 67.4626 81.3162 112.7897 123.2074 217.6742 90.3860 180.0882 105.5952 87.4193 78.8435 0.7489 0.7497 0.7483 0.7497 0.7500 0.7417 0.7497 0.7287 0.7355 0.6801 0.5868 0.3062 0.6923 0.7304 0.7499 0.6400 0.6822 0.4691 0.3695 0.4731 0.7175 0.2552 0.7280 0.6386 0.0670 0.5851 0.6650 0.1485 0.3157 0.7439 0.1679 0.3363 0.3835 0.4192 0.2836 0.7067 0.2274 0.5898 0.4093 0.2638 0.7403 0.3749 0.7353 0.6503 0.2131 0.5001 0.2807 0.4501 0.1722 0.6957 0.7480 0.5994 0.6268 0.0823 0.2898 0.7483 0.1884 0.4838 0.7482 0.7500 0.1153 0.6392 0.3040 0.2141 0.5686 0.7475 0.7445 0.1545 0.5325 0.4724 0.2952 0.4522 0.1959 0.2616 0.0865 0.5641 0.5355 0.7498 0.5739 0.5167 0.2675 0.6971 0.6585 0.6378 0.6372 0.7455 0.3640 0.7491 0.1983 0.7499 0.4103 0.3694 0.3999 0.5004 0.3536 0.1611 0.5632 0.4398 0.2222 0.4742 0.7470 0.7494 0.7392 0.7473 0.4009 0.7425 0.4206 0.6105 0.1683 0.7173 0.2559 0.7376 0.6119 0.5259 0.5646 0.4733 0.7486 0.6404 0.4828 0.3513 0.4957 0.1856 0.6585 0.3459 0.4038 0.3753 0.6778 0.2825 0.2399 0.6330 0.6660 0.2562 0.3711 0.6860 0.7479 0.2869 0.7078 0.2184 0.6425 0.7247 0.6662 0.3889 0.2981 0.4116 0.2292 0.2416 0.2986 0.2434 0.5429 0.1261 0.4443 0.0893 0.2877 0.0836 0.1404 0.2764 0.3037 0.7292 0.3127 0.6027 0.4718 0.7227 0.6324 0.2787 0.6284 0.7500 0.5876 0.2946 0.1282 0.2807 0.2073 0.2625 0.3336 0.1957 0.8564 0.8569 0.8560 0.8569 0.8571 0.8517 0.8570 0.8430 0.8476 0.8096 0.7396 0.4689 0.8182 0.8442 0.8571 0.7805 0.8111 0.6386 0.5397 0.6423 0.8355 0.4066 0.8426 0.7794 0.1255 0.7382 0.7988 0.2586 0.4799 0.8531 0.2875 0.5034 0.5544 0.5908 0.4419 0.8282 0.3705 0.7420 0.5809 0.4174 0.8508 0.5453 0.8475 0.7881 0.3513 0.6667 0.4384 0.6208 0.2938 0.8206 0.8558 0.7496 0.7706 0.1520 0.4494 0.8560 0.3171 0.6521 0.8559 0.8571 0.2068 0.7799 0.4663 0.3527 0.7249 0.8555 0.8535 0.2676 0.6950 0.6417 0.4558 0.6227 0.3276 0.4147 0.1592 0.7213 0.6975 0.8570 0.7293 0.6814 0.4221 0.8215 0.7941 0.7789 0.7784 0.8542 0.5337 0.8566 0.3310 0.8571 0.5818 0.5395 0.5714 0.6670 0.5224 0.2775 0.7206 0.6109 0.3636 0.6434 0.8552 0.8568 0.8500 0.8554 0.5723 0.8522 0.5922 0.7581 0.2882 0.8354 0.4075 0.8490 0.7592 0.6893 0.7218 0.6425 0.8562 0.7808 0.6512 0.5200 0.6628 0.3131 0.7941 0.5140 0.5753 0.5457 0.8079 0.4405 0.3869 0.7752 0.7995 0.4079 0.5413 0.8137 0.8557 0.4459 0.8289 0.3585 0.7824 0.8404 0.7997 0.5600 0.4593 0.5831 0.3730 0.3892 0.4599 0.3915 0.7038 0.2240 0.6153 0.1639 0.4468 0.1543 0.2463 0.4331 0.4659 0.8434 0.4764 0.7521 0.6412 0.8391 0.7748 0.4360 0.7718 0.8571 0.7402 0.4551 0.2273 0.4384 0.3434 0.4158 0.5003 0.3273 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 57 58 59 60 6 6 6 6 7 1 6 6 6 6 6 6 7 6 8 6 16 6 1 7 7 6 7 6 6 1 6 6 6 8 6 6 6 6 16 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 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 1.00783 14.00307 14.00307 12.00000 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 