Version2.4 2021-06-06T23:19:38Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 30-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE COc1cc(ccc1OCC(=O)[O-])[C@H]2Nc3ccccc3-c4c(nc(nn4)SCc5ccccc5)O2 C09601807 RHF 6-31G(d) (6D,7F) COc1cc(ccc1OCC(=O)[O-])[C@H]2Nc3ccccc3-c4c(nc(nn4)SCc5ccccc5)O2 C01[X(C26H21N4O5S1)] 165 C1 586 COc1cc(ccc1OCC(=O)[O-])[C@H]1Nc2ccccc2-c2c(O1)nc(SCc1ccccc1)nn2 COc1cc(ccc1OCC(=O)[O-])[C@H]1Nc2ccccc2-c2c(O1)nc(SCc1ccccc1)nn2 COc1cc(ccc1OCC([O-])=O)[C@H]2Nc3ccccc3c4nnc(SCc5ccccc5)nc4O2 InChIKey=BCJQUNKPDHIJSG-DEOSSOPVSA-M InChI=1S/C26H22N4O5S/c1-33-21-13-17(11-12-20(21)34-14-22(31)32)24-27-19-10-6-5-9-18(19)23-25(35-24)28-26(30-29-23)36-15-16-7-3-2-4-8-16/h2-13,24,27H,14-15H2,1H3,(H,31,32)/p-1/t24-/m0/s1 InChI=1/C26H22N4O5S/c1-33-21-13-17(11-12-20(21)34-14-22(31)32)24-27-19-10-6-5-9-18(19)23-25(35-24)28-26(30-29-23)36-15-16-7-3-2-4-8-16/h2-13,24,27H,14-15H2,1H3,(H,31,32)/p-1/t24-/m0/s1/fC26H21N4O5S/q-1 COc1cc(ccc1OCC(=O)[O-])[C@H]2Nc3ccccc3-c4c(nc(nn4)SCc5ccccc5)O2 C01[X(C26H21N4O5S1)] 165 C01 586 COc1cc(ccc1OCC(=O)[O-])[C@H]1Nc2ccccc2-c2c(O1)nc(SCc1ccccc1)nn2 CO[C]1[CH][C]([CH][CH][C]1OC[C]([O])=O)[C@H]1N[C]2[CH][CH][CH][CH][C]2[C]2[C]([N][C]([N][N]2)SC[C]2[CH][CH][CH][CH][CH]2)O1 CO[C]1[CH][C]([CH][CH][C]1OCC([O])=O)[C@H]2N[C]3[CH][CH][CH][CH][C]3[C]4[N][N][C]([N][C]4O2)SC[C]5[CH][CH][CH][CH][CH]5 InChIKey=NRAOUCIGRSUQDO-DEOSSOPVSA-N InChI=1S/C26H21N4O5S/c1-33-21-13-17(11-12-20(21)34-14-22(31)32)24-27-19-10-6-5-9-18(19)23-25(35-24)28-26(30-29-23)36-15-16-7-3-2-4-8-16/h2-13,24,27H,14-15H2,1H3/t24-/m0/s1 InChI=1/C26H21N4O5S/c1-33-21-13-17(11-12-20(21)34-14-22(31)32)24-27-19-10-6-5-9-18(19)23-25(35-24)28-26(30-29-23)36-15-16-7-3-2-4-8-16/h2-13,24,27H,14-15H2,1H3/t24-/m0/s1 3670.5747074798 -1986.390294 1-A 31868.7859 131 455 586 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1506.4841 1539.1986 1556.9812 1582.6829 1596.6213 1600.7597 1620.4359 1629.1541 1630.5624 1638.1844 1646.2890 1652.6282 1661.8183 1671.5417 1678.9983 1703.3758 1752.1970 1777.4598 1786.3328 1787.2947 1803.1453 1806.9012 1812.2169 1815.3639 1945.0757 3190.2864 3206.8015 3244.4025 3253.6993 3262.9035 3279.9822 3320.6546 3334.6335 3338.7230 3350.5231 3356.7824 3359.7994 3366.0249 3371.6984 3375.5674 3384.9471 3386.1536 3397.5588 3420.6947 3423.6267 3799.3548 6.7991 7.0297 3.8806 6.0980 6.4448 9.3607 5.9404 5.7385 6.4568 5.9489 3.5903 7.4450 6.6796 6.4996 5.4303 4.8408 3.1461 4.7844 6.4954 5.7138 4.1159 6.5607 5.8391 3.1463 2.4474 6.1085 6.5813 2.8750 4.8588 2.3036 4.3969 5.0389 6.8653 2.9134 5.3353 6.7747 7.4896 4.5017 3.9009 4.4756 5.0614 6.2874 5.9354 4.9218 4.8874 5.8032 5.9463 4.9107 2.6859 4.4787 6.3148 6.0063 6.1074 5.5478 6.3985 3.7921 3.6355 5.2511 2.0315 4.9693 4.6456 2.5875 4.0548 1.7981 3.3317 2.9790 5.5417 6.1662 1.4774 2.5905 1.2502 1.4464 1.5301 1.8660 5.0918 1.6139 1.4478 3.1647 4.9319 1.4882 5.8626 6.2726 1.3661 1.3264 1.3210 2.2898 4.0650 2.3111 6.2665 2.4943 