Version2.1 2020-12-16T16:54:11Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 02-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1cc[nH+]c(c1)N2CCN(CC2)c3c4c5c(sc4nc(n3)CSc6ccc(cc6)Cl)CCC5 C03306437 RHF 6-31G(d) (6D,7F) c1cc[nH+]c(c1)N2CCN(CC2)c3c4c5c(sc4nc(n3)CSc6ccc(cc6)Cl)CCC5 C01[X(C25H25Cl1N5S2)] 168 C1 557 Clc1ccc(cc1)SCc1nc2sc3c(c2c(n1)N1CCN(CC1)c1cccc[nH+]1)CCC3 Clc1ccc(cc1)SCc1nc2sc3c(c2c(n1)N1CCN(CC1)c1cccc[nH+]1)CCC3 Clc1ccc(SCc2nc3sc4CCCc4c3c(n2)N5CCN(CC5)c6cccc[nH+]6)cc1 InChIKey=XYPDQALVHQNCOZ-UHFFFAOYSA-O InChI=1S/C25H24ClN5S2/c26-17-7-9-18(10-8-17)32-16-21-28-24(23-19-4-3-5-20(19)33-25(23)29-21)31-14-12-30(13-15-31)22-6-1-2-11-27-22/h1-2,6-11H,3-5,12-16H2/p+1 InChI=1/C25H24ClN5S2/c26-17-7-9-18(10-8-17)32-16-21-28-24(23-19-4-3-5-20(19)33-25(23)29-21)31-14-12-30(13-15-31)22-6-1-2-11-27-22/h1-2,6-11H,3-5,12-16H2/p+1/fC25H25ClN5S2/h27H/q+1 c1cc[nH+]c(c1)N2CCN(CC2)c3c4c5c(sc4nc(n3)CSc6ccc(cc6)Cl)CCC5 C01[X(C25H25Cl1N5S2)] 168 C01 557 Clc1ccc(cc1)SCc1nc2sc3c(c2c(n1)N1CCN(CC1)c1cccc[nH+]1)CCC3 Cl[C]1[CH][CH][C]([CH][CH]1)SC[C]1[N][C]([C]2[C]([N]1)SC1=[C]2CCC1)[N@@]1CC[N@@]([C]2[CH]=[CH][CH]=CN2)CC1 Cl[C]1[CH][CH][C]([CH][CH]1)SC[C]2[N][C]3SC4=C(CCC4)[C]3[C]([N]2)N5CCN(CC5)[C]6NC=CC=C6 InChIKey=OVJXHBSAIGWPBQ-UHFFFAOYSA-N InChI=1S/C25H25ClN5S2/c26-17-7-9-18(10-8-17)32-16-21-28-24(23-19-4-3-5-20(19)33-25(23)29-21)31-14-12-30(13-15-31)22-6-1-2-11-27-22/h1-2,6-11,27H,3-5,12-16H2 InChI=1/C25H25ClN5S2/c26-17-7-9-18(10-8-17)32-16-21-28-24(23-19-4-3-5-20(19)33-25(23)29-21)31-14-12-30(13-15-31)22-6-1-2-11-27-22/h1-2,6-11,27H,3-5,12-16H2 3594.3615427845 -2487.8264431 1-A 28047.0136 129 428 557 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.87292 -92.04715 -92.00379 -15.81665 -15.76502 -15.68477 -15.64721 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134.1076 143.4089 154.1138 159.1256 190.9269 209.1775 218.2393 234.4857 243.6195 255.6685 270.6097 282.5368 313.9642 327.6052 353.4302 370.9045 379.6615 391.8207 406.3126 418.0795 436.3112 455.7484 460.5571 479.1946 491.2318 498.8346 513.7544 559.2174 564.1192 569.7457 597.3389 624.2735 645.7893 661.9046 677.1390 692.5782 694.4211 708.1203 721.7244 747.2800 762.5565 779.2260 785.8430 790.1231 818.8412 823.2363 862.6332 866.6232 892.2121 913.4096 918.0824 928.8084 943.8026 946.9019 950.4317 952.7773 974.6766 985.1204 996.3969 1014.3227 1020.8946 1060.0464 1074.7031 1084.7162 1089.8353 1091.8194 1104.2405 1106.7796 1111.3843 1116.9451 1121.8708 1155.3229 1161.4554 1164.2448 1175.7055 1191.1954 1195.7575 1197.8871 1207.3067 1218.1661 1236.4034 1247.1749 1259.4229 1266.6090 1272.6252 1280.9706 1296.0382 1303.0558 1303.9029 1328.0295 1341.7500 1351.7755 1353.3621 1362.1342 1385.0105 1401.4048 1409.3096 1423.4478 1435.5162 1441.7952 1445.0842 1469.3745 1474.1393 1481.1947 1505.1957 1511.6631 1534.4751 1542.3972 1543.2811 1562.2034 1569.4754 1582.5945 1593.2755 1601.7954 1623.6608 1630.2658 1631.4705 1634.4346 1639.9751 1643.6733 1650.5672 1657.7356 1659.1062 1662.1594 1723.1985 1726.7412 1755.0159 1780.2247 1785.5681 1787.1756 1812.5127 1849.8484 3176.2355 3180.0101 3214.5669 3217.9465 3226.9719 3235.7398 3244.5973 3250.0394 3264.2177 3265.2010 3288.1560 3294.0429 3325.6711 3329.6885 3346.9882 