31.97207 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 7563.4998 43479.8251 47518.9463 0.99999 -0.00530 -0.00122 0.00532 0.99982 0.01832 0.00113 -0.01832 0.99983 1 0.01145 0.00199 0.00182 0.23861 0.04151 0.03798 11.04 16.26 19.81 34.11 37.14 51.70 62.45 65.70 80.28 87.58 106.93 112.64 149.42 155.86 172.45 179.57 218.30 234.74 267.82 289.12 314.30 322.76 350.32 374.13 412.90 437.24 444.01 497.95 523.75 560.16 615.34 625.80 643.05 676.02 703.59 709.76 715.06 747.63 776.38 800.20 802.21 834.47 843.28 897.87 903.59 912.27 968.70 996.74 1015.20 1036.99 1044.19 1093.10 1110.09 1140.76 1154.68 1163.18 1177.57 1178.46 1198.63 1228.98 1246.33 1288.80 1302.77 1321.81 1353.83 1366.88 1376.94 1390.99 1401.43 1406.44 1432.85 1437.34 1444.67 1458.93 1467.52 1502.53 1520.62 1529.09 1546.39 1559.09 1575.71 1609.99 1620.81 1622.85 1625.93 1659.04 1661.38 1663.99 1683.66 1715.89 1725.78 1749.34 1772.15 1792.04 1808.73 1824.33 1829.91 1839.09 1868.48 1880.98 1894.77 1912.07 1916.50 1922.10 1974.29 1983.31 1988.05 2028.27 2031.67 2032.30 2039.52 2065.67 2073.60 2104.21 2113.58 2121.59 2133.33 2158.77 2161.69 2168.79 2174.11 2211.34 2222.27 2236.39 2237.80 2240.33 2264.18 2271.01 2278.78 2297.36 2328.66 2331.97 2342.28 2352.53 2365.27 2365.40 2376.15 2381.60 2431.26 2460.94 2502.05 2543.36 2545.23 2661.09 2727.74 2766.62 4587.94 4618.86 4645.70 4651.73 4682.86 4683.90 4688.03 4689.08 4691.56 4709.62 4719.10 4736.86 4750.55 4765.84 4770.09 4772.95 4810.39 4837.29 4876.23 4892.59 4901.75 4904.96 4918.01 4926.93 4958.52 5538.95 5573.33 5579.87 0.531728 0.560325 0.561270 0.464023 -2103.477697 -2103.449099 -2103.448155 -2103.545401 3.261647D-04 MUNgauss RevisionA2.0 retrievium 10-Jan-2021 DUDE c1ccc2=[NH+]CC(=c2c1)CCNC(=O)CS[C@@H]3NN=C(N3C[C@@H]4CCCO4)c5cccs5 C63926162 RHF 6-31G(d) (6D,10F) C1 470.168444 |X|Y|Z| 149.688697 33.642993 57.461619 66.143499 31 6 7 8 16 23 5 1 2 |36.858105| |13.169705|36.858105| |7.712394|14.067931|36.858105| |6.815914|8.071932|13.433389|36.858105| |4.658385|5.260061|7.719049|14.520650|53.358707| |3.951666|4.643110|6.814361|9.282311|26.017056|0.500000| |4.101364|4.149983|5.191264|8.360198|17.893492|0.243964|36.858105| |5.132332|4.644324|5.283074|8.409218|11.258873|0.161816|12.711603|36.858105| |7.952878|6.878990|7.650663|13.202177|11.506122|0.164534|8.209350|14.025038|36.858105| |14.201364|7.865699|6.612809|7.647369|7.209998|0.117684|5.078552|7.422883|13.203630|36.858105| |4.144766|3.588702|3.797820|5.100030|6.919391|0.113227|7.248079|12.730123|7.398318|5.814513|36.858105| |3.471154|3.075746|3.238383|4.124128|5.747556|0.098876|5.707821|7.476211|5.329764|4.518421|12.204997|36.858105| |2.773983|2.527339|2.674145|3.293170|4.763544|0.085595|4.656403|5.239543|3.938216|3.419888|7.603554|13.226881|53.358707| |2.538717|2.389954|2.593891|3.204483|4.878796|0.089785|4.886662|4.843024|3.624281|3.050746