1.6961 4.2084 5.8324 2.0560 2.8988 2.6014 2.7638 1.6602 1.0880 1.2714 2.3676 1.1885 2.4055 3.2197 1.5846 1.6995 4.4007 1.5623 2.6693 1.0838 2.9265 3.5558 1.6264 1.4283 1.8910 2.7901 1.2913 1.4398 2.1406 7.4337 1.7940 3.3374 4.3912 2.2604 1.7285 2.1397 1.1306 1.1012 1.3442 2.3016 1.0493 1.0596 2.2012 2.2774 3.2352 9.8734 5.6115 5.2546 5.8234 6.7962 6.3947 5.2943 6.5304 12.0656 1.0360 1.0561 1.1064 1.1090 1.0878 1.0593 1.0994 1.1097 1.0909 1.0861 1.0897 1.0874 1.0928 1.0920 1.0960 1.0959 1.0990 1.0964 1.0904 1.0923 1.0755 0.0005 0.0008 0.0010 0.0024 0.0030 0.0071 0.0066 0.0092 0.0172 0.0181 0.0132 0.0318 0.0402 0.0497 0.0475 0.0597 0.0451 0.0809 0.1262 0.1452 0.1193 0.2066 0.1986 0.1376 0.1269 0.3600 0.4083 0.1939 0.3494 0.1838 0.3593 0.5232 0.8092 0.3559 0.6713 0.9244 1.1800 0.7281 0.6349 0.7457 0.8845 1.2242 1.2164 1.0395 1.0838 1.3566 1.4349 1.2115 0.7163 1.2171 1.7260 1.7679 1.9359 1.8135 2.2007 1.3287 1.2880 1.9512 0.7628 1.8980 1.8058 1.0872 1.7492 0.8003 1.4951 1.4006 2.6931 3.0886 0.7497 1.3898 0.6736 0.8319 0.8825 1.0826 2.9838 1.0247 0.9278 2.0302 3.2448 1.0187 4.0964 4.3991 0.9723 0.9706 0.9810 1.7170 3.0570 1.7421 4.8530 1.9454 1.3988 3.5102 4.9190 1.7410 2.5026 2.2794 2.5304 1.5481 1.0380 1.2584 2.3565 1.1871 2.4671 3.3115 1.6403 1.8016 4.7372 1.6910 2.9308 1.2268 3.3246 4.1389 1.9433 1.7127 2.2787 3.5048 1.6767 1.8700 2.8077 9.9400 2.5042 4.7668 6.4808 3.3950 2.6096 3.3103 1.7680 1.7249 2.1254 3.6752 1.6884 1.7241 3.6237 3.7826 5.5306 17.8600 10.4455 9.8791 10.9603 13.0191 12.3010 10.2443 12.6800 26.8950 6.2128 6.3989 6.8616 6.9171 6.8238 6.7145 7.1425 7.2704 7.1647 7.1838 7.2343 7.2322 7.2950 7.3142 7.3580 7.3983 7.4245 7.4568 7.5174 7.5431 9.1469 3.7913 2.8988 0.0601 2.4404 4.0626 0.8042 1.5284 0.2618 1.8016 2.2928 7.7179 2.6142 0.8198 0.2790 1.6134 1.0053 9.6301 5.6946 1.5737 0.2480 2.1141 0.7905 0.8622 2.7972 1.0215 3.1478 1.3018 1.5854 2.0832 0.4115 1.5126 5.2322 6.1502 0.0388 4.4769 4.2355 4.2671 8.1244 0.6127 21.6876 5.0144 1.0341 10.1221 3.6499 7.5807 10.1649 8.3243 6.9795 17.0314 1.4075 0.0529 15.1281 1.4078 9.4988 84.5327 25.5405 16.5711 41.4387 44.4209 14.4842 22.8774 15.8466 61.1414 163.5916 3.4291 9.8289 7.0837 4.7232 37.9001 51.5392 0.0067 34.6504 0.1453 1.0857 80.0059 0.4214 2.5567 5.6668 1.6007 1.0223 19.4477 0.8537 0.0073 0.2809 0.2615 4.7219 78.3206 2.0123 159.4082 19.2781 2.5537 9.1089 176.6746 0.8332 46.1845 27.1110 215.6190 38.0853 0.0019 2.3302 304.7932 0.6707 5.8444 111.6477 1.9234 25.1583 437.8394 0.1865 64.8581 10.7573 107.8782 280.3526 65.2481 17.1592 22.2254 439.1580 1.2217 167.2887 5.9165 173.0879 479.1998 142.2374 286.9252 107.9775 152.1129 9.3384 71.5996 7.9550 0.6353 137.2390 2.9938 26.5099 16.8103 6.9519 288.8211 93.2500 26.7276 1.2003 43.7525 255.8928 113.4193 2.4482 47.4065 643.7202 51.9257 38.3839 57.2504 67.6034 38.2026 10.1406 48.6752 2.3583 28.6456 3.7371 0.0590 0.3142 24.2048 17.9293 50.5791 31.1472 29.7824 15.0703 15.3690 