3370.6662 3385.9442 3388.9580 3403.5663 3406.0294 3408.1334 3429.0458 3444.8923 3471.1494 3879.4222 9.3050 5.8452 5.1335 5.6026 4.5349 5.0867 6.0598 6.8497 3.4120 4.4296 5.3444 3.0906 6.5075 3.9367 2.3000 4.3297 4.2453 4.5743 10.7362 4.5582 5.4192 2.5525 3.0296 4.6798 2.8607 7.2666 7.3282 4.9376 5.4554 5.3312 2.9580 3.9806 3.6570 2.9466 4.5169 6.3129 3.6704 2.9171 2.5220 3.4894 6.8814 7.9228 4.5103 5.8549 4.7340 5.6548 7.1349 4.2245 2.8092 4.4499 1.3355 3.0787 5.3122 4.0028 3.8531 7.1465 2.6358 1.7027 4.4556 3.4458 2.4690 5.5357 1.6445 1.5954 1.4834 1.9578 1.9887 2.4732 4.3584 1.6180 2.3314 2.9297 2.3398 4.1808 3.2095 2.1388 1.3695 1.3330 1.3589 4.2090 2.4454 4.3478 1.3718 2.1516 1.7602 1.7655 2.1409 7.5389 2.6434 2.3315 2.1908 2.3555 2.3730 3.2901 2.0009 3.3074 1.6192 1.9455 1.2517 1.1518 2.4760 1.5929 1.2272 1.1370 1.3993 1.7054 1.4439 2.0949 1.5071 1.6346 1.2762 1.7199 1.5798 1.7981 1.6588 2.9758 1.3097 1.3609 1.4393 2.4353 3.6421 1.3824 1.7046 2.2545 3.0670 1.7336 1.2501 1.2313 1.1522 1.1141 1.1037 1.1383 2.1202 1.1252 1.1149 6.3541 5.1684 6.5249 9.8769 9.7185 5.3687 2.4411 5.1106 1.0747 1.0718 1.0674 1.0723 1.0628 1.0752 1.0725 1.0833 1.0637 1.0954 1.1073 1.1043 1.0964 1.0920 1.1047 1.0947 1.0906 1.0909 1.0936 1.0961 1.0965 1.0924 1.1027 1.0935 1.0788 0.0003 0.0004 0.0008 0.0017 0.0026 0.0046 0.0086 0.0121 0.0108 0.0156 0.0306 0.0327 0.0789 0.0551 0.0343 0.0930 0.1094 0.1284 0.3478 0.1594 0.2087 0.1101 0.1425 0.2718 0.1809 0.5348 0.5940 0.4193 0.4935 0.5186 0.3046 0.4465 0.4475 0.3683 0.6111 0.8975 0.5381 0.4536 0.4647 0.6543 1.3161 1.6656 1.0356 1.4386 1.2220 1.5276 2.0164 1.2002 0.8300 1.3657 0.4394 1.0548 1.9004 1.4564 1.4173 2.8232 1.0525 0.7465 1.9716 1.6161 1.2137 2.7491 0.8359 0.8373 0.7837 1.0420 1.0637 1.3843 2.4920 0.9465 1.4132 1.7990 1.5491 2.8450 2.2249 1.4968 0.9619 0.9577 0.9807 3.0631 1.7975 3.2241 1.0788 1.7101 1.4057 1.4379 1.7898 6.3510 2.2348 2.0023 1.9154 2.1215 2.1747 3.0747 1.8913 3.1560 1.5654 1.9254 1.2522 1.1538 2.5729 1.6896 1.3212 1.2270 1.5297 1.9275 1.6707 2.4514 1.7991 1.9846 1.5631 2.1162 2.0096 2.3022 2.1442 3.9723 1.7633 1.8880 2.0174 3.4174 5.2370 2.0063 2.5154 3.3720 4.6364 2.6928 1.9575 1.9310 1.8134 1.7655 1.7569 1.8271 3.4329 1.8248 1.8147 11.1167 9.0795 11.8410 18.4426 18.2559 10.1030 4.7249 10.3037 6.3879 6.3859 6.4988 6.5424 6.5205 6.6325 6.6524 6.7415 6.6776 6.8811 7.0540 7.0601 7.1447 7.1331 7.2916 7.3281 7.3670 7.3818 7.4641 7.4917 7.5042 7.5679 7.7099 7.7624 9.5663 1.0462 1.0265 0.0341 0.6317 0.5982 0.0915 0.3599 0.8487 0.4553 1.4972 0.9987 0.2441 0.5297 0.6643 0.2735 4.0171 4.5109 1.9327 1.8662 0.1710 0.4306 2.7514 0.8952 0.5256 17.2142 1.4123 6.9768 0.0805 2.7411 5.8247 0.5396 2.0554 4.6910 0.0279 2.0031 0.7521 0.7331 1.0340 27.8391 20.4078 7.7033 3.7573 1.3902 9.8515 6.7275 0.7322 0.2729 7.5936 1.3418 4.9102 62.7970 7.3610 34.7029 9.3678 0.7206 7.9131 25.0529 76.8723 11.0714 11.8054 3.7814 22.3261 1.2029 18.6778 7.5841 13.0140 1.6199 1.2311 3.8243 0.8265 9.8384 19.7655 17.6409 171.9656 20.6895 2.6518 0.9127 1.1484 0.0768 46.1405 7.4873 6.1855 1.4271 32.2944 8.7271 3.5376 0.8510 38.8326 0.6894 4.0734 58.9048 5.6174 11.7457 14.1638 50.5606 76.7998 22.6364 19.5786 59.2320 1.8393 3.9952 43.7062 4.0992 43.1046 