Version2.4 2021-05-26T06:54:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 22-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCn1c(=O)c2ccc(cc2nc1SCC(=O)Nc3cc(c(cc3Cl)C(=O)[O-])OC)Cl C13243974 RHF 6-31G(d) (6D,7F) CCCn1c(=O)c2ccc(cc2nc1SCC(=O)Nc3cc(c(cc3Cl)C(=O)[O-])OC)Cl C01[X(C21H18Cl2N3O5S1)] 144 C1 528 CCCn1c(SCC(=O)Nc2cc(OC)c(cc2Cl)C(=O)[O-])nc2c(c1=O)ccc(c2)Cl CCCn1c(SCC(=O)Nc2cc(OC)c(cc2Cl)C(=O)[O-])nc2c(c1=O)ccc(c2)Cl CCCN1C(=O)c2ccc(Cl)cc2N=C1SCC(=O)Nc3cc(OC)c(cc3Cl)C([O-])=O InChIKey=CEAMHIAPWFWVCZ-UHFFFAOYSA-M InChI=1S/C21H19Cl2N3O5S/c1-3-6-26-19(28)12-5-4-11(22)7-15(12)25-21(26)32-10-18(27)24-16-9-17(31-2)13(20(29)30)8-14(16)23/h4-5,7-9H,3,6,10H2,1-2H3,(H,24,27)(H,29,30)/p-1 InChI=1/C21H19Cl2N3O5S/c1-3-6-26-19(28)12-5-4-11(22)7-15(12)25-21(26)32-10-18(27)24-16-9-17(31-2)13(20(29)30)8-14(16)23/h4-5,7-9H,3,6,10H2,1-2H3,(H,24,27)(H,29,30)/p-1/fC21H18Cl2N3O5S/h24H/q-1 CCCn1c(=O)c2ccc(cc2nc1SCC(=O)Nc3cc(c(cc3Cl)C(=O)[O-])OC)Cl C01[X(C21H18Cl2N3O5S1)] 144 C01 528 CCCn1c(SCC(=O)Nc2cc(OC)c(cc2Cl)C(=O)[O-])nc2c(c1=O)ccc(c2)Cl CCCN1[C]([N][C]2[C]([CH][CH][C]([CH]2)Cl)C1=O)SCC(=O)N[C]1[CH][C]([C]([CH][C]1Cl)[C]([O])=O)OC CCCN1[C]([N][C]2[CH][C](Cl)[CH][CH][C]2C1=O)SCC(=O)N[C]3[CH][C](OC)[C]([CH][C]3Cl)C([O])=O InChIKey=DYPCERIFFSZPAV-UHFFFAOYSA-N InChI=1S/C21H18Cl2N3O5S/c1-3-6-26-19(28)12-5-4-11(22)7-15(12)25-21(26)32-10-18(27)24-16-9-17(31-2)13(20(29)30)8-14(16)23/h4-5,7-9H,3,6,10H2,1-2H3,(H,24,27) InChI=1/C21H18Cl2N3O5S/c1-3-6-26-19(28)12-5-4-11(22)7-15(12)25-21(26)32-10-18(27)24-16-9-17(31-2)13(20(29)30)8-14(16)23/h4-5,7-9H,3,6,10H2,1-2H3,(H,24,27)/f/h24H 3458.8036814412 -2659.9301592 1-A 28210.8138 128 400 528 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.79291 -104.73876 -91.92121 -20.49972 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319.7994 324.9220 329.7156 346.5235 360.1542 369.9922 393.7763 404.1464 435.7105 441.8135 461.6031 481.0492 488.5337 504.5945 515.1806 590.5729 597.7508 630.9946 641.4569 655.4683 663.7733 665.5912 681.6213 712.9351 720.8256 745.3444 753.8693 773.7854 775.8355 782.5815 796.3186 808.6000 829.8282 880.0262 886.7221 903.6561 915.9935 926.9793 937.5587 965.6076 972.7004 987.6450 1007.4628 1014.2128 1023.1333 1059.3876 1066.1814 1090.5245 1109.6721 1110.5291 1127.2284 1181.5796 1187.9805 1210.9013 1223.4919 1225.6372 1234.6932 1251.7574 1284.2318 1292.8563 1294.5167 1295.4456 1319.3682 1329.0174 1361.0117 1368.4427 1377.0150 1400.3875 1413.7786 1423.5002 1437.0822 1456.3586 1466.8629 1483.4935 1492.1161 1518.2838 1547.7704 1562.2571 1569.6953 1583.0958 1602.0058 