Version2.4 2021-06-07T06:52:28Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 07-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CN(C)c1ccc(cc1)[C@H]2C(=C(C(=O)N2c3nc4ccc(cc4s3)OC)[O-])C(=O)c5ccc(cc5)Cl C33537272 RHF 6-31G(d) (6D,7F) CN(C)c1ccc(cc1)[C@H]2C(=C(C(=O)N2c3nc4ccc(cc4s3)OC)[O-])C(=O)c5ccc(cc5)Cl C01[X(C27H21Cl1N3O4S1)] 165 C1 590 COc1ccc2c(c1)sc(n2)N1[C@@H](c2ccc(cc2)N(C)C)C(=C(C1=O)[O-])C(=O)c1ccc(cc1)Cl COc1ccc2c(c1)sc(n2)N1[C@@H](c2ccc(cc2)N(C)C)C(=C(C1=O)[O-])C(=O)c1ccc(cc1)Cl COc1ccc2nc(sc2c1)N3[C@@H](c4ccc(cc4)N(C)C)C(=C([O-])C3=O)C(=O)c5ccc(Cl)cc5 InChIKey=SYVJLHPZACILCM-QHCPKHFHSA-M InChI=1S/C27H22ClN3O4S/c1-30(2)18-10-6-15(7-11-18)23-22(24(32)16-4-8-17(28)9-5-16)25(33)26(34)31(23)27-29-20-13-12-19(35-3)14-21(20)36-27/h4-14,23,33H,1-3H3/p-1/t23-/m0/s1 InChI=1/C27H22ClN3O4S/c1-30(2)18-10-6-15(7-11-18)23-22(24(32)16-4-8-17(28)9-5-16)25(33)26(34)31(23)27-29-20-13-12-19(35-3)14-21(20)36-27/h4-14,23,33H,1-3H3/p-1/t23-/m0/s1/fC27H21ClN3O4S/h33h/q-1 CN(C)c1ccc(cc1)[C@H]2C(=C(C(=O)N2c3nc4ccc(cc4s3)OC)[O-])C(=O)c5ccc(cc5)Cl C01[X(C27H21Cl1N3O4S1)] 165 C01 590 COc1ccc2c(c1)sc(n2)N1[C@@H](c2ccc(cc2)N(C)C)C(=C(C1=O)[O-])C(=O)c1ccc(cc1)Cl CO[C]1[CH][CH][C]2[C]([CH]1)SC(=N2)N1C(=O)[C]([C]([C](=O)[C]2[CH][CH][C]([CH][CH]2)Cl)[C@@H]1[C]1[CH][CH][C]([CH][CH]1)N(C)C)=O CO[C]1[CH][CH][C]2N=C(S[C]2[CH]1)N3[C@@H]([C]4[CH][CH][C]([CH][CH]4)N(C)C)[C](C(=O)[C]5[CH][CH][C](Cl)[CH][CH]5)C(=O)C3=O InChIKey=PCPUGNPIYHFZGK-QHCPKHFHSA-N InChI=1S/C27H21ClN3O4S/c1-30(2)18-10-6-15(7-11-18)23-22(24(32)16-4-8-17(28)9-5-16)25(33)26(34)31(23)27-29-20-13-12-19(35-3)14-21(20)36-27/h4-14,23H,1-3H3/t23-/m0/s1 InChI=1/C27H21ClN3O4S/c1-30(2)18-10-6-15(7-11-18)23-22(24(32)16-4-8-17(28)9-5-16)25(33)26(34)31(23)27-29-20-13-12-19(35-3)14-21(20)36-27/h4-14,23H,1-3H3/t23-/m0/s1 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1561.3240 1584.0567 1584.9778 1595.4488 1623.8518 1624.3967 1634.3981 1647.9135 1650.7322 1652.5504 1653.7095 1664.8083 1666.1675 1670.0361 1694.7906 1736.2627 1763.3922 1767.8903 1773.6074 1799.8232 1813.8030 1818.2120 1821.4104 1945.8421 1999.5749 3132.5522 3142.2548 3198.0672 3230.9340 3239.1994 3255.7703 3271.6380 3292.9077 3309.2652 3309.9040 3360.6664 3367.7703 3377.4835 3380.7311 3384.2784 3384.3592 3387.7466 3389.3439 3395.7238 3402.7376 3404.0569 7.3880 6.0420 7.1042 3.4346 4.8866 5.3438 3.7839 3.4474 4.9698 7.5803 7.6907 8.0512 7.2638 6.8296 7.7322 4.3759 7.5502 3.9766 2.5961 7.2528 4.4650 4.4651 2.3921 1.9612 6.8473 2.4174 2.9241 3.7978 1.1579 4.8157 5.9762 5.5145 8.2335 11.0008 4.1557 4.4082 5.6560 3.6090 3.0656 4.9609 3.3895 6.1552 4.5458 