17.3483 343.6395 28.9660 19.4018 30.0913 100.0988 1.1625 4.9400 2.3799 13.7160 8.6834 1.0680 4.8224 5.7556 125.8120 7.4026 102.5244 41.6568 136.0615 117.8715 123.8441 49.9110 60.8187 33.6920 1.4353 11.1513 5.0776 41.5723 81.6572 2.9159 2.1088 531.7680 40.1750 0.6833 213.8666 260.0779 30.1979 681.8580 369.4190 24.2254 85.6369 40.6868 21.2880 17.6540 20.4870 20.1705 47.7200 12.0685 29.9279 43.3250 31.7595 7.5330 10.5499 1.5330 15.9459 3.7387 2.0377 0.4810 5.8651 1.2749 2.5191 0.6949 0.3986 92.0218 1.7936 2.4011 1.8966 2.9672 2.4483 4.6718 2.3200 4.3250 1.1557 2.5574 0.9583 0.7213 1.2029 2.4123 1.3006 2.1278 0.5632 0.4609 0.1214 1.8563 1.2212 1.5704 1.9989 5.2684 0.2790 1.5285 1.6657 0.8379 1.9090 1.1362 1.8272 2.1765 3.5254 0.0572 2.4290 3.3418 5.9565 0.8764 1.1245 0.3810 4.7162 0.7954 3.3055 1.7029 2.3917 3.3770 7.3143 8.5218 13.9972 1.3150 2.2656 22.9952 22.2219 12.7519 0.2560 18.2941 0.8524 4.6117 24.5409 3.6371 16.1915 12.5865 0.7076 2.8517 2.3322 1.6122 1.0213 3.1792 0.7729 1.4929 8.0541 5.4723 0.9255 2.4389 24.4614 6.4046 1.4840 1.2708 0.0674 0.0201 2.8441 2.1334 1.7714 7.4476 3.0023 1.7611 4.1054 52.1753 4.3049 6.0105 2.4180 39.2409 47.8074 2.5478 6.8387 7.7707 19.0125 13.3814 29.0273 13.1698 7.3322 7.3085 10.2015 7.2920 30.1072 20.9440 8.7281 28.1696 17.2956 80.6508 1.0926 53.2822 18.7281 17.5325 7.5379 90.6579 4.2615 6.3853 4.5212 0.7475 19.9452 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1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 14.00307 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 1.00783 1.00783 1.00783 1.00783 1.00783 14759.1889 38537.5265 52139.2806 0.99998 0.00590 0.00004 -0.00590 0.99998 0.00336 -0.00002 -0.00336 0.99999 1 0.00587 0.00225 0.00166 0.12228 0.04683 0.03461 11.02 15.84 22.82 32.79 44.72 56.61 70.42 78.69 105.31 111.13 141.88 192.95 206.33 221.74 228.95 274.70 300.96 314.00 337.37 350.51 367.85 389.35 406.51 451.72 471.35 508.51 533.65 546.25 563.74 584.59 601.52 627.75 655.72 662.64 689.45 706.77 717.71 739.18 804.59 811.64 819.74 859.44 898.19 929.15 952.33 974.25 996.47 999.12 1018.83 1038.40 1075.17 1097.15 1121.13 1130.65 1136.81 1178.13 1184.45 1241.14 1246.88 1283.69 1314.19 1320.92 1336.35 1357.92 1362.38 1367.46 1370.83 1402.34 1417.37 1433.59 1459.38 1468.84 1525.17 1546.26 1560.66 1568.03 1570.88 1588.76 1592.41 1599.03 1607.03 1614.12 1662.25 1671.08 1675.09 1691.58 1713.86 1720.43 1723.49 1737.05 1752.67 1778.91 1794.41 1812.03 1822.37 1831.02 1843.03 1864.71 1874.81 1876.03 1910.74 1930.48 1944.90 1947.19 1959.81 1992.72 2016.31 2027.68 2048.02 2065.39 2074.42 2079.15 2114.10 2120.96 2131.11 2165.64 2174.95 2207.77 2219.17 2220.44 2247.66 2258.13 2277.00 2292.37 2304.63 2336.09 2345.59 2347.32 2351.59 2359.56 2364.88 2374.80 2385.11 2387.08 2391.48 2479.30 2484.40 2525.08 2561.35 2569.03 2571.35 2607.80 2661.52 4569.89 4575.33 4625.04 4629.91 4642.89 4655.51 4668.25 4676.08 4696.48 4697.90 4730.92 4739.39 4784.90 4790.68 4815.57 4849.64 4871.62 4875.95 4896.97 4900.52 4903.54 4933.63 4956.43 4994.21 5581.62 0.502361 0.529267 0.530211 0.438025 -2487.324082 -2487.297176 -2487.296232 -2487.388418 3.091934D-04 MUNgauss RevisionA2.0 retrievium 16-Dec-2020 DUDE