1634.8887 1639.4828 1641.5265 1644.8256 1650.1486 1652.1098 1654.4231 1660.8496 1663.1930 1705.0630 1753.0540 1782.4997 1784.6087 1801.9637 1807.0318 1935.1574 1938.2445 1952.5787 3189.1954 3200.7000 3226.6177 3243.3353 3250.6420 3270.8585 3275.0105 3276.9980 3296.2800 3310.1069 3331.3434 3348.4744 3400.5861 3416.9469 3419.7594 3429.4468 3488.9758 3873.4232 7.4054 8.7452 9.3996 8.6333 5.5986 15.2201 5.5320 3.4403 4.7262 8.6808 4.4342 2.6703 5.1384 3.9132 4.0030 6.7741 7.3486 5.5434 10.3980 8.5273 5.6366 2.2109 1.7339 1.9038 6.4821 5.1343 7.7053 2.3773 5.6186 5.2704 5.5301 8.2165 6.7882 5.9546 8.7533 7.5296 3.5785 7.6793 6.6679 7.0877 3.3416 3.2944 8.2349 1.7213 6.9593 7.2194 1.8432 3.5456 5.9416 9.2621 5.8906 7.0520 8.4294 8.9363 5.7340 4.6440 5.2812 5.7511 1.1701 5.3565 3.4862 7.8043 6.8596 6.8108 2.1887 1.7329 1.6147 1.4791 2.5213 1.4991 4.3950 1.9381 5.3835 1.4871 4.1310 3.4568 1.3358 4.0846 2.5693 7.0658 2.1341 3.8911 2.1103 2.2556 5.9677 1.9298 1.3472 2.0787 1.1193 4.5972 1.5188 2.2524 1.8913 2.2512 1.4354 1.7319 5.1284 2.0631 1.8038 1.3409 2.3528 4.7718 1.8345 5.9735 1.2767 1.4006 5.2317 1.0939 1.3528 1.0582 2.3321 1.0880 1.0937 1.7091 1.1334 1.0943 1.1565 3.3585 8.5502 6.9987 7.5781 3.2209 5.5246 12.4363 11.8648 8.5928 1.0365 1.0367 1.0625 1.1054 1.1035 1.1017 1.1045 1.0595 1.0631 1.0995 1.1074 1.1064 1.0900 1.0967 1.0944 1.0918 1.0901 1.0777 0.0001 0.0010 0.0029 0.0045 0.0047 0.0148 0.0083 0.0060 0.0096 0.0263 0.0203 0.0159 0.0342 0.0315 0.0341 0.0776 0.1153 0.0935 0.1865 0.1663 0.1576 0.0781 0.0667 0.0741 0.2866 0.2440 0.3798 0.1432 0.3495 0.3376 0.3912 0.6279 0.5475 0.5440 0.8424 0.8422 0.4116 0.9641 0.9091 0.9966 0.5013 0.5152 1.6922 0.3624 1.6325 1.7502 0.4666 0.9204 1.5509 2.5354 1.7641 2.1588 2.7591 2.9923 2.0228 1.6470 1.9056 2.1487 0.4507 2.1733 1.5907 3.6154 3.3003 3.3669 1.1081 0.8975 0.8871 0.8245 1.4491 0.8965 2.6636 1.1954 3.5598 0.9960 2.8945 2.5079 0.9706 3.0579 2.1135 5.8753 1.8437 3.4318 1.8677 2.0259 5.5093 1.8752 1.3267 2.0524 1.1067 4.7150 1.5806 2.4582 2.0868 2.5150 1.6585 2.0395 6.1228 2.5103 2.2541 1.7000 3.0508 6.2594 2.4916 8.4312 1.8358 2.0333 7.7251 1.6540 2.1303 1.6759 3.7025 1.7343 1.7546 2.7486 1.8277 1.7785 1.8848 5.7527 15.4817 13.1016 14.2199 6.1619 10.6288 27.4394 26.2621 19.3021 6.2110 6.2573 6.5176 6.8511 6.8698 6.9444 6.9798 6.7038 6.8059 7.0976 7.2407 7.3089 7.4268 7.5445 7.5405 7.5659 7.8185 9.5264 0.5237 2.6495 2.5529 11.7180 1.5720 0.1995 0.6218 0.7172 1.4885 1.2320 3.9978 0.6079 1.3834 2.7094 2.0588 2.0323 9.5018 4.6754 4.3922 6.1196 5.1760 0.3092 0.1129 0.5540 0.0667 