5.9877 13.1012 3.0859 1.1127 5.9906 3.3908 3.5124 0.5127 1.8272 1.1498 2.1155 1.6409 1.1862 0.9288 2.5260 3.0676 5.5841 1.9314 0.3554 0.9718 1.1182 0.9341 4.0820 1.6842 4.3404 0.5968 1.0315 1.7485 0.3603 1.6057 2.5077 0.1812 4.7043 1.0184 3.1380 0.0705 0.4769 2.0286 1.6292 2.3567 1.1511 2.0563 1.3952 4.4658 5.1547 1.4053 2.5932 1.4110 0.9004 4.0158 3.5287 3.2086 5.6157 3.5139 9.3806 4.5265 9.0101 7.1686 1.3790 2.3947 21.8410 6.3482 18.2417 1.6269 0.9119 1.5287 11.4776 13.4559 7.1679 4.2870 1.8889 6.3534 2.6167 1.5703 1.0628 2.4598 19.1533 1.0936 2.8958 4.7856 6.9427 3.4682 17.2743 41.9980 0.0226 0.5384 0.6734 0.7970 10.6798 13.2265 4.3216 11.2040 0.7277 6.4542 42.2398 2.5087 19.3104 28.7718 35.2797 20.5532 15.6157 3.0251 7.5283 3.0046 12.8395 33.1275 1.8244 9.0344 95.2532 4.0446 64.2954 11.5122 62.3952 6.3808 8.0170 45.1203 46.6399 37.4598 0.4624 16.4962 17.3308 9.2837 60.8640 2.0607 109.1450 66.4612 48.5339 1.2176 18.1770 14.6291 6.0773 18.0569 18.8395 11.7504 0.6829 33.3015 20.8064 6.3236 42.1896 7.5177 12.0429 111.7092 102.8349 38.4908 543.0431 0.8099 72.4521 74.0115 37.6911 36.6549 49.5849 50.9402 127.4689 28.6072 81.3826 18.0365 115.2257 42.9292 88.0466 95.2571 27.0716 141.9357 348.7718 159.9354 13.0898 144.3909 59.3291 0.7426 0.7466 0.7498 0.7482 0.7485 0.7450 0.7147 0.5876 0.7483 0.7365 0.7167 0.4758 0.5541 0.3607 0.5701 0.7391 0.5206 0.4976 0.6148 0.6803 0.7243 0.6757 0.6922 0.1918 0.7348 0.6371 0.7093 0.7486 0.1822 0.7253 0.2459 0.7413 0.5770 0.7404 0.4194 0.5884 0.3155 0.6393 0.6025 0.5741 0.5723 0.4660 0.2635 0.7478 0.6415 0.1257 0.7500 0.7457 0.7022 0.2286 0.7500 0.3865 0.3632 0.2746 0.1973 0.2077 0.6398 0.7104 0.2402 0.2516 0.1210 0.2557 0.4212 0.7131 0.7367 0.0247 0.1964 0.0646 0.4735 0.3766 0.7499 0.6545 0.7493 0.5888 0.1260 0.5505 0.5257 0.4476 0.0861 0.1699 0.0881 0.1306 0.7310 0.7197 0.7470 0.7268 0.7432 0.1475 0.4723 0.0728 0.7499 0.4694 0.5444 0.7486 0.5513 0.4033 0.1835 0.1336 0.7499 0.7463 0.4946 0.5170 0.1409 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12.00000 1.00783 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 14.00307 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 8063.4812 52710.7932 57291.5371 0.99999 -0.00522 0.00109 0.00520 0.99986 0.01597 -0.00118 -0.01597 0.99987 1 0.01074 0.00164 0.00151 0.22382 0.03424 0.03150 16.14 19.43 29.42 37.32 40.72 51.70 62.60 74.89 96.78 103.30 113.85 122.46 145.47 163.87 175.39 208.20 224.31 243.74 261.23 298.77 319.06 332.64 345.68 391.97 426.77 455.02 466.90 486.83 502.62 529.40 535.82 603.98 643.53 655.18 664.90 692.37 744.03 753.81 756.22 765.09 783.60 827.10 848.57 861.44 882.70 906.27 920.79 931.01 967.98 977.12 979.95 1016.93 1055.30 1071.69 1099.29 1109.54 1115.68 1142.59 1148.59 1158.42 1168.63 1215.03 1231.14 1250.51 1255.67 1285.28 1306.68 1326.59 1335.26 1372.95 1375.84 1421.56 1423.51 1427.69 1434.89 1493.62 1500.52 1501.29 1520.38 1550.80 1566.85 1569.74 1581.38 1603.40 1615.30 