6.7489 5.7080 7.8532 9.0839 4.6700 4.3532 5.3194 2.8249 3.7482 6.9744 7.0011 7.5675 8.5976 7.4559 5.6462 5.7357 5.4209 4.8117 4.6261 6.4160 4.4988 4.3068 5.9085 6.4644 6.5776 1.4946 4.1273 1.4693 3.3267 1.2713 1.9872 2.0404 1.4674 7.6973 3.1951 1.3403 1.4297 1.4120 1.3789 1.4267 4.0681 2.7798 4.3100 2.2332 1.5248 2.6486 3.1329 2.6396 2.6197 5.2291 1.2514 2.2803 2.4720 3.0002 3.4427 2.4458 2.3414 1.2680 1.4928 1.1706 1.2159 2.5758 1.8158 4.1651 2.9532 2.8266 2.4138 2.4433 4.8525 2.2836 1.3567 2.0268 2.8583 1.6960 1.8860 2.7944 6.7515 3.1876 1.9594 1.3499 1.2114 1.4498 1.0489 1.0571 1.0502 1.9933 1.0628 1.0867 2.3401 1.0731 2.3327 11.5727 6.8066 6.1564 5.9345 5.5104 11.3876 6.9272 5.5120 12.8362 13.0387 1.0579 1.0599 1.0345 1.0811 1.0799 1.1069 1.0855 1.1003 1.0976 1.1011 1.0891 1.0885 1.0893 1.0898 1.0913 1.0936 1.0947 1.0928 1.0958 1.0941 1.0955 0.0009 0.0011 0.0029 0.0014 0.0034 0.0062 0.0050 0.0070 0.0119 0.0228 0.0259 0.0394 0.0519 0.0497 0.0819 0.0674 0.1420 0.0899 0.0713 0.2184 0.1364 0.1514 0.0845 0.0831 0.3088 0.1207 0.1562 0.2127 0.0681 0.3154 0.4012 0.4090 0.6802 0.9452 0.4449 0.4902 0.6921 0.4527 0.3865 0.6677 0.4794 0.8794 0.6598 1.0435 0.9498 1.4202 1.7426 1.0131 0.9711 1.2114 0.6696 0.9853 1.9560 2.0132 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1.9802 1.8500 1.1337 7.6122 3.7095 3.2988 1.3736 0.7080 0.6784 4.0217 6.1733 23.4470 1.6000 25.4597 3.4494 4.6837 15.1331 23.7193 3.9467 9.2403 15.5700 5.2553 0.6646 0.0579 14.5822 10.3036 15.5357 25.8152 12.5726 5.7178 8.1210 0.0940 6.1604 11.6372 42.6325 97.2079 21.4370 25.1858 31.5805 23.5086 4.2512 6.4168 0.4754 40.4918 13.2938 33.0734 11.3623 35.6179 0.6937 1.0367 1.5369 1.3829 10.6731 59.1445 5.3018 16.4958 4.6618 10.5281 29.0103 21.1255 37.3247 13.1915 110.7671 7.2962 11.4843 72.4172 110.8768 11.9463 40.9198 5.8622 2.8337 16.3754 1.7075 4.6141 30.6840 121.3156 125.0701 19.9888 25.3218 69.7518 589.0681 76.4960 208.7057 27.1385 307.5402 55.7387 153.8467 483.1163 48.6767 628.2782 54.6468 7.4594 5.6180 25.8396 160.6191 8.1161 21.7773 3.4741 190.6635 5.7321 2.4608 14.5928 0.6943 77.8737 470.0654 4.5902 17.8724 15.0527 19.4582 500.1543 130.0997 23.1202 842.8853 442.0141 32.4717 131.8553 68.9736 16.9684 146.3041 65.0264 24.3441 37.5260 32.2767 66.4984 22.2198 13.6107 8.5226 11.8575 5.4828 17.6888 11.6279 7.2898 12.5449 23.5182 6.9684 1.1625 2.9963 3.5089 2.3077 3.4657 3.8342 1.2114 5.4295 4.6164 1.2539 1.2168 1.2562 0.6476 1.0342 2.0668 0.6697 1.5100 0.8026 2.1657 1.6025 1.1075 2.6785 1.9382 2.4176 3.2102 1.8214 0.2421 1.8361 0.1916 1.2917 0.8533 0.3351 1.9457 3.0834 2.0809 1.6088 0.7688 1.6196 