0.7709 3.0792 1.2024 1.0319 5.9578 5.2347 11.7446 6.1259 4.9088 12.9254 1.0666 2.6144 10.0577 9.4146 16.3306 2.3442 2.7443 4.2506 61.0935 6.2671 31.3886 16.9551 1.4392 0.3387 16.2646 0.1136 21.8613 17.8631 7.8737 11.3453 10.8347 37.8864 18.1806 10.2163 42.8524 52.6307 98.4877 24.3196 36.7059 12.2665 7.2546 5.2737 40.1773 36.8176 27.7791 68.6933 9.4440 28.9479 23.4147 28.9866 3.3764 0.1387 0.7704 31.7202 23.6537 36.6606 56.6946 32.2722 81.4259 14.7160 104.1700 17.3765 89.3477 2.2475 27.8464 46.5857 152.0528 165.0199 37.8706 95.4640 2.8718 179.4019 26.5799 46.9482 3.5008 99.4645 805.9281 119.7971 161.0984 9.8411 7.6299 49.4009 33.6470 56.3311 2.7416 185.6158 4.1489 15.4600 111.8779 13.7356 25.4467 3.5437 362.3050 478.1271 408.1273 196.2171 415.8549 372.3445 579.2869 547.8405 289.9396 61.1955 41.5467 12.8249 71.1985 6.8459 45.2684 46.0834 12.6593 27.5945 64.8712 0.4774 15.9222 0.2830 4.3743 0.1084 2.0243 2.8872 50.2905 0.6377 0.2340 0.3528 1.2749 1.3799 0.7458 0.7378 0.1358 2.5929 1.0506 0.5951 1.5641 0.3716 0.3979 0.1182 1.4177 0.9412 0.1410 0.7662 0.9304 0.9558 0.7819 1.1739 0.9777 0.3770 5.0432 1.9297 1.5903 2.1246 2.2503 1.7231 5.8786 2.6380 1.4537 1.3430 1.1353 1.5988 1.2637 0.5135 3.3599 0.1190 0.5729 5.2484 2.4757 2.9320 5.1582 1.4815 2.0055 0.2602 1.5142 2.0810 4.4599 3.0536 1.5525 3.5963 2.5241 1.9088 18.4565 0.9771 3.9321 0.2926 33.0723 7.8243 6.8616 1.7407 1.6507 8.8128 3.0856 3.9991 0.9293 19.4720 1.3197 7.0903 2.1128 2.2748 5.3434 0.5071 8.1109 11.7346 3.0341 5.9272 4.3453 4.9051 1.9388 2.2756 5.7622 6.3087 26.7777 8.8894 19.1398 2.8638 25.9420 6.0836 1.5608 7.2475 3.9331 26.6963 116.3553 71.5316 12.7871 4.7231 16.9915 34.6050 25.5564 1.9120 3.8810 6.0064 7.5136 11.0637 29.1809 43.3145 17.6750 8.6285 8.8490 21.0834 13.8869 11.1406 18.9028 223.1136 99.9411 167.9681 23.8405 97.1147 3.7755 28.5322 47.0995 101.0935 101.9145 71.2321 43.8513 101.2885 96.3208 15.7955 53.2777 70.5196 153.7650 23.4272 31.1565 54.3491 120.5199 81.6129 63.9630 39.0722 50.3466 0.7500 0.7478 0.7110 0.7471 0.7456 0.7498 0.7357 0.6841 0.7498 0.5599 0.7193 0.7450 0.7419 0.6011 0.7354 0.2286 0.7489 0.4203 0.6868 0.6128 0.6815 0.4705 0.7284 0.1409 0.7431 0.3579 0.5033 0.4549 0.6917 0.3089 0.3658 0.1397 0.2789 0.2559 0.2464 0.7437 0.7303 0.6782 0.4689 0.6543 0.6902 0.7053 0.1282 0.7450 0.1448 0.5374 0.5621 0.5730 0.6416 0.6012 0.1741 0.5411 0.7393 0.3974 0.2049 0.4048 0.3120 0.1208 0.6961 0.7341 0.6715 0.1738 0.3548 0.3629 0.7269 0.7247 0.4103 0.7497 0.2108 0.7494 0.2526 0.7472 0.2161 0.7176 0.3403 0.7004 0.7494 0.5641 0.2532 0.5864 0.7431 0.3069 