c1cc[nH+]c(c1)N2CCN(CC2)c3c4c5c(sc4nc(n3)CSc6ccc(cc6)Cl)CCC5 C03306437 RHF 6-31G(d) (6D,10F) C1 494.123992 |X|Y|Z| 140.934412 87.637081 22.444197 65.203314 32 6 7 16 25 5 2 |36.858105| |13.430112|36.858105| |8.087773|14.197690|36.858105| |7.089410|8.093923|13.937166|53.358707| |5.175213|5.905820|9.439117|26.043893|0.500000| |7.905672|6.758230|7.922235|19.236196|0.261322|36.858105| |14.033738|7.853765|6.938143|11.055499|0.162470|13.385023|36.858105| |5.215425|4.590996|5.288139|11.175489|0.210933|14.288976|7.806993|53.358707| |4.418906|3.708301|3.936890|7.088297|0.135019|7.751540|6.420575|17.538841|36.858105| |3.418933|2.976558|3.156753|5.417067|0.108040|5.200106|4.514648|10.476951|12.547267|36.858105| |2.974984|2.726569|2.997705|5.178655|0.109728|4.563052|3.740236|9.115982|7.888150|13.116154|53.358707| |3.171170|3.004252|3.443346|6.180060|0.137465|5.190983|3.947339|10.513809|6.697101|8.014323|17.864434|36.858105| |3.919788|3.779558|4.587126|9.279471|0.219177|7.754799|5.025009|17.649913|7.730997|6.632544|10.600822|12.498360|36.858105| |2.460006|2.280213|2.469142|4.071759|0.086304|3.429805|2.965488|6.126620|5.146409|7.881587|18.385430|7.908710|5.117429|36.858105| |2.159914|2.048067|2.234493|3.620795|0.078289|2.922608|2.530744|4.990084|3.968881|5.148699|10.583125|6.108902|4.345425|13.606602|36.858105| |2.081414|2.012289|2.226239|3.595493|0.079484|2.811760|2.403629|4.700734|3.585939|4.189908|8.189495|5.411788|4.259062|7.233248|13.139145|36.858105| |1.817618|1.769913|1.940963|3.056789|0.067177|2.352858|2.057296|3.787641|2.872469|3.282460|5.830486|3.987961|3.307655|5.158733|8.231806|14.265751|36.858105| |1.669379|1.611312|1.738416|2.699776|0.058249|2.099196|1.880038|3.337761|2.576053|3.033542|5.115984|3.419731|2.796209|4.872926|7.274985|7.337018|10.941061|388.023441| |1.894545|1.799255|1.935916|3.057075|0.065377|2.441954|2.177934|4.003150|3.177439|4.023087|7.071795|4.378837|3.334254|8.126663|13.637995|8.120225|7.749498|77.666641|36.858105| |1.839660|1.730279|1.835515|2.867691|0.060365|2.313029|2.109156|3.741167|3.014963|3.890419|6.265578|3.862182|2.991218|6.979093|7.898671|5.267490|5.068559|50.265243|14.413873|53.358707| |2.020393|1.870737|1.969715|3.097716|0.064358|2.556819|2.349607|4.189135|3.472171|4.773777|7.291631|4.276853|3.250478|8.359564|7.097651|4.638639|4.132329|34.995977|8.570342|19.813602|36.858105| |2.348879|2.149023|2.275805|3.665467|0.075912|3.110253|2.807691|5.326537|4.568059|7.128857|11.151729|5.760394|4.110952|14.552272|8.070391|5.051210|4.114816|30.867223|7.192838|11.046385|14.285500|53.358707| |1.898060|1.746576|1.808287|2.789107|0.057125|2.299716|2.178035|3.647141|3.015925|3.960273|5.471930|3.385750|2.725387|5.243666|4.549848|3.397148|3.149918|26.543768|5.282125|10.758151|12.669255|10.719576|36.858105| |1.920622|1.738141|1.769877|2.709029|0.054660|2.267047|2.206998|3.551885|3.066677|3.927261|5.000074|3.003949|2.544737|4.388985|3.752559|2.957950|2.726360|21.848758|4.042549|7.041835|6.961162|8.186575|10.392544|388.023441| |1.685009|1.536869|1.551724|2.328691|0.046883|1.914149|1.891152|2.908999|2.425234|2.924772|3.759466|2.392162|2.083805|3.168345|2.855015|2.367004|2.251109|18.209351|3.124524|5.297888|4.621305|5.427985|6.853194|75.895931|36.858105| |1.692010|1.537891|1.539191