|6.113662|7.869735|19.221071|36.858105| |2.692164|2.594102|2.902990|3.691727|5.955288|0.109631|6.410168|5.593843|4.034673|3.227286|6.245179|7.044986|11.658556|15.778764|73.516695| |2.118777|2.010979|2.158984|2.568738|3.864357|0.073409|3.599593|3.520910|2.823521|2.469599|4.225709|5.025576|10.605542|12.580031|14.198864|36.858105| |1.997710|1.865593|1.959581|2.288420|3.332004|0.063051|3.007993|3.100233|2.559455|2.321867|3.851581|4.276163|8.391109|6.888172|8.987364|10.465951|388.023441| |1.674229|1.585684|1.662123|1.895260|2.757151|0.053320|2.392578|2.403816|2.060449|1.895311|2.807754|3.085983|5.461237|4.475549|6.543608|6.648476|72.352777|36.858105| |1.613468|1.520104|1.579422|1.786246|2.567423|0.049582|2.202002|2.246139|1.950273|1.819739|2.630063|2.838747|4.867865|3.793925|5.651133|5.072261|57.711570|17.715031|0.500000| |1.587436|1.523847|1.611487|1.831046|2.697592|0.052853|2.321120|2.266182|1.952312|1.780155|2.562709|2.738907|4.662922|4.001541|6.244299|5.740343|48.392350|13.250175|0.252660|53.358707| |1.539199|1.490557|1.585115|1.795608|2.665320|0.052706|2.276032|2.183500|1.890118|1.715085|2.417592|2.635767|4.436189|3.871778|6.184111|5.531979|37.761380|8.273690|0.167360|18.579276|53.358707| |1.539178|1.482402|1.567006|1.770864|2.604944|0.051262|2.219381|2.160658|1.877366|1.716539|2.413480|2.711932|4.611885|3.894481|6.031125|5.575775|37.724683|8.449175|0.170732|12.175403|20.589974|36.858105| |1.606305|1.526849|1.599071|1.811561|2.630999|0.051137|2.257649|2.258865|1.956168|1.806091|2.597800|2.956354|5.171297|4.164752|6.129876|6.040867|48.759905|13.250901|0.251627|11.614716|11.635481|13.631873|53.358707| |1.511359|1.429437|1.480605|1.657266|2.370742|0.046058|2.000145|2.034511|1.794695|1.687288|2.333481|2.659166|4.478712|3.385480|5.070002|4.379656|36.110647|7.584813|0.202376|7.470329|7.379643|7.559632|17.783822|36.858105| |1.366753|1.297405|1.339306|1.483739|2.114352|0.041325|1.758517|1.783600|1.594582|1.510670|2.016151|2.227272|3.619759|2.739207|4.244001|3.400415|28.446426|5.970713|0.181756|6.746640|6.466176|5.850369|10.290057|12.506618|36.858105| |1.314656|1.257152|1.304068|1.442254|2.068000|0.040678|1.713372|1.715255|1.535348|1.446742|1.913555|2.098210|3.385543|2.620062|4.130975|3.268372|26.152284|5.572583|0.159360|7.085201|7.225839|6.462689|9.597100|8.890111|17.500287|0.500000| |1.280663|1.214050|1.244364|1.365450|1.927914|0.037723|1.583381|1.617302|1.465879|1.404998|1.814313|2.002399|3.166393|2.338773|3.672083|2.767373|22.434196|4.111253|0.124199|4.829165|4.737245|4.133856|6.695091|7.443586|12.477829|0.245563|36.858105| |1.205487|1.143805|1.169303|1.276500|1.797111|0.035233|1.466572|1.498623|1.366959|1.316284|1.672572|1.806836|2.816159|2.083064|3.315187|2.426091|20.019298|3.604236|0.113270|4.410776|4.185230|3.422108|5.335147|5.094909|8.054610|0.190873|12.458273|36.858105| |1.274966|1.205356|1.232907|1.353