0.1629 0.4378 0.6450 0.3777 0.4990 0.3447 0.7183 0.5319 0.5143 0.2375 0.6223 0.5479 0.6394 0.3812 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0.5520 0.2469 0.3827 0.2427 0.2491 0.8568 0.3391 0.8549 0.5281 0.7876 0.8088 0.8363 0.5583 0.6826 0.8274 0.4231 0.7526 0.4519 0.8207 0.8542 0.6852 0.8114 0.2761 0.4983 0.8124 0.4678 0.3265 0.7128 0.8266 0.2322 0.3821 0.0524 0.0109 0.2981 0.8338 0.8505 0.7026 0.5240 0.0584 0.1772 0.6364 0.8566 0.7954 0.7699 0.3407 0.3795 0.4050 0.3120 0.2546 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 6 6 6 7 6 8 6 6 6 6 6 6 7 6 16 6 6 8 7 6 6 6 6 6 6 17 6 8 8 8 6 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 12.00000 15.99491 15.99491 15.99491 12.00000 34.96885 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 10248.9959 43018.3138 52859.2588 0.99998 -0.00599 -0.00125 0.00599 0.99996 0.00610 0.00122 -0.00611 0.99998 1 0.00845 0.00201 0.00164 0.17609 0.04195 0.03414 8.06 19.84 33.01 42.95 54.10 58.51 72.74 78.56 84.29 103.25 126.82 144.64 153.01 168.08 172.96 200.56 234.82 243.40 251.03 261.80 313.41 352.21 367.69 369.84 394.12 408.66 416.16 460.12 467.49 474.39 498.57 518.18 532.34 566.56 581.48 626.89 635.67 664.14 692.12 702.89 726.00 741.23 849.70 860.03 907.86 922.91 943.07 955.02 957.64 980.70 1025.75 1037.11 1072.38 1084.65 1113.30 1116.25 1125.96 1145.72 1163.40 1193.94 1266.16 1275.80 1300.16 1317.91 1333.72 1348.94 1389.29 1399.50 1421.00 1449.51 1459.23 1472.06 1524.22 1534.00 1569.02 1596.57 1597.80 1621.83 1700.03 1709.24 1742.22 1760.33 1763.42 1776.45 1801.00 1847.72 1860.13 1862.52 1863.86 1898.28 1912.16 1958.19 1968.88 1981.22 2014.85 2034.11 2048.10 2067.64 2095.38 2110.49 2134.42 2146.82 2184.47 2226.90 2247.74 2258.44 2277.72 2304.93 2352.24 2358.85 2361.79 2366.54 2374.20 2377.02 2380.35 2389.59 2392.96 2453.21 2522.25 2564.62 2567.65 2592.62 2599.92 2784.26 2788.70 2809.33 4588.54 4605.09 4642.38 4666.44 4676.95 4706.04 4712.01 4714.87 4742.61 4762.51 4793.06 4817.71 4892.68 4916.22 4920.27 4934.21 5019.86 5572.99 0.395270 0.424263 0.425207 0.328584 -2659.534889 -2659.505896 -2659.504952 -2659.601576 3.240785D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE CCCn1c(=O)c2ccc(cc2nc1SCC(=O)Nc3cc(c(cc3Cl)C(=O)[O-])OC)Cl C13243974 RHF 6-31G(d) (6D,10F) C1 494.034423 |X|Y|Z| 74.306330 16.829332 149.684517 57.203577 20 6 7 16 16 3 1 |36.858105| |12.466272|36.858105| |7.551079|12.477548|36.858105| |4.953363|7.618342|12.921104|53.358707| |4.168588|5.881991|7.836168|18.634322|36.858105| |4.351332|5.803981|7.124046|11.479677|15.863788|73.516695| |3.207898|4.217337|5.077140|10.772514|13.027521|14.385338|36.858105| |2.742118|3.411959|3.877089|7.005963|7.668502|11.875770|13.629052|36.858105| |2.318348|2.801317|3.107474|5.395133|5.094472|8.027248|7.938707|13.903739|36.858105| |2.219273|2.682261|2.980536|5.240772|4.528883|6.793095|6.942066|7.997479|13.610610|36.858105| |2.432023|3.003556|3.404809|6.292321|5.092742|7.120236|7.911002|6.835172|7.857869|13.918635|36.858105| |2.950524|3.822256|4.542962|9.536336|7.765853|9.488513|13.732868|7.874094|6.818823|7.983317|13.586522|36.858105| |3.221109|4.233977|5.154271|11.037909|6.750673|8.421094|7.883301|5.162551|4.567870|5.240709|7.967845|13.835763|53.358707| |4.041563|5.648311|7.597691|18.815629|7.905150|9.663749|6.999066|4.625333|3.870109|4.082652|5.368296|8.353650|20.356961|36.858105| |4.144456|5.271739|6.395322|9.681046|4.763971|6.865510|4.240985|3.234785|2.860724|3.039667|3.791061|4.850962|9.822787|10.758294|388.023441| |3.003316|3.603008|4.055028|6.418424|3.707049|5.428502|3.699491|2.945924|2.760078|3.095450|3.974432|4.608264|9.320179|6.959732|74.803160|36.858105| |2.748374|3.110153|3.357743|4.887857|2.923291|4.482886|2.865751|2.386856|2.260684|2.491354|3.033643|3.365494|6.023711|4.631969|49.938146|12.478275|36.858105| |2.957605|3.239584|3.443912|4.730527|2.800124|4.382348|2.655548|2.227291|2.082302|2.241843|2.665330|2.997685|5.208572|4.242303|48.257149|8.002699|15.881088|73.516695| |2.310558|2.580689|2.750148|4.045068|2.532464|3.927766|2.558577|2.188485|2.124905|2.376489|2.860679|3.022213|5.152218|3.718897|34.309606|7.986152|14.135515|14.864410|53.358707| |2.048169|2.224447|2.330242|3.340231|2.137690|3.388773|2.149993|1.882905|1.840208|2.034474|2.375907|2.470044|4.021494|2.928610|25.983593|5.046512|7.612119|11.382090|18.323765|36.858105| |2.052425|2.175053|2.250956|3.129350|1.997427|3.212158|1.969130|1.733147|1.677754|1.821735|2.094813|2.206809|3.550501|2.667274|24.084671|4.207749|6.272690|11.502128|10.521003|13.697206|36.858105| |1.809363|1.890252|1.940346|2.680342|1.743160|2.838419|1.723638|1.541294|1.501674|1.621835|1.833415|1.907526|2.990661|2.232566|19.329897|3.227157|4.305199|7.900499|6.949180|7.877318|13.693321|36.858105| |1.628523|1.710952|1.759040|2.460816|1.625308|2.649409|1.629727|1.472485|1.451359|1.577169|1.771132|1.809738|2.795588|2.045869|17.095200|2.888926|3.640530|6.325851|6.109964|6.732805|7.823836|13.572232|36.858105| |1.631981|1.740951|1.802058|2.567891|1.702945|2.752910|1.732346|1.564415|1.555673|1.712598|1.936179|1.952155|3.019497|2.165069|17.822740|3.141047|3.888648|6.357756|7.031165|7.919728|6.935