|2.289633|0.045761|1.880832|1.884343|2.815508|2.318614|2.743648|3.456084|2.254569|1.991118|2.815216|2.510147|2.114105|2.000490|15.836343|2.676055|4.384838|3.813868|4.734438|5.326855|49.062195|13.714363|36.858105| |1.526100|1.397936|1.394806|2.051885|0.041045|1.664730|1.674863|2.456276|1.989063|2.290048|2.922514|1.946104|1.744198|2.351280|2.148664|1.852493|1.777320|14.060096|2.297023|3.684794|3.059670|3.809527|4.006645|33.409737|7.906630|13.760582|36.858105| |1.396964|1.289631|1.291864|1.896832|0.038153|1.526400|1.526195|2.251230|1.815637|2.074334|2.698165|1.798308|1.615606|2.188570|2.049140|1.786182|1.739990|13.935158|2.225760|3.563853|2.854788|3.483562|3.647572|29.759854|6.884022|7.979674|13.773393|36.858105| |1.391031|1.287260|1.297372|1.915816|0.038733|1.541430|1.527377|2.293840|1.861749|2.144308|2.828571|1.861778|1.660744|2.336375|2.218705|1.926873|1.893594|15.436674|2.457873|3.992108|3.138983|3.722113|4.024102|33.415254|7.907366|6.870276|7.909181|13.769090|36.858105| |1.513862|1.394566|1.411588|2.105650|0.042631|1.708802|1.681956|2.578932|2.124216|2.503599|3.304037|2.126661|1.869981|2.789585|2.623056|2.226003|2.169804|17.874062|2.938827|4.928314|3.969426|4.569862|5.366434|49.066765|13.707899|7.946029|6.868483|7.978047|13.763772|36.858105| |1.255221|1.166717|1.165385|1.694312|0.034085|1.349651|1.354596|1.966107|1.564183|1.749906|2.288979|1.551768|1.413210|1.828979|1.734794|1.543398|1.515481|12.023951|1.870226|2.917784|2.282460|2.834067|2.767299|21.534102|4.227598|4.777064|7.049805|10.955657|7.047755|4.776424|448.794386| |1.718896|1.697868|1.871284|2.910968|0.064539|2.189643|1.916598|3.437348|2.550199|2.771516|4.718483|3.374481|2.997374|3.815462|5.167856|8.004353|12.688050|45.779380|4.812905|4.938811|3.120876|4.291621|2.524107|16.062950|1.918985|1.730882|1.560915|1.535048|1.658796|1.866536|10.904502|36.858105| |1.907236|1.891389|2.109304|3.323981|0.074646|2.486814|2.139203|3.931088|2.890385|3.031774|5.211967|3.758542|3.498685|3.913846|4.985846|7.989183|8.082919|33.258611|4.174966|4.416871|2.949721|4.263725|2.396440|15.672539|1.853680|1.686461|1.515252|1.476890|1.582600|1.780269|10.493658|12.288456|36.858105| |2.212182|2.172376|2.450291|3.998028|0.090673|3.050370|2.545266|5.063235|3.708165|3.967904|7.470973|5.395227|4.791720|5.383555|6.926509|12.614897|8.112367|34.165276|4.957246|5.103737|3.518647|5.378879|2.757414|17.829978|2.051654|1.868418|1.654839|1.591854|1.697410|1.929935|11.187566|7.656763|12.279492|36.858105| |17.734724|8.824859|5.724047|6.893808|0.111283|5.636291|9.078261|5.722828|3.836118|3.079717|3.618831|2.765603|3.269805|2.250240|1.982578|1.900914|1.677570|11.085865|1.763573|2.354254|1.901914|2.974649|1.813764|13.222929|1.650714|1.670892|1.515232|1.384317|1.370945|1.483712|10.029094|1.586443|1.743861|1.997123|0.500000| |8.731463|17.784389|9.048945|7.782895|0.128609|4.897299|5.607887|4.967216|3.077575|2.554646|3.218600|2.580488|3.135961|2.022152|1.838317|1.813360|1.615359|10.523410|1.635304|2.148551|1.696031|2.614669|1.597185|11.322606|1.425434|1.431970|1.312304|1.214199|1.208665|1.300709|8.882334|1.560274|1.725995|1.950089|0.210867|0.500000| |5.659726|8.915982|17.779102|12.563088|0.233353|5.738081|4.996589|5.916506|3.339567|2.783107|3.707452