0.7397 2.8358 0.4323 1.6055 0.9930 2.3266 1.6443 5.8750 1.4181 1.7983 3.8468 5.7802 1.4053 0.5075 4.5122 4.9435 1.6690 3.1477 1.1906 8.4391 12.1448 1.4172 14.1548 3.1438 1.7968 4.1183 3.4168 8.7438 23.2191 1.7036 1.1265 9.0808 3.5254 10.1922 2.5486 1.0713 1.8251 2.1546 10.5669 5.8940 1.6147 1.7588 1.8559 0.4100 0.5314 1.0544 0.3338 2.3889 0.5603 8.4056 2.6115 2.4502 11.3224 3.0776 3.0527 5.8224 0.6958 5.5832 6.9126 6.4729 9.4065 31.0568 4.8305 3.1273 5.3351 2.2900 11.6496 12.6940 24.7408 5.5590 43.8502 30.7440 56.2434 81.9996 8.7245 7.0855 10.5427 14.0242 7.2615 11.1265 7.9435 25.8671 7.3155 15.7349 5.3380 2.1836 43.2113 22.8189 11.6718 29.8667 45.8350 3.3348 25.3602 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0.8509 0.1741 0.2702 0.6550 0.7987 0.7800 0.8242 0.2049 0.4192 0.3094 0.2833 0.3131 0.7555 0.5709 0.3384 0.3588 0.3579 0.2902 0.4046 0.8571 0.7000 0.2971 0.7030 0.1657 0.5787 0.2473 0.5965 0.1690 0.4847 0.4814 0.4187 0.6056 0.4084 0.6335 0.3520 0.6157 0.8569 0.5463 0.7409 0.3732 0.7575 0.8564 0.4588 0.6109 0.8571 0.8462 0.8531 0.5304 0.8570 0.7082 0.1403 0.7657 0.4460 0.4441 0.6955 0.6190 0.5832 0.6209 0.7175 0.4839 0.6104 0.4158 0.2411 0.6318 0.2056 0.0452 0.5503 0.4740 0.8570 0.2343 0.8528 0.8452 0.6426 0.6359 0.8519 0.8395 0.8488 0.4818 0.7010 0.2341 0.4801 0.2553 0.3010 0.2730 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 6 7 6 6 6 6 6 6 6 6 1 6 6 6 8 7 6 7 6 6 6 6 6 6 16 8 6 8 6 8 6 6 6 6 6 6 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 15.99491 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 15243.8324 31336.8060 34161.3948 0.99976 -0.00654 0.02110 0.00480 0.99668 0.08122 -0.02156 -0.08110 0.99647 1 0.00568 0.00276 0.00254 0.11839 0.05759 0.05283 20.51 25.09 37.59 38.51 49.73 63.67 68.40 84.73 91.68 102.77 108.76 131.14 158.42 159.97 192.89 232.61 257.02 281.86 310.73 325.25 327.67 345.21 352.33 385.77 398.06 418.87 433.20 443.57 454.66 479.68 485.65 510.49 538.77 549.45 613.31 625.06 655.69 663.86 665.58 687.68 704.96 708.51 714.14 737.06 764.61 797.11 820.96 873.02 885.33 894.49 912.58 961.02 992.65 1005.15 1017.05 1025.45 1064.00 1090.99 1107.82 1134.04 1153.29 1167.36 1188.20 1204.66 1234.71 1258.25 1279.44 1303.75 1320.62 1323.49 1344.40 1349.99 1357.97 1382.00 1386.03 1407.06 1454.92 1504.47 1525.71 1540.48 1563.69 1580.37 1587.58 1592.36 1602.05 1619.37 1665.06 1681.09 1704.36 1717.80 1721.94 1731.57 1741.93 1762.91 1771.46 1817.76 1830.75 1841.50 1844.77 1852.70 1862.56 1864.14 1866.52 1885.14 1888.85 1916.57 1922.01 1960.87 1965.43 1973.27 2042.84 2062.73 2066.58 2075.66 2079.77 2131.46 2155.55 2192.86 2223.01 