005|1.906527|0.037237|1.567549|1.607973|1.457112|1.400331|1.813586|1.938755|3.053467|2.263540|3.575004|2.664103|23.234528|4.297924|0.146427|5.138667|4.566378|3.615420|5.865361|5.312533|8.160804|0.184222|7.989067|12.430105|36.858105| |1.378307|1.302985|1.340869|1.485748|2.109453|0.041102|1.756727|1.794923|1.604798|1.526311|2.044456|2.211320|3.581128|2.692871|4.176217|3.303572|29.860013|6.254525|0.227277|6.955258|5.957532|4.847032|8.551920|7.944844|13.515397|0.258726|8.187150|8.071678|13.451622|73.516695| |1.463291|1.418835|1.500673|1.681380|2.471280|0.049022|2.072102|2.002939|1.763196|1.616850|2.191478|2.486511|4.089173|3.386899|5.414088|4.434588|28.007947|5.190229|0.118323|7.305173|10.834454|12.989635|10.282683|6.057536|4.929662|0.154881|3.876740|3.149720|3.123475|6.934088|36.858105| |1.345288|1.314704|1.391823|1.544390|2.270711|0.045488|1.873351|1.795060|1.599934|1.471380|1.928149|2.143983|3.416237|2.811492|4.653478|3.489522|22.437172|4.017800|0.096475|6.012896|8.585388|7.600149|6.982803|4.502247|4.138015|0.136083|3.440778|2.912676|2.828724|5.994694|14.123477|36.858105| |1.299563|1.275143|1.348537|1.485501|2.176861|0.043801|1.773803|1.698240|1.529276|1.411768|1.802537|2.015334|3.141120|2.539342|4.262086|3.006438|19.037331|3.189308|0.078597|4.569234|5.935235|5.102446|5.395037|3.714128|3.412491|0.107188|3.042439|2.579538|2.445675|4.998619|8.211303|13.290890|36.858105| |1.367075|1.337024|1.411558|1.557971|2.275734|0.045584|1.858770|1.790624|1.611253|1.488960|1.906875|2.176702|3.394716|2.708174|4.500446|3.163130|19.584905|3.164941|0.077770|4.317962|5.418762|4.863626|5.477326|3.857491|3.360013|0.100649|3.053498|2.525325|2.387662|4.888116|7.697904|8.244066|14.165558|36.858105| |1.519674|1.470459|1.550906|1.734919|2.534365|0.050114|2.115799|2.061592|1.823988|1.678639|2.249805|2.639813|4.288979|3.431629|5.459586|4.209527|25.381987|4.125595|0.097712|5.305824|6.679119|6.756554|7.824501|5.313777|4.103812|0.117896|3.549632|2.824235|2.733744|5.838281|10.949943|7.446998|7.454982|11.046229|388.023441| |17.756081|8.769839|5.588386|4.927734|5.022847|0.089958|3.354838|4.101629|5.625709|9.045698|3.563554|3.078340|3.422663|2.288485|4.238657|1.945511|13.247878|1.577066|0.042516|2.029515|1.964493|1.448068|2.064375|1.440493|1.309843|0.034926|1.235803|1.167153|1.232121|2.352546|1.379266|1.271075|1.230344|1.293879|10.193718|0.500000| |8.798142|17.722579|9.095989|5.700156|5.715947|0.108500|3.396527|3.680307|4.956506|5.656685|2.989495|2.632926|3.016964|2.107993|4.033715|1.807228|12.005322|1.455523|0.038903|1.910323|1.873007|1.369318|1.914558|1.324553|1.209937|0.032624|1.138152|1.075841|1.129891|2.159327|1.316896|1.227503|1.195178|1.250842|9.702828|0.215607|0.500000| |5.522221|8.950674|17.752585|8.750491|9.236297|0.192656|4.538577|4.288315|5.493505|4.818242|3.224754|2.831490|3.278833|2.381497|4.761049|2.016695|12.965136|1.569795