|3.156678|4.101245|2.288914|2.113314|2.136642|1.882947|11.946198|1.843022|2.366792|1.843522|2.861726|1.691187|11.675378|1.450402|1.436476|1.309606|1.219576|1.226355|1.329058|8.877861|1.839106|2.072195|2.371625|0.123954|0.211879|0.500000| |9.056998|5.619873|4.996324|7.807333|0.127212|8.800408|17.844500|9.537229|7.036667|4.956791|5.229918|3.836672|4.558491|3.072425|2.573750|2.396441|2.052909|13.522333|2.230148|2.979667|2.476540|4.053607|2.322543|17.116665|2.048534|2.048938|1.806833|1.634081|1.631216|1.803635|11.566851|1.891149|2.091304|2.485379|0.219862|0.123754|0.108441|0.500000| |3.986404|3.449020|3.685395|6.479549|0.127264|6.423296|5.410222|12.433181|17.564547|8.879218|9.674488|5.820066|6.878873|4.867614|3.969928|3.739863|2.984024|18.581443|3.153314|3.986785|3.276306|5.684872|2.819612|20.662902|2.305539|2.175292|1.880809|1.739135|1.800125|2.053522|12.078228|2.687921|3.132894|4.014987|0.097301|0.080734|0.088619|0.158745|0.500000| |4.945691|3.876300|3.884012|6.606076|0.119757|7.338622|7.503081|12.310410|17.717813|8.950687|7.754930|5.013584|5.629784|4.220807|3.338212|3.014243|2.498361|16.337304|2.794944|3.709127|3.158236|5.466308|2.863153|21.415191|2.422738|2.355133|2.023855|1.832026|1.859761|2.107814|12.697694|2.240580|2.497156|3.075910|0.122685|0.089473|0.090013|0.272675|0.302188|0.500000| |3.061650|2.657114|2.758122|4.552979|0.090457|4.227351|3.909705|7.642581|8.970666|17.646341|12.473319|5.745246|4.946269|7.350974|4.982197|4.002117|3.214162|21.671073|4.064230|5.504030|5.061552|10.028561|4.278113|32.657128|3.260385|2.995237|2.461601|2.230601|2.328139|2.764443|14.913587|2.700647|2.917885|3.696204|0.078722|0.064447|0.068214|0.122501|0.217747|0.215924|0.500000| |3.454879|2.985187|3.123094|5.257157|0.103238|5.009830|4.518462|9.322278|8.849695|17.530017|12.252817|7.196676|5.830394|6.769130|4.546279|3.665670|2.972788|20.197794|3.759511|5.163168|4.809194|9.640414|4.193111|28.857819|3.068968|2.953443|2.444242|2.174184|2.213671|2.571926|14.672817|2.519160|2.686666|3.414819|0.087255|0.071433|0.076344|0.139707|0.173729|0.216956|0.302731|0.500000| |2.766581|2.694242|3.110785|5.391127|0.124028|4.222859|3.304042|7.671597|4.984942|5.735033|12.421511|17.654599|8.971010|7.355975|6.821409|6.598666|4.713749|27.328762|4.764832|5.418172|4.151336|7.096274|3.232434|19.896797|2.264194|2.118182|1.847607|1.727706|1.800404|2.048060|12.040785|3.962065|4.401813|6.642014|0.067702|0.065450|0.081738|0.088401|0.129918|0.109701|0.127708|0.145615|0.500000| |3.193732|3.012492|3.405268|5.962183|0.128688|5.001150|3.938955|9.356786|5.871059|7.245223|12.322394|17.472810|8.883985|6.815788|5.197549|4.430967|3.484425|22.485026|4.060392|5.137387|4.303719|7.806325|3.523389|21.695689|2.462215|2.359808|2.033010|1.858192|1.902735|2.163144|12.862858|2.960340|3.168743|4.231563|0.077857|0.072151|0.086511|0.107020|0.134354|0.132045|0.146453|0.217793|0.301955|0.500000| |3.924379|3.990700|5.106233|10.428229|0.278258|7.282696|4.764539|12.349314|5.632981|5.027366|7.743126|9.041984|17.617152|4.233987|3.753641|3.743341|3.024992|18.386204|2.999554|3.696269|2.911335|4.829930|2.491577|16.343273|1.927184|1.860804|1.647331|1.527508|1.560724|1.739009|10.822094|2.801550|3.215402|4.201908|0.090069|0.092170|0.130779|0.115