2246.40 2279.10 2280.43 2295.49 2336.36 2337.14 2351.53 2370.98 2375.04 2377.65 2379.32 2395.29 2397.24 2402.81 2438.43 2498.09 2537.13 2543.60 2551.83 2589.54 2609.66 2616.00 2620.60 2799.63 2876.94 4507.04 4521.00 4601.31 4648.59 4660.49 4684.33 4707.16 4737.76 4761.29 4762.21 4835.25 4845.47 4859.45 4864.12 4869.22 4869.34 4874.21 4876.51 4885.69 4895.78 4897.68 0.461896 0.491772 0.492716 0.396449 -2354.033239 -2354.003363 -2354.002419 -2354.098686 3.228811D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE CN(C)c1ccc(cc1)[C@H]2C(=C(C(=O)N2c3nc4ccc(cc4s3)OC)[O-])C(=O)c5ccc(cc5)Cl C33537272 RHF 6-31G(d) (6D,10F) C1 518.094131 |X|Y|Z| 115.763248 70.974578 59.135383 78.615283 27 6 7 16 24 2 1 |36.858105| |13.197674|53.358707| |7.941144|17.877373|36.858105| |7.809348|18.200489|7.889942|36.858105| |6.611805|10.477116|5.533961|13.757070|36.858105| |4.477263|6.935986|4.125926|7.903598|13.693165|36.858105| |3.746579|6.113162|3.808766|6.760376|7.873423|13.798130|36.858105| |3.947833|7.013212|4.401804|7.892819|6.910057|8.024235|13.663355|36.858105| |5.175847|10.700567|6.214123|13.647180|7.989670|6.931766|7.889862|13.829215|36.858105| |2.894454|4.493486|2.938811|4.382454|4.980389|7.512920|12.458321|7.477838|4.987582|36.858105| |2.794401|4.187430|2.740567|3.982220|4.806291|7.400595|8.977609|5.597937|4.199644|17.627086|0.500000| |2.530044|3.969650|2.732977|3.691866|3.922922|5.151472|7.422766|6.180670|4.332332|12.520045|0.240708|36.858105| |2.262295|3.528844|2.437232|3.169354|3.234146|3.986276|5.452869|5.180809|3.792578|7.871451|0.165598|13.529237|36.858105| |2.306586|3.546790|2.371500|3.191534|3.282569|4.073875|5.529670|5.141011|3.786796|7.995503|0.170209|8.110376|12.387391|36.858105| |2.103289|3.193199|2.141501|2.786127|2.820047|3.348371|4.247016|4.140230|3.261384|5.407183|0.126587|5.429034|7.737687|15.964300|73.516695| |2.627480|4.015140|2.602133|3.750098|4.047304|5.414621|7.685441|6.113318|4.338524|12.900311|0.255687|8.169146|8.094005|13.805042|14.872598|53.358707| |2.627291|3.884473|2.460734|3.546069|3.900559|5.030745|6.093241|4.964371|3.890746|7.666295|0.198319|5.230580|5.181206|7.831784|11.930383|18.994288|36.858105| |2.832545|4.062810|2.524840|3.712598|4.338047|5.691806|5.991431|4.606480|3.813884|6.708108|0.200667|4.477026|4.113506|5.306957|8.251353|11.196249|14.954437|53.358707| |2.626844|3.652528|2.272546|3.177620|3.604110|4.277507|4.288263|3.618583|3.196837|4.521024|0.132716|3.402058|3.263036|4.126516|6.981248|7.406489|8.682621|18.744243|36.858105| |2.624012|3.513678|2.184044|2.966907|3.418863|3.864074|3.615424|3.093068|2.859740|3.646852|0.109653|2.851500|2