|0.041390|2.090885|2.069708|1.498433|2.062980|1.403025|1.275345|0.034666|1.186297|1.116778|1.173754|2.264516|1.443556|1.349009|1.312031|1.368720|10.586004|0.123175|0.216822|0.500000| |3.553122|3.592628|4.372198|6.290470|12.282856|0.205100|17.604427|8.846855|6.201428|4.281034|6.463946|6.090363|6.971140|5.626465|14.213795|4.012276|22.465852|2.524889|0.063588|3.334424|3.332046|2.404734|3.297139|2.127933|1.848492|0.050164|1.658198|1.520878|1.615932|3.242421|2.266783|2.037319|1.936999|2.047275|16.679615|0.082957|0.083986|0.110136|0.500000| |3.562789|3.600234|4.380173|6.309224|12.316554|0.204671|17.564527|8.887082|6.226406|4.296207|6.488763|4.996699|6.064719|4.943762|11.772245|3.744610|22.498524|2.506037|0.063972|3.361763|3.260030|2.291136|3.154974|2.028493|1.795147|0.048792|1.602473|1.493313|1.608811|3.214850|2.108874|1.911556|1.789029|1.852009|14.967742|0.083165|0.084132|0.110253|0.303532|0.500000| |9.033979|5.588968|4.817742|5.497858|5.839769|0.098144|4.426329|6.562262|8.708655|17.747917|6.152424|4.802223|4.908398|3.104991|5.644581|2.526001|17.289529|1.965689|0.052807|2.480044|2.369786|1.752312|2.542229|1.757494|1.570764|0.041490|1.464461|1.371979|1.464270|2.834001|1.641371|1.485392|1.420807|1.501215|12.127606|0.215801|0.124081|0.105263|0.107274|0.107658|0.500000| |3.531644|3.162955|3.390855|4.445049|6.368073|0.107796|6.801842|9.064543|5.777598|4.641715|17.612113|8.794452|10.382058|6.868246|12.468448|4.756457|31.529988|3.106390|0.080506|3.884266|3.590973|2.584965|3.789371|2.450578|2.123246|0.056124|1.883350|1.745164|1.915775|3.871625|2.297392|2.016144|1.857867|1.943541|16.359047|0.085869|0.074663|0.082205|0.168148|0.196487|0.134060|0.500000| |4.469950|3.649248|3.664915|4.659226|5.895075|0.098474|5.453643|8.991601|6.992173|6.501745|17.604663|8.720442|8.222752|4.775567|8.292475|3.609842|24.992525|2.614483|0.069531|3.221942|3.011918|2.219681|3.288745|2.217467|1.937854|0.050760|1.763751|1.637974|1.779460|3.525159|2.018620|1.785640|1.673743|1.767628|14.729754|0.109277|0.084825|0.085599|0.134196|0.139400|0.216980|0.303739|0.500000| |3.481452|2.995180|3.041252|3.710452|4.935739|0.086196|4.506474|5.948164|4.827199|4.499960|8.773887|17.633257|12.666565|5.801117|9.049569|4.249682|27.588161|2.889738|0.075353|3.440665|3.304376|2.535354|3.821017|2.607434|2.191100|0.056761|2.002625|1.805281|1.927461|3.867942|2.346046|2.028381|1.921760|2.087911|17.952866|0.087974|0.071962|0.073706|0.129806|0.110721|0.140345|0.181588|0.230359|0.500000| |3.513366|3.209797|3.462705|4.461745|6.378893|0.109864|6.301403|7.472795|5.482042|4.458983|8.707369|17.606338|12.565462|7.135278|12.854522|4.661730|26.523294|2.841386|0.071915|3.511832|3.472827|2.631105|3.799528|2.510418|2.108602|0.055774|1.905836|1.713927|1.815896|3.667953|2.473355|2.149884|2.049479|2.231714|19.038388|0.085410|0.076113|0.084589|0.206680|0.142851|0.124689|0.185029|0.179740|