205|8.035210|13.804880|36.858105| |1.801380|1.953131|2.040175|2.950902|1.935676|3.086997|1.980381|1.764923|1.752997|1.952103|2.250471|2.274558|3.594607|2.550919|21.303717|4.012980|5.140770|7.816057|10.756119|13.774683|8.006704|6.916084|7.867882|13.764257|36.858105| |1.726696|1.903384|2.003440|2.979150|1.991289|3.150763|2.096146|1.882614|1.908027|2.174964|2.519405|2.458207|3.823314|2.599163|20.507952|3.955120|4.438398|6.455953|8.694868|6.943843|4.734990|4.213351|4.733286|7.010586|10.777727|448.794386| |1.448241|1.506470|1.541338|2.143996|1.434230|2.361370|1.438553|1.315510|1.301356|1.404716|1.554705|1.578748|2.394862|1.752089|14.302014|2.335892|2.805920|4.941200|4.470652|4.341648|4.869868|7.191939|12.185388|7.592804|4.993567|29.401502|36.858105| |1.365914|1.426992|1.455824|2.039011|1.375795|2.266727|1.390661|1.279827|1.274805|1.380229|1.519955|1.527895|2.296981|1.663959|13.343962|2.186021|2.559107|4.425271|4.094754|3.837779|4.009402|5.255959|8.144036|6.969629|4.637604|29.525445|15.465987|73.516695| |1.418823|1.461040|1.495576|2.059804|1.377779|2.281223|1.372066|1.256677|1.237794|1.326432|1.461563|1.492959|2.258334|1.667517|13.639893|2.175698|2.601519|4.691839|4.004803|3.752575|4.387332|6.380472|8.038557|5.398393|4.029235|24.604104|15.583284|15.176141|73.516695| |1.768083|1.813144|1.844270|2.502485|1.632020|2.686303|1.596509|1.434932|1.390852|1.485114|1.662004|1.739714|2.700791|2.044009|17.626718|2.793450|3.596431|6.938434|5.353665|5.222010|8.006741|14.183382|8.098038|5.306960|4.649928|26.082252|6.434901|8.298706|12.091490|73.516695| |1.931301|1.951758|1.976628|2.631648|1.699268|2.808662|1.637463|1.464091|1.404482|1.486660|1.664222|1.767660|2.757559|2.129806|18.757686|2.854146|3.686386|7.592634|5.110696|4.577959|6.875843|8.020695|5.231256|4.014065|3.838692|22.813517|4.386103|6.191834|8.349681|24.366274|36.858105| |1.850885|2.165752|2.350109|3.900134|3.202557|5.054419|4.246412|4.791294|7.041245|10.935368|7.080785|4.770853|5.105484|3.058695|17.583523|2.614828|2.191325|3.503788|2.937223|1.889753|1.687093|1.524228|1.506077|1.647466|1.858253|16.981205|1.355139|2.391183|2.267255|2.477727|1.379463|448.794386| |17.561712|8.800174|5.492985|5.570772|3.595332|6.684266|2.882847|2.520453|2.163738|2.074237|2.251574|2.673845|3.926359|3.488785|25.539549|2.737046|2.547977|4.867343|2.961314|1.952126|1.965899|1.748555|1.577976|1.576338|1.727766|13.276147|1.410940|2.373193|2.456875|3.054701|1.875209|14.076273|0.500000| |17.540969|8.767142|6.826586|6.225157|3.722310|6.666267|2.951845|2.515197|2.162330|2.103452|2.326866|2.798198|4.265224|3.948