.690669|3.205048|5.435994|5.457354|5.416196|10.537972|13.766455|36.858105| |2.332381|3.089404|1.946487|2.523357|2.807455|3.046496|2.898732|2.588536|2.444663|2.919151|0.085794|2.394840|2.313845|2.728748|4.779233|4.395774|4.159706|7.004180|7.944753|13.746599|36.858105| |2.119993|2.854500|1.817616|2.316695|2.499894|2.706044|2.675072|2.453251|2.304396|2.736132|0.078425|2.297086|2.284864|2.743277|4.971394|4.274846|4.052777|6.235203|6.853142|7.902664|13.673022|36.858105| |2.118389|2.923224|1.865330|2.408855|2.564565|2.830751|2.909756|2.687284|2.466277|3.046399|0.085497|2.553174|2.601902|3.252582|6.064473|5.028798|4.981032|7.120921|7.851169|6.817124|7.897021|13.737614|36.858105| |2.333363|3.278860|2.073031|2.789292|3.010933|3.456774|3.641543|3.268140|2.897082|3.907709|0.109183|3.130361|3.174897|4.163707|7.600960|6.844196|7.787182|11.035192|13.652564|7.956407|6.923600|8.007137|13.793306|36.858105| |2.260976|3.294412|2.116723|2.849202|2.986074|3.505566|4.027606|3.711020|3.126300|4.609253|0.120359|3.785980|4.116437|6.127831|12.243619|9.445813|10.728337|9.971747|7.403723|4.889815|4.248631|4.686934|6.737164|10.892926|388.023441| |1.899370|2.541593|1.639192|2.020735|2.147334|2.278716|2.254150|2.108104|2.008909|2.294279|0.065334|1.982175|1.987227|2.337089|4.284058|3.526089|3.179055|4.703373|4.604722|5.177525|7.836855|14.015930|8.200447|5.307445|26.301582|73.516695| |1.837857|2.418945|1.566858|1.896442|2.023885|2.115033|2.052309|1.918971|1.854907|2.064183|0.059263|1.796332|1.779372|2.043490|3.694021|3.080283|2.700396|4.056057|3.797174|4.522733|6.738134|8.008715|5.270813|4.005487|21.128281|24.301192|36.858105| |2.027535|3.147281|2.219711|2.736262|2.735887|3.220565|4.133589|4.147063|3.246124|5.267087|0.121387|7.881399|15.774683|8.018142|11.795295|7.460344|4.020364|4.492173|2.752592|2.323155|2.047422|2.046171|2.319355|2.743114|24.933157|3.221508|1.630141|73.516695| |2.465558|3.869101|2.771118|3.511399|3.718117|4.627239|5.868671|5.173526|3.982110|7.293964|0.176293|13.301431|7.592303|5.089747|6.962617|6.964843|3.824551|4.783192|2.802362|2.455583|2.096600|1.995705|2.165918|2.569002|21.009224|3.111861|1.613058|10.988324|36.858105| |2.245929|3.525786|2.598945|3.083166|3.144294|3.674076|4.464387|4.314342|3.514833|5.114020|0.126119|8.082350|6.461757|4.323595|6.261772|5.547198|3.176744|3.959497|2.406699|2.134751|1.860965|1.791016|1.940452|2.256676|18.470003|2.831469|1.473253|11.095495|15.726045|73.516695| |2.604507|4.001176|2.878231|3.617904|4.060155|5.073066|5.600794|4.604793|3.800466|6.243288|0.176493|7.495793|4.936740|3.933179|5.626230|5.840130|3.474768|4.648045|2.744832|2.482815|2.