0.304237|0.500000| |2.548179|2.304322|2.394163|2.865120|4.057838|0.073950|3.772897|4.268092|3.403050|3.090180|5.998457|8.989214|26.052714|9.360018|10.891975|7.380476|49.479531|4.401792|0.110788|4.846671|4.528744|3.547155|5.697877|3.709357|2.934710|0.074638|2.565149|2.259727|2.464129|5.178690|3.103507|2.558271|2.339576|2.537346|23.210892|0.065390|0.056826|0.060230|0.112309|0.101662|0.092400|0.168428|0.148151|0.232095|0.185727|0.500000| |2.007177|1.908898|2.038150|2.391100|3.562333|0.068214|3.224046|3.167809|2.608051|2.314164|3.715379|4.621899|9.295965|8.977891|11.292032|17.588802|56.360256|6.403521|0.135309|7.318023|7.734610|6.425221|9.461173|5.005991|3.675920|0.097922|2.994362|2.546054|2.729326|6.051125|5.332459|3.966420|3.439153|3.745609|38.378764|0.051527|0.047958|0.053126|0.101245|0.090469|0.065799|0.110224|0.089991|0.113186|0.123739|0.191098|0.500000| |2.020253|1.948142|2.114991|2.507349|3.846880|0.074392|3.550796|3.314441|2.683557|2.325437|3.776599|4.213791|7.836443|9.059941|13.664463|17.666546|55.731277|6.179320|0.130486|8.536281|8.609350|5.733221|7.503759|3.949296|3.209636|0.088551|2.603272|2.317785|2.540008|5.555558|4.542541|3.679186|3.114235|3.181545|28.880622|0.051407|0.048821|0.055498|0.110097|0.105678|0.065091|0.119505|0.089703|0.099139|0.112600|0.146958|0.300954|0.500000| |1.643993|1.583058|1.683439|1.922994|2.855457|0.055996|2.473496|2.389230|2.043960|1.847694|2.689552|2.803388|4.735050|4.170298|6.674006|5.816213|47.892038|9.150011|0.198298|26.021428|13.044323|6.467017|8.374626|4.340675|3.967919|0.114140|3.012751|2.815737|3.274006|7.447051|4.429176|3.805842|3.000119|2.845659|24.228714|0.042707|0.040398|0.044597|0.071984|0.074463|0.052297|0.084846|0.068534|0.070837|0.073165|0.097996|0.140403|0.189050|0.500000| |1.582837|1.482610|1.525534|1.709989|2.424318|0.046729|2.051910|2.126484|1.875183|1.777172|2.483393|2.853407|4.833849|3.500912|5.145352|4.383425|38.560446|6.988204|0.201814|6.518715|6.075721|5.662063|12.563054|17.586903|8.908375|0.174701|6.698628|4.830247|5.235311|13.153982|4.676924|3.633475|3.131675|3.315795|31.836353|0.042024|0.038084|0.039908|0.060261|0.057505|0.051933|0.072105|0.066277|0.079074|0.073497|0.115462|0.136427|0.105513|0.110569|0.500000| |1.481533|1.406284|1.457331|1.624966|2.324253|0.045311|1.947226|1.971639|1.749838|1.646177|2.233713|2.580273|4.276191|3.219466|4.885330|4.043341|30.296209|5.632182|0.144844|6.157068|6.607363|6.967295|12.560833|17.629490|8.918584|0.208420|6.984133|4.595416|4.386325|10.220714|6.750618|4.923600|4.229055|4.601512|47.537308|0.039248|0.036276|0.038463|0.058034|0.054325|0.047452|0.064208|0.058805|0.070647|0.068892|0.097142|0.133902|0.101949|0.103102|0.303370|0.500000| |1.324824|1.248348|1.273418|1.397262|1.960848|0.038191|1.611569|1.663896|1.510620|1.456758|1.881031|2.093501|3.303179|2.386554|3.715227|2.778797|22.702969|3.934652|0.119251|4.463