590|0.140241|0.126795|0.109738|0.133279|0.216960|0.223486|0.500000| |3.587650|3.523080|4.277149|8.251172|0.202063|6.424513|4.436927|12.342539|6.751188|5.656877|9.382186|8.836502|17.548068|4.781846|4.336442|4.565705|3.509676|20.256859|3.295016|3.928718|3.052453|5.117047|2.546417|17.126299|1.978006|1.872610|1.650031|1.543666|1.598167|1.798044|10.880962|3.271370|4.031652|5.664441|0.084154|0.082491|0.109150|0.112379|0.196408|0.139306|0.126605|0.131840|0.219107|0.173917|0.299439|0.500000| |1.961780|1.802249|1.860648|2.862266|0.058342|2.361813|2.247631|3.717177|3.018205|3.944873|5.317426|3.422799|2.755074|4.835740|4.078894|3.118272|2.866564|23.399755|4.489092|8.264200|8.941184|9.648811|17.608403|56.095109|6.201381|5.526467|4.145517|3.609857|3.764336|4.709545|22.248983|2.340731|2.244108|2.595494|0.052131|0.045779|0.048248|0.066607|0.076606|0.080399|0.114175|0.122262|0.089636|0.102908|0.070887|0.070142|0.500000| |1.716847|1.595441|1.652529|2.523754|0.051930|2.048611|1.943061|3.200528|2.597594|3.271455|4.615309|2.946355|2.416754|4.337546|4.080646|3.169418|3.059681|26.995480|5.029973|10.498076|9.001288|7.849436|17.671184|56.108004|6.759934|5.107867|4.060786|3.885189|4.460212|5.973902|23.601346|2.469828|2.293699|2.570016|0.045716|0.040821|0.043284|0.057052|0.068503|0.068656|0.096978|0.094619|0.080133|0.084499|0.062174|0.063522|0.299765|0.500000| |1.838605|1.656840|1.650743|2.459427|0.048836|2.038564|2.058050|3.048553|2.517770|2.994441|3.677135|2.405868|2.126912|2.940712|2.555817|2.143238|1.998810|15.547451|2.661065|4.299152|3.845869|4.990316|5.235247|46.867142|8.914990|17.735875|8.942486|5.669074|4.952066|5.649748|31.646718|1.730347|1.703046|1.908358|0.050531|0.042716|0.042542|0.062700|0.064568|0.071836|0.090313|0.091842|0.061906|0.070845|0.055198|0.054951|0.161413|0.130600|0.500000| |1.509954|1.383091|1.372656|2.005576|0.039972|1.622539|1.645046|2.369546|1.901448|2.159331|2.739084|1.849052|1.673363|2.167470|1.976830|1.720502|1.647064|12.871794|2.086375|3.288167|2.719497|3.464029|3.439608|27.636051|5.629059|8.898722|17.749834|8.925628|5.638926|4.952224|53.883812|1.458698|1.423057|1.553435|0.041866|0.036204|0.035810|0.049281|0.049723|0.054136|0.063737|0.064514|0.048658|0.053990|0.044194|0.043832|0.101533|0.095390|0.214974|0.500000| |1.298334|1.208182|1.219503|1.794888|0.036394|1.434396|1.418243|2.126749|1.715462|1.954166|2.605812|1.725812|1.548535|2.146919|2.075736|1.829400|1.819775|14.888706|2.310680|3.695913|2.819535|3.349588|3.459121|27.642316|5.629702|4.953228|5.638933|8.923425|17.750781|8.902287|53.856469|1.607837|1.525637|1.617111|0.035539|0.031607|0.032151|0.041846|0.046432|0.047441|0.058645|0.055525|0.046725|0.048702|0.040543|0.041666|0.089303|0.107755|0.107554|0.124211|0.500000| |1.489888|1.377961|1.402049|2.098219|0.042700|1.697945|1.657987|2.576750|2.127133|2.508205|3.371781|2.151290|1.886462|2.889589|2.780830|2.365492|2.333280|19.562488|3.181235|5.357655|4.144656|4.664357|5.302964|46.880912|8.913047|5.650108|4.951233|5.667911|8.941777|17.737094|31.640502|1.996477|1.887638|2.030137|0.040393|0.035665|0.036755|0.049163|0.057805|0.058033|0.077326|0.070240|0.058057|0.059992|0.048528|0.050849|0.122345|0.169313|0.124194|0.107538|0.215008|0.500000| |1.593106|1.570