105324|1.961225|2.079807|2.442212|18.978161|3.059199|1.607403|7.421601|12.506134|14.608216|36.858105| |2.734617|4.227117|3.175572|3.713119|4.061922|4.619407|4.756719|4.242507|3.784724|4.630453|0.127831|5.192920|3.852218|3.186602|4.732706|4.672155|2.901813|3.943164|2.406125|2.227473|1.917125|1.783637|1.868885|2.153708|16.427257|2.813163|1.493270|6.094492|7.592558|11.800696|13.700319|36.858105| |2.707684|4.028707|3.047388|3.409639|3.835809|4.163664|3.937248|3.492513|3.279760|3.764286|0.108924|3.916252|3.071080|2.673139|4.071733|3.968466|2.576581|3.605739|2.251525|2.140231|1.853604|1.706706|1.759133|1.999580|14.824809|2.707485|1.454237|4.926866|5.020224|8.073540|7.887254|13.780165|36.858105| |2.549433|3.668511|2.684300|3.098943|3.629339|4.055527|3.707012|3.154531|2.932767|3.688060|0.113155|3.678608|2.908795|2.603150|3.985834|3.930689|2.610853|3.738065|2.343833|2.258650|1.946618|1.772365|1.810019|2.054208|14.957540|2.804726|1.513824|4.630365|4.436040|6.914307|6.869311|7.992397|13.767706|36.858105| |2.433617|3.502254|2.487840|3.025936|3.605247|4.317212|4.034112|3.273144|2.922952|4.327206|0.141603|4.249137|3.282077|2.949201|4.456458|4.524409|2.987613|4.297224|2.641253|2.516312|2.137567|1.940048|1.992512|2.290340|16.730748|3.039895|1.629135|5.116423|4.977042|7.337844|7.882216|6.880488|7.913943|13.809907|36.858105| |2.461421|3.644121|2.565579|3.246565|3.809488|4.858494|4.956987|3.883809|3.277908|5.846008|0.193680|6.070284|4.300539|3.692961|5.374342|5.675652|3.537573|4.913982|2.904780|2.664471|2.238607|2.056934|2.158182|2.533437|19.165638|3.193857|1.685580|6.468161|7.462928|9.810873|13.732439|7.980246|6.881919|7.992017|13.729475|36.858105| |2.360389|3.271139|2.412437|2.641452|3.053566|3.220594|2.882031|2.532191|2.441994|2.821528|0.085912|2.760247|2.301000|2.123025|3.339157|3.180014|2.188040|3.173505|2.063160|2.045169|1.796736|1.628872|1.635720|1.818079|12.941364|2.610149|1.429817|3.737358|3.149494|5.121690|4.207469|4.763880|7.015491|10.857977|7.021678|4.761355|448.794386| |17.428407|12.154643|7.012178|6.629790|6.523523|4.451768|3.596460|3.628466|4.502283|2.826334|0.077392|2.482808|2.189503|2.205091|3.555709|3.424441|2.504280|3.715361|2.520171|2.549845|2.258707|2.031545|2.013459|2.215022|15.184986|3.240631|1.778214|3.490887|2.465706|3.985061|2.680714|2.863222|2.923099|2.771097|2.595572|2.562004|20.998544|0.500000| |17.600063|12.474201|5.710847|7.236468|6.746604|4.680166|3.854313|3.955271|4.985306|2.988681|0.080732|2.544747|2.289471|2.389922|3.892967|3.766025|2.845047|4.262825|2.953240|2.992305|2.648396|2.378344|2.354824|2.591886|17.434803|3.757069|2.045164|3.620364|2.423