292|4.327156|3.772482|6.325815|7.143049|8.829465|0.174238|17.521454|8.798725|6.790068|12.286304|3.542296|3.088798|2.795994|2.891452|24.399329|0.035604|0.032484|0.033595|0.046825|0.045031|0.042429|0.053851|0.051128|0.058897|0.055048|0.075431|0.083819|0.071177|0.078661|0.207546|0.190198|0.500000| |1.232634|1.174092|1.205305|1.318093|1.863966|0.036625|1.522273|1.544840|1.405884|1.346013|1.714814|1.898745|2.975039|2.209835|3.506854|2.593585|20.142464|3.609080|0.104343|4.402527|4.512460|3.975089|6.028752|6.288087|8.705518|0.218777|17.587380|8.662869|5.697053|10.360181|3.990894|3.651876|3.317751|3.329515|26.547457|0.033040|0.030647|0.032030|0.044482|0.042645|0.038794|0.049154|0.046143|0.052687|0.050787|0.066170|0.078925|0.068443|0.076954|0.151211|0.187371|0.300949|0.500000| |1.166146|1.104364|1.123590|1.220545|1.708337|0.033477|1.385969|1.423926|1.308102|1.268712|1.585490|1.707688|2.626908|1.919837|3.070142|2.190331|17.935980|3.073438|0.095787|3.764871|3.580691|2.899493|4.484436|4.176418|5.728075|0.138395|8.669967|17.592268|8.702934|10.422156|2.718076|2.534370|2.301992|2.279599|17.916210|0.031499|0.028933|0.029803|0.039782|0.039055|0.036820|0.045668|0.043443|0.047786|0.045006|0.058552|0.063650|0.057913|0.068216|0.115203|0.108126|0.217139|0.193928|0.500000| |1.149035|1.096310|1.123951|1.224017|1.729056|0.034060|1.405161|1.423919|1.301530|1.249586|1.574027|1.691043|2.621523|1.962990|3.159853|2.285886|18.442918|3.339078|0.102334|4.282029|4.147982|3.336275|4.939481|4.458856|6.834641|0.191172|8.827230|17.560582|8.791881|11.652548|3.130410|2.996508|2.648682|2.532524|19.523573|0.030874|0.028701|0.029936|0.040510|0.039845|0.035992|0.045679|0.042654|0.046638|0.044875|0.057693|0.066504|0.061673|0.076199|0.112740|0.114916|0.174055|0.218001|0.302061|0.500000| |1.300598|1.222207|1.243310|1.362723|1.907331|0.037100|1.567063|1.625075|1.477230|1.430240|1.845482|1.966055|3.076431|2.239090|3.524397|2.585769|22.951069|3.980024|0.137110|4.635732|4.077135|3.211296|5.290983|4.736984|6.249696|0.139574|6.481512|8.732678|17.569090|16.640023|2.789870|2.510474|2.209228|2.190987|17.935626|0.035038|0.031825|0.032769|0.044625|0.044564|0.041804|0.054007|0.050803|0.054815|0.050743|0.069592|0.072992|0.067596|0.084084|0.140216|0.110047|0.178037|0.133227|0.220949|0.175089|0.500000| |1.227468|1.164898|1.193246|1.306295|1.843959|0.036138|1.510243|1.540494|1.399545|1.343402|1.724098|1.818126|2.840503|2.127723|3.403602|2.490637|21.535948|3.952645|0.133205|5.007463|4.407999|3.353882|5.192814|4.346495|6.204752|0.160009|5.802322|8.685033|17.596370|16.549496|2.898242|2.691540|2.319328|2.226553|17.738796|0.032949|0.030389|0.031646|0.043068|0.043309|0.038882|0.050847|0.046977|0.049902|0.047425|0.062832|0.069852|0.067164|0.090221|0.116460|0.102166|0.137616|0.128470|0.189473|0.222780|0.301284|0.500000| 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