1623.12 1625.49 1627.40 1649.53 1655.38 1702.23 1711.89 1721.40 1724.86 1741.63 1754.62 1793.55 1810.05 1830.90 1864.80 1870.05 1873.32 1898.25 1900.95 1907.10 1929.90 1944.77 1950.11 1964.10 1994.24 1997.85 2022.28 2048.97 2052.54 2057.64 2100.84 2135.94 2136.17 2146.74 2167.49 2214.56 2240.15 2277.13 2297.18 2303.14 2331.45 2343.99 2346.02 2356.98 2368.64 2377.76 2390.99 2404.98 2415.70 2450.78 2521.02 2557.37 2570.13 2571.52 2594.32 2599.73 2607.38 2611.90 2798.53 4590.11 4613.87 4667.97 4681.35 4694.59 4719.16 4777.68 4797.79 4803.68 4820.66 4829.66 4834.00 4842.96 4851.12 4856.69 4870.18 4871.92 4888.33 4921.62 4925.84 5466.42 0.466334 0.495223 0.496168 0.399875 -1985.923960 -1985.895071 -1985.894126 -1985.990419 3.229683D-04 MUNgauss RevisionA2.1 retrievium 06-Jun-2021 DUDE COc1cc(ccc1OCC(=O)[O-])[C@H]2Nc3ccccc3-c4c(nc(nn4)SCc5ccccc5)O2 C09601807 RHF 6-31G(d) (6D,10F) C1 501.123267 |X|Y|Z| 164.750100 59.717364 34.047066 69.449428 29 6 7 8 16 23 4 1 1 |36.858105| |13.690080|73.516695| |8.049563|25.181183|36.858105| |6.780849|14.099150|13.892512|36.858105| |4.520887|9.219877|7.889019|13.559442|36.858105| |3.812426|8.237752|6.881138|7.974639|13.898355|36.858105| |3.995720|9.419831|7.926446|6.887293|7.908821|13.631971|36.858105| |5.242466|14.487681|13.385699|7.853487|6.770964|7.877485|13.791814|36.858105| |4.800237|13.130868|8.180406|5.306590|4.613786|5.206193|7.925758|14.448703|73.516695| |3.537251|8.469152|5.213063|3.972005|3.774646|4.499708|6.714039|8.028964|23.808034|36.858105| |3.130620|7.084200|3.959264|3.132387|2.928151|3.300018|4.348526|5.108827|13.572670|12.252774|36.858105| |3.394781|7.617451|3.954315|3.087447|2.786170|3.012956|3.822919|4.722882|12.466284|7.975486|15.605730|73.516695| |2.612796|5.679139|3.246189|2.694514|2.600740|2.965389|3.782659|4.091414|9.553213|8.309993|15.434859|15.118891|73.516695| |3.669352|6.848958|5.011670|7.487477|12.651339|7.673110|5.040884|4.413569|6.013961|2.923794|2.383353|4.062717|3.858846|36.858105| |3.100821|5.874120|4.203791|5.599804|8.974435|7.418916|4.809019|3.984584|5.561171|2.804579|2.288854|3.848751|3.767660|17.603953|0.500000| |3.372717|6.119303|4.231774|5.797782|7.580548|5.614964|4.143008|3.755243|5.344391|2.637942|2.201516|3.780391|3.587745|13.038818|0.259322|53.358707| |3.716775|6.381807|4.181383|5.626446|5.968955|4.445692|3.610041|3.519918|5.148425|2.498072|2.131746|3.736884|3.443313|7.684417|0.158927|18.347453|36.858105| |3.856837|6.638336|4.207643|5.191756|5.080727|4.079884|3.538575|3.566613|5.338335|2.582858|2.226207|3.933939|3.576800|5.437673|0.121281|10.580345|13.720520|36.858105| |3.758151|6.131493|3.619605|4.199984|3.877953|3.224868|2.932507|3.056912|4.771520|2.319121|2.059050|3.705148|3.309659|4.044350|0.093949|6.989642|7.921566|13.767467|36.858105| |3.550667|5.561644|3.212307|3.756787|3.453991|2.850300|2.583271|2.695471|4.248250|2.074101|1.862473|3.370305|3.006393|3.730059|0.087448|6.178794|6.838742|7.927361|13