536|31.286160|3.139972|2.952226|5.823592|3.329624|2.177156|2.213281|1.941881|1.726688|1.715507|1.891669|14.328600|1.529669|2.545374|2.676690|3.395856|2.117344|14.227180|0.301968|0.500000| |17.537147|8.770572|6.851763|6.239992|4.087965|8.024492|3.121708|2.727945|2.291529|2.158767|2.326859|2.801629|4.048141|3.650103|25.576207|2.687761|2.458564|4.656603|2.857614|1.875175|1.876325|1.670054|1.514134|1.518109|1.666246|12.903690|1.356813|2.279515|2.371170|2.908003|1.779046|14.482999|0.301798|0.301125|0.500000| |8.851120|17.556295|8.862389|9.459491|5.200993|8.509216|4.036815|3.241396|2.732564|2.687477|3.069372|3.874227|6.102659|5.981781|43.091489|4.081074|3.517044|6.526853|3.908519|2.448663|2.388748|2.052668|1.846706|1.881756|2.127084|16.542565|1.611607|2.711880|2.763491|3.481765|2.108921|17.554269|0.212548|0.210877|0.172862|0.500000| |8.843156|17.567092|8.913565|9.512405|6.365179|12.065428|4.506165|3.738153|3.007585|2.805812|3.070002|3.884209|5.516244|5.076603|30.960896|3.213238|2.759750|4.998251|3.201620|2.041928|1.981175|1.740129|1.594110|1.630717|1.821677|14.458927|1.413806|2.398082|2.432176|2.963302|1.775205|18.042493|0.212377|0.172769|0.210691|0.302548|0.500000| |6.873765|8.856855|17.677004|12.608723|7.647823|14.665434|4.870043|3.908146|3.086836|2.875597|3.177155|4.126424|5.945640|5.796094|34.452121|3.391075|2.878933|5.239141|3.297785|2.090253|2.027543|1.773206|1.619604|1.655733|1.855206|14.696459|1.433964|2.413237|2.485030|3.014834|1.813381|18.296286|0.140711|0.168197|0.204275|0.173969|0.214498|0.500000| |6.895096|8.802587|17.651874|12.431616|5.817834|9.285876|4.276417|3.341476|2.784015|2.739796|3.163940|4.095281|6.660864|7.219065|54.108190|4.444734|3.762665|7.078879|4.075744|2.527791|2.467473|2.104943|1.884043|1.917112|2.176323|16.858793|1.639798|2.730080|2.839760|3.563236|2.172923|17.738203|0.140579|0.204158|0.170404|0.210154|0.173910|0.304071|0.500000| |2.778782|3.392327|3.790224|6.406657|7.115361|13.226209|8.930891|17.752314|8.937269|5.656684|4.935350|5.635955|5.703280|4.007396|20.857800|2.617346|2.172612|3.664118|2.707267|1.732980|1.614447|1.445351|1.378359|1.452909|1.623855|13.747241|1.239165|2.141397|2.114566|2.411939|1.390744|31.618593|0.071150|0.069858|0.078435|0.087173|0.105767|0.110453|0.089577|0.500000| |2.105540|2.483952|2.705310|4.487225|4.126605|6.903252|5.633052|8.923117|17.759923|8.871459|5.626528|4.927370|4.945775|3.186764|17.540433|2.391121|2.007338|3.313521|2.592872|1.674231|1.535888|1.387820|1.347687|1.440654|1.607572|14.032381|1.218215|2.128428|2.064156|2.295771|1.301883|54.006077|0.055102|0.054570