577|3.885023|2.542298|2.597403|2.558557|2.462809|2.405964|2.446052|18.280942|0.299943|0.500000| |17.552159|12.539618|7.242660|5.708610|4.824208|3.582278|3.136099|3.356940|4.303605|2.511148|0.067238|2.243564|2.042596|2.080389|3.419222|3.162364|2.327974|3.371835|2.340081|2.347428|2.133904|1.963844|1.957048|2.120754|14.634910|3.174466|1.738218|3.301766|2.196270|3.616022|2.294933|2.417583|2.400926|2.259098|2.150796|2.169337|17.064951|0.301168|0.301443|0.500000| |7.266034|12.464576|17.549974|5.724325|4.356063|3.393636|3.166767|3.609726|4.820609|2.536319|0.066215|2.377537|2.163963|2.122876|3.462735|3.132475|2.206075|3.077681|2.077205|2.015923|1.825845|1.714891|1.750158|1.917002|13.822043|2.778984|1.503055|3.550376|2.401184|4.056873|2.475368|2.707524|2.632450|2.355500|2.190518|2.240490|17.411641|0.175176|0.146788|0.221975|0.500000| |5.711112|12.412775|17.626373|7.305104|5.043655|4.029547|3.955296|4.845064|6.956314|3.063196|0.077604|2.927782|2.627653|2.513642|4.021691|3.687202|2.505343|3.419521|2.238327|2.113872|1.883821|1.778748|1.848786|2.066053|15.348549|2.851485|1.521340|4.283198|2.989127|5.058070|3.020820|3.343900|3.098393|2.672201|2.488484|2.620221|18.872044|0.142141|0.127487|0.147061|0.301700|0.500000| |6.999097|12.204002|17.429209|6.771915|5.485199|4.124314|3.691083|4.041665|5.254867|2.893397|0.076363|2.710503|2.375578|2.279602|3.637209|3.413896|2.362129|3.330605|2.192789|2.125367|1.888302|1.749726|1.784477|1.982245|14.316310|2.806844|1.517693|3.847467|2.821633|4.702102|3.034596|3.465007|3.434311|2.981718|2.684675|2.709440|21.722850|0.204713|0.142459|0.172631|0.299796|0.300846|0.500000| |7.329886|9.492960|5.192468|8.893609|17.732594|8.949188|5.639052|4.972930|5.654095|4.084691|0.114888|3.317083|2.782578|2.826979|4.404008|4.659241|3.399999|5.280327|3.366292|3.348508|2.781588|2.434218|2.436314|2.796330|19.099858|3.748700|2.021694|4.264664|3.216373|4.924810|3.614446|3.693776|3.697507|3.608211|3.515584|3.527348|25.560905|0.228654|0.210438|0.144108|0.118073|0.124436|0.150596|0.500000| |3.899313|5.634352|3.475572|5.644511|8.939636|17.723807|8.962242|5.681189|4.983142|6.990326|0.228723|4.806009|3.723824|3.830044|5.652250|6.966363|4.968967|8.233793|4.521769|4.211909|3.238495|2.803512|2.882695|3.514265|24.462112|4.169558|2.192788|5.387562|4.380588|6.158880|5.081373|4.488398|4.241048|4.437279|4.966237|5.403009|28.353049|0.111655|0.114664|0.088652|0.081886|0.093171|0.098920|0.217705|0.500000| |3.307220|5.706166|3.780805|5.635229|4.971841|5.683187|8.904105|17.722670|8.978885|6.948620|0.140450|6.660687|6.195384|5.966819|8.492113|8.593827|4.845619|5.720011|3.369047|2.840395|