.743180|36.858105| |3.444271|5.411806|3.202068|3.914133|3.697694|2.966531|2.610654|2.675655|4.151515|2.029601|1.806325|3.244604|2.925995|4.264178|0.098799|7.032266|7.908244|6.884124|7.962821|13.776693|36.858105| |3.512197|5.739700|3.581233|4.669835|4.689633|3.588117|3.007818|2.993454|4.502693|2.196910|1.913934|3.390908|3.102770|6.013966|0.132426|10.743758|13.646752|7.924440|6.870758|7.914231|13.718816|36.858105| |3.085473|5.118848|3.212719|4.155135|4.395066|3.425822|2.827826|2.752935|4.154647|2.056182|1.793066|3.156603|2.932075|6.078341|0.142615|9.302795|7.689184|5.078258|4.481695|5.056808|7.626470|12.883813|36.858105| |3.151854|5.384370|3.491823|4.648293|5.246651|3.995584|3.175701|3.017582|4.466431|2.209440|1.897992|3.309981|3.104401|7.985930|0.191223|9.566236|6.336712|4.361755|3.703906|3.897728|5.119086|7.523538|13.350934|36.858105| |2.697746|4.648583|2.961832|3.722786|4.191083|3.445850|2.806506|2.644928|3.998541|2.016821|1.750449|3.043661|2.892532|5.762255|0.158710|6.836190|4.480951|3.384784|2.978546|3.146370|3.966179|5.137932|8.071831|14.809838|53.358707| |2.375485|4.038050|2.502750|3.035533|3.298317|2.802319|2.359753|2.252779|3.483936|1.775138|1.566814|2.738980|2.604163|4.265321|0.117360|5.579248|3.890150|3.046189|2.783711|3.029157|3.853907|4.677554|7.343223|8.575514|19.351646|36.858105| |2.339966|3.914797|2.389470|2.876765|3.045057|2.580692|2.204979|2.134103|3.327519|1.692220|1.505764|2.648699|2.499741|3.864255|0.102766|5.447661|4.064882|3.205770|3.015608|3.408047|4.503607|5.248264|8.377713|7.162220|11.029711|14.673358|53.358707| |2.622603|4.333085|2.648631|3.252690|3.393801|2.795164|2.376131|2.320843|3.589898|1.804574|1.599338|2.823357|2.636987|4.373602|0.110380|6.595235|5.334676|4.022711|3.798374|4.456909|6.504912|7.937354|14.725118|8.124985|9.558864|8.465463|19.565923|53.358707| |2.010150|3.457093|2.117953|2.472164|2.675956|2.383158|2.055613|1.955332|3.080167|1.596898|1.424725|2.484150|2.391827|3.253902|0.093315|4.180838|2.882218|2.386807|2.213479|2.370414|2.852419|3.263876|4.370793|4.999119|9.911717|10.795449|9.745349|6.665787|388.023441| |1.794188|3.053984|1.837014|2.106117|2.229168|2.002802|1.762971|1.697624|2.713779|1.413490|1.277938|2.241184|2.151873|2.642420|0.074279|3.565182|2.556783|2.177119|2.077509|2.265542|2.702742|2.940959|3.756953|3.810386|6.430561|6.842611|9.074634|6.228152|74.177667|36.858105| |1.594807|2.733848|1.634959|1.840676|1.943426|1.782033|1.589991|1.530236|2.471987|1.300143|1.183985|2.074179|2.005758|2.244577|0.063784|3.000653|2.138386|1.862990|1.784491|1.920865|2.226590|2.389617|2.909388|2.998574|4.921185|4.602869|5.943452|4.570719|49.703907|12.611303|36.858105| |1.473904|2.551560|1.531289|1.712382|1.825586|1.699019|1.518644|1.450166|2.349690|1.246563|1.136582|1.982654|1.936347|2.101617|0.060564|2.830716|1.993512|1.752187|1.670397|1.774290|2.025543|2.180671|2.598920|2.680738|4.313065|3.847793|4.979038|3.999434|38.521179|7.557649|13.707064|36