|0.058312|0.067045|0.074354|0.075682|0.067860|0.213272|0.500000| |2.269957|2.756341|3.085197|5.487224|4.146992|5.959244|5.642808|4.936463|5.600612|8.916248|17.770517|8.891375|9.957654|4.918863|26.727743|4.280973|3.259499|4.959094|4.302294|2.599669|2.243945|1.957039|1.906519|2.115903|2.491384|23.089493|1.662800|2.900675|2.757391|3.116034|1.736825|53.678211|0.058732|0.061196|0.059881|0.079679|0.076867|0.079138|0.081894|0.107296|0.123745|0.500000| |2.885076|3.514224|3.790692|6.162375|3.695625|5.388739|3.816993|3.054643|2.903252|3.318801|4.335083|4.898495|9.774302|6.594955|56.425936|17.631977|8.821663|10.969104|9.718601|4.722887|3.872062|3.046873|2.791190|3.083978|3.938957|32.708610|2.274270|3.844365|3.725290|4.682581|2.649609|22.538980|0.074436|0.081877|0.071521|0.112634|0.089479|0.088427|0.109859|0.074562|0.069565|0.132872|0.500000| |2.734226|3.246366|3.781259|6.146310|3.679771|5.363765|3.803043|3.044951|2.896204|3.313097|4.328859|4.884099|9.748133|6.577085|56.429082|17.631929|8.824391|10.985409|9.700136|4.720951|3.866092|3.045936|2.793398|3.084658|3.940511|32.741233|2.280460|3.811227|3.780837|4.672604|2.648425|22.522058|0.068896|0.078840|0.069609|0.098104|0.081877|0.090749|0.114271|0.074322|0.069412|0.132934|0.303150|0.500000| |2.207035|2.498017|2.678212|4.052498|2.581484|3.970115|2.678441|2.297456|2.263829|2.584615|3.153079|3.243820|5.505767|3.775948|32.361040|7.885385|9.540361|10.870019|26.071751|9.367707|5.759652|4.279215|4.040627|4.899824|7.597349|63.090113|3.060302|5.129914|4.831569|5.987998|3.172932|19.003690|0.057766|0.063937|0.056091|0.076713|0.064181|0.065924|0.079488|0.057368|0.056170|0.099691|0.216119|0.215360|0.500000| |2.267106|2.383267|2.460000|3.357938|2.109452|3.396637|2.044449|1.784527|1.706984|1.836750|2.115880|2.271460|3.692716|2.850272|26.853850|4.473320|6.962771|15.085023|9.693742|9.008218|17.875566|8.882859|5.597140|4.996840|5.706093|31.483566|3.978641|5.936722|6.705371|12.818626|7.749914|13.471596|0.060095|0.068938|0.057101|0.073115|0.059454|0.061068|0.076081|0.046350|0.043287|0.062176|0.111045|0.110638|0.145104|0.500000| |1.506521|1.606452|1.660648|2.375395|1.594747|2.587984|1.634568|1.490945|1.494738|1.648112|1.845532|1.837059|2.797526|1.987019|15.950224|2.769996|3.271894|5.342410|5.703634|5.642246|4.989321|5.710392|9.075074|17.777386|8.915091|53.776229|7.285525|14.298749|9.042187|7.620326|3.348615|12.906104|0.040535|0.043702|0.039137|0.047964|0.042134|0.042668|0.048670|0.038498|0.038662|0.056156|0.076603|0.076567|0.115779|0.108356|0.500000| 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