254|1.713609|2.633667|0.057789|1.984635|1.764051|3.074949|2.310325|2.494378|4.104934|2.882115|2.605997|3.321343|4.325441|5.940371|8.772731|42.007970|4.259668|4.557425|2.869152|3.868056|2.374481|15.372295|1.858896|1.670208|1.516209|1.504339|1.635118|1.832392|10.734565|17.579261|8.655517|5.654700|0.041148|0.040324|0.046793|0.048602|0.067967|0.057214|0.068736|0.063235|0.090828|0.071350|0.067752|0.078632|0.060740|0.065355|0.046033|0.039291|0.044367|0.054865|0.500000| |1.659601|1.654571|1.830960|2.827890|0.063054|2.097413|1.834659|3.252583|2.361827|2.550622|4.293584|3.196879|2.854082|3.433235|4.478878|6.325094|8.885367|40.287746|4.271553|4.530988|2.880137|3.939064|2.369004|14.888311|1.807044|1.645921|1.494228|1.469155|1.577662|1.758808|10.508907|17.532139|8.644830|6.221800|0.042531|0.042412|0.050432|0.049960|0.068127|0.058018|0.068187|0.065591|0.105744|0.079502|0.076031|0.085346|0.061922|0.064819|0.045776|0.038976|0.042541|0.051877|0.302744|0.500000| |1.867667|1.839779|2.029608|3.174592|0.070315|2.397112|2.091860|3.760852|2.836536|2.938958|4.891026|3.390363|3.227038|3.650365|4.493862|6.524676|6.588217|30.302609|3.851009|4.182381|2.817095|4.057772|2.318834|15.565344|1.840737|1.667712|1.500133|1.467643|1.578837|1.777284|10.432639|8.816752|17.579858|8.809552|0.047717|0.046753|0.055116|0.057217|0.087277|0.068719|0.080402|0.071650|0.105249|0.079919|0.081342|0.103800|0.059830|0.061707|0.046619|0.039066|0.042401|0.052622|0.225112|0.175340|0.500000| |1.877025|1.889228|2.124561|3.316532|0.075337|2.423062|2.079070|3.748403|2.681055|2.738828|4.587191|3.453741|3.347540|3.341814|4.033725|5.794568|5.838208|27.253439|3.456798|3.798114|2.576370|3.728550|2.141656|14.054573|1.688405|1.553218|1.405831|1.369361|1.456970|1.622612|9.810908|8.650270|17.588629|8.642269|0.047564|0.048119|0.058767|0.055808|0.080292|0.064903|0.072423|0.068339|0.112226|0.082065|0.087959|0.107920|0.056465|0.057100|0.043688|0.036900|0.039091|0.047458|0.189724|0.219073|0.302875|0.500000| |2.318323|2.312798|2.663296|4.394201|0.102633|3.263320|2.657427|5.394893|3.713351|3.889228|7.297027|6.028460|5.472831|4.989494|5.942379|8.817520|6.362045|29.804778|4.382177|4.679410|3.289128|5.079374|2.620459|16.740462|1.951029|1.801541|1.601680|1.532501|1.618352|1.825144|10.826314|6.233172|8.699204|17.498454|0.057532|0.057469|0.072334|0.070789|0.108505|0.085282|0.096969|0.095231|0.226613|0.130169|0.138754|0.180616|0.070028|0.067727|0.051474|0.042051|0.042749|0.052766|0.130401|0.161047|0.176026|0.221085|0.500000| |2.399518|2.332719|2.626228|4.340999|0.097674|3.374854|2.798233|5.697195|4.293806|4.417228|8.160069|5.538193|5.273682|5.378981|6.172838|8.753382|5.999030|28.966481|4.422090|4.770897|3.417264|5.385259|2.714140|18.150396|2.068247|1.886612|1.664590|1.594555|1.696550|1.933200|11.185177|5.656249|8.661433|17.564836|0.059925|0.057710|0.069724|0.076089|0.136267|0.096921|0.114969|0.101387|0.171735|0.117454|0.121999|0.185299|0.070931|0.069390|0.053781|0.043444|0.044769|0.056353|0.129444|0.130199|0.225247|0.189785|0.302170|0.500000| 2486.038382 -13025.189561 4706.573768 -249.610902 -6082.188314 3594.361801 -2487.826512 2.000719 40E3D40000000018 450BDB2B410DF654 448B88918C68BC20 42A4F341CEF5FFFB 33ACECC511CEF8B8 45436C6C3F945396