.858105| |1.345313|2.336323|1.394409|1.540342|1.633410|1.537408|1.389686|1.329838|2.172338|1.159667|1.064009|1.856268|1.820145|1.845596|0.053210|2.473939|1.745115|1.556200|1.490123|1.573332|1.768792|1.885365|2.193222|2.267663|3.572676|3.046875|3.951317|3.303055|28.814759|5.016278|7.899231|13.754988|36.858105| |1.314558|2.274122|1.347383|1.479265|1.551944|1.459970|1.330383|1.282438|2.105462|1.123021|1.035236|1.812163|1.769767|1.731223|0.049513|2.301818|1.637060|1.468556|1.415395|1.499391|1.679624|1.773054|2.047422|2.120015|3.319621|2.795092|3.627102|3.064190|26.075612|4.429778|6.828222|7.935742|13.750854|36.858105| |1.397532|2.399309|1.415784|1.558893|1.621672|1.511038|1.377056|1.336301|2.191307|1.161346|1.070344|1.880650|1.821775|1.807640|0.051203|2.389060|1.713396|1.531025|1.481875|1.583674|1.787744|1.878714|2.187728|2.265774|3.572383|3.046032|3.950418|3.296959|28.847649|5.016363|7.899219|6.889488|7.954003|13.750706|36.858105| |1.543276|2.634112|1.559677|1.737927|1.809250|1.663664|1.502217|1.458534|2.373695|1.248636|1.144296|2.012389|1.938295|2.046136|0.057656|2.705684|1.946673|1.716527|1.658817|1.789138|2.054100|2.170403|2.589790|2.677595|4.312484|3.846043|4.977213|3.988628|38.598604|7.557858|13.706664|7.965749|6.889436|7.935701|13.755127|36.858105| |3.745971|6.586910|4.518605|6.609860|8.003935|5.368939|4.037159|3.799356|5.388701|2.605166|2.182421|3.785666|3.528765|13.448944|0.260387|11.082246|6.715940|4.703569|3.818720|3.802416|4.656041|6.639763|7.972433|14.323936|11.514422|5.525756|6.510284|7.311140|27.862535|3.060212|2.536125|2.310104|2.005892|1.894939|2.012783|2.320605|73.516695| |17.531219|16.454457|7.037619|6.761288|4.579918|3.757111|3.795061|4.730753|7.502752|3.217590|2.838918|5.376880|4.291130|3.820883|0.089495|4.624452|3.701392|3.636400|3.516057|3.464257|3.523951|3.638294|3.309848|3.454179|4.040774|2.589708|3.435614|3.818379|15.527927|1.927479|1.706622|1.563066|1.422988|1.395607|1.494263|1.658880|7.346975|0.500000| |17.530872|16.455282|7.064852|6.787621|4.595038|3.764527|3.803747|4.749199|7.537062|3.235020|2.861110|5.434110|4.318552|3.860127|0.088781|5.065163|4.338788|4.700678|4.721079|4.380559|4.090069|4.065987|3.388106|3.331709|3.790060|2.471041|3.375494|3.879063|14.602781|1.849929|1.630031|1.506423|1.368006|1.330522|1.412672|1.566599|6.931672|0.299198|0.500000| |17.639245|17.070814|5.900563|4.932651|3.620943|3.197718|3.419753|4.411961|7.782117|3.335544|3.098938|6.186206|4.589171|3.037856|0.073311|3.873100|3.123030|3.287204|3.310155|3.167981|3.023374|3.000054|2.668446|2.696620|3.216129|2.121195|2.861111|3.171722|13.000298|1.653833|1.484022|1.374497|1.262930|1.239844|1.317854|1.446055|5.514839|0.299791|0.299652|0.500000| |7.591186|12.667956|8.979580|17.785424|8.900025|5.679702|4.964863|5.604674|7.612983|3.318997|2.748049|4.919489|4.243396|6.946038|0.141286|7.854821|6.261559|5.584254|4.702737|4.393047|4.705952|5.576570|4.815000|5.204185|5.469489|3.297298|4.325253|5.013548|18.601150|2.241924|1.935494|1.779433|1.591783|1.532866|1.628436|1.830993|12.849784|0.228326|0.228044|0.147663|0.500000| |3.144942|6.528093|4.953519|5.645254|8.946919|17.679820|8.922371|5.635217|7.473191|3.913274|2.966706|4.767450|4.896742|7.105360|0.227678|7.361319|4.082834|3.690069|2.936743|2.621957|2.751575|3.340268|3.283881|3.863065|4.681130|2.807876|3.483851|3.710763|17.251774|2.027371|1.813164|1.747084|1.581235|1.491168|1.531059|1.680179|8.791414|0.086932|0.087024|0.075275|0.124361|0.500000| |3.332467|7.592443|5.632575|4.965056|5.655555|8.918775|17.787022|8.956385|12.598763|7.490144|4.680338|6.912210|7.554654|4.125911|0.114755|4.800595|3.080153|3.046286|2.575202|2.283265|2.297220|2.610732|2.484327|2.767680|3.413908|2.142780|2.726158|2.901964|13.549598|1.645186|1.499570|1.444012|1.330274|1.273321|1.310489|1.418830|6.018215|0.088135|0.088260|0.082128|0.107823|0.217085|0.500000| |3.253243|7.542501|4.797782|3.838689|3.791150|4.658552|6.899325|7.207369|16.494060|17.553327|8.846610|11.028808|13.241453|2.969681|0.079761|3.723967|2.567213|2.687220|2.385499|2.101544|2.042764|2.220342|2.062826|2.201000|2.724135|1.766387|2.301140|2.463221|11.267394|1.407227|1.292835|1.245537|1.157255|1.115419|1.148616|1.234792|4.586679|0.081948|0.085563|0.084509|0.088962|0.115177|0.231093|0.500000| |3.239533|7.517382|4.751369|3.793763|3.736259|4.581938|6.767565|7.106234|16.492231|17.557266|8.826773|10.962823|13.283323|2.919365|0.079387|3.505319|2.394631|2.417369|2.161196|1.959036|1.946876|2.125854|2.028165|2.214759|2.787949|1.793880|2.302799|2.429351|11.589615|1.430932|1.321803|1.269290|1.183250|1.146649|1.184579|1.270918|4.652595|0.084722|0.081879|0.084349|0.088161|0.113525|0.227679|0.301140|0.500000| |3.173142|5.932330|4.130352|5.313028|7.068541|5.931698|4.388077|3.849729|5.493241|2.757816|2.284480|3.880520|3.744559|9.449458|0.227445|25.940331|9.496249|7.489909|4.878787|4.089782|4.342026|5.888213|5.085603|5.192053|5.545831|3.442055|4.586209|5.368024|19.293449|2.352674|2.019138|1.932039|1.705932|1.585681|1.631885|1.826519|10.585648|0.086587|0.096737|0.075342|0.138196|0.164569|0.105406|0.081277|0.074313|0.500000| |3.737887|6.786102|4.403117|5.179313|5.229229|4.452091|3.922728|3.894969|5.807788|2.831181|2.411636|4.217017|3.875463|5.207018|0.120157|9.670108|8.927753|17.715054|8.913627|5.640039|4.957686|5.640537|4.132788|3.793710|4.145060|2.722956|3.813339|4.586556|15.615387|1.995019|1.732386|1.645864|1.473180|1.389899|1.440006|1.600043|7.506280|0.095455|0.123399|0.089231|0.142280|0.111656|0.094123|0.083680|0.072692|0.222704|0.500000| |3.579823|5.905818|3.393530|3.724481|3.413159|2.955887|2.777885|2.932093|4.697376|2.302294|2.074368|3.757473|3.336055|3.422509|0.081740|5.666133|5.644774|8.945405|17.716034|8.905909|5.654280|4.950769|3.576898|3.076596|3.478847|2.405816|3.514470|4.272366|13.993095|1.862728|1.623486|1.529727|1.376954|1.312035|1.368927|1.518755|5.689070|0.090514|0.124147|0.090232|0.111987|0.074972|0.068718|0.066176|0.058921|0.114945|0.215670|0.500000| |3.273171|5.068902|2.844426|3.204467|2.926895|2.481017|2.297500|2.418490|3.897707|1.918572|1.751565|3.195081|2.835544|3.093660|0.074381|4.919030|4.934583|5.639419|8.898626|17.722362|8.922536|5.635841|4.113650|3.278738|3.743773|2.702168|4.153367|5.233417|15.458653|2.120425|1.817752|1.679374|1.499734|1.437574|1.520505|1.708649|5.658869|0.088440|0.110593|0.083808|0.102567|0.063751|0.057114|0.053796|0.050284|0.092580|0.124015|0.214264|0.500000| |3.122887|4.865057|2.829438|3.379228|3.198829|2.620522|2.331504|2.391854|3.764629|1.856082|1.669664|3.008611|2.717092|3.667085|0.087656|5.713982|5.643094|4.959469|5.651654|8.907919|17.737442|8.956871|7.074623|4.784858|5.323221|3.996551|6.665430|9.638180|21.124080|2.899290|2.364420|2.119977|1.844573|1.760676|1.891940|2.192680|7.404400|0.090602|0.100088|0.077745|0.111894|0.068189|0.057612|0.051552|0.049794|0.099546|0.107632|0.124095|0.214485|0.500000| |1.765193|3.013583|1.819071|2.089620|2.228025|2.005448|1.758513|1.685865|2.691503|1.404902|1.268973|2.221666|2.139767|2.670059|0.075251|3.704324|2.658129|2.261281|2.155475|2.348404|2.802120|3.055462|3.883006|3.794744|6.172928|6.514843|9.541260|6.626600|56.435787|17.645637|8.851836|7.114962|4.715811|3.969615|4.206597|5.653935|5.375062|0.052170|0.050978|0.045151|0.061600|0.056681|0.045645|0.039093|0.039363|0.068176|0.057469|0.053589|0.060888|0.083117|0.500000| |1.851539|3.111288|1.852741|2.122182|2.204815|1.961718|1.738829|1.694480|2.716387|1.406356|1.276217|2.251158|2.140733|2.585615|0.071158|3.501236|2.576950|2.205136|2.137090|2.373546|2.857552|3.033942|3.858661|3.784245|6.162033|6.496563|9.526658|6.589534|56.440151|17.646430|8.852684|5.657591|4.208212|3.969875|4.714256|7.109134|5.400424|0.055525|0.053172|0.047533|0.063594|0.054483|0.044865|0.038760|0.039387|0.063823|0.055620|0.053139|0.062221|0.087368|0.303440|0.500000| |1.487710|2.586835|1.562043|1.753690|1.888637|1.761496|1.564374|1.483850|2.395788|1.273122|1.156851|2.011998|1.972996|2.198361|0.063867|2.996104|2.091735|1.831739|1.734808|1.832675|2.092320|2.273693|2.712712|2.784200|4.455451|3.972751|5.177235|4.178616|37.940648|7.017668|8.917498|17.704009|8.925849|5.646878|4.959516|5.656551|4.240574|0.043601|0.042422|0.038415|0.050419|0.050667|0.041358|0.035508|0.035969|0.056994|0.047869|0.044052|0.047929|0.060332|0.213647|0.143703|0.500000| |1.274968|2.225547|1.329806|1.462256|1.556375|1.477397|1.338861|1.276634|2.090720|1.122037|1.031004|1.794575|1.770039|1.751558|0.050772|2.358498|1.656382|1.486549|1.421103|1.489669|1.660125|1.769806|2.033251|2.098861|3.262599|2.726344|3.550963|3.030553|24.733526|4.093445|5.631905|8.926501|17.711805|8.910101|5.650054|4.960108|3.335330|0.037263|0.036019|0.033299|0.041723|0.042421|0.035781|0.031194|0.031816|0.045562|0.039322|0.036635|0.039468|0.047749|0.111965|0.096986|0.215717|0.500000| 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