2.424482|2.351873|2.622790|3.175400|27.040959|3.624625|1.842144|8.862389|5.338431|8.243950|4.333974|3.929138|3.184557|2.870510|2.999040|3.609647|18.603720|0.084700|0.091795|0.080977|0.089190|0.118652|0.096387|0.107872|0.124574|0.500000| |4.779511|9.914346|6.369427|8.917534|5.672672|4.982305|5.626315|8.945718|17.711324|4.073814|0.096412|3.758846|3.463194|3.440287|5.440126|5.086187|3.384110|4.428755|2.823485|2.543605|2.230070|2.137650|2.292838|2.639452|20.432387|3.362946|1.748991|5.470178|3.511852|5.756839|3.281777|3.320646|2.901579|2.582704|2.551238|2.833130|17.615894|0.113056|0.125074|0.117396|0.143441|0.217692|0.140447|0.124188|0.108035|0.216801|0.500000| |2.808610|3.694236|2.287717|3.125383|3.743506|4.221460|3.730354|3.118749|2.918315|3.675384|0.113752|2.855748|2.619221|3.018088|5.000634|5.169651|4.817375|9.516056|8.944171|17.729154|8.895037|5.624589|4.923841|5.653896|28.831018|7.418427|3.911290|4.011925|2.508181|3.852168|2.607917|2.355277|2.298254|2.459077|2.740364|2.841969|18.011531|0.077197|0.089337|0.068965|0.058369|0.060811|0.062572|0.104928|0.133710|0.077934|0.071207|0.500000| |2.265900|2.945856|1.866897|2.363008|2.632897|2.794207|2.608249|2.344628|2.252684|2.594186|0.076607|2.164034|2.076270|2.388398|4.165006|3.790355|3.428578|5.665899|5.665505|8.971647|17.758439|8.861795|5.623848|4.981508|24.391569|12.493614|7.500377|3.296744|1.931636|3.068643|1.964778|1.811112|1.774111|1.872774|2.038425|2.096756|14.119968|0.061531|0.071468|0.057994|0.048981|0.049800|0.050604|0.074062|0.083035|0.060792|0.057367|0.215997|0.500000| |1.944513|2.698517|1.742405|2.198506|2.297153|2.508247|2.615861|2.472024|2.278115|2.748876|0.076035|2.374583|2.471621|3.077577|5.926562|4.549086|4.281547|5.756388|5.588205|4.924618|5.637407|8.949867|17.736614|8.840045|43.919003|13.471164|4.876266|3.989697|2.025625|3.268602|1.924581|1.737522|1.631386|1.668068|1.825381|1.979303|12.135079|0.051216|0.059435|0.050423|0.045700|0.048267|0.046184|0.060505|0.070151|0.068218|0.059758|0.107058|0.123998|0.500000| |1.687616|2.226812|1.455510|1.731213|1.827354|1.898530|1.856113|1.754825|1.702353|1.869327|0.053318|1.651235|1.647755|1.879299|3.424414|2.785763|2.398293|3.520187|3.184014|3.619864|4.905437|5.869253|4.419373|3.421224|18.978283|17.021704|17.625806|2.709680|1.491221|2.440491|1.480396|1.381254|1.345326|1.395316|1.494355|1.544876|10.619422|0.045329|0.051738|0.044710|0.038995|0.039368|0.039138|0.050640|0.054311|0.047147|0.044980|0.088956|0.146440|0.121260|0.500000| |1.971556|2.562198|1.646955|1.992260|2.125204|2.187363|2.094930|1.966638|1.926039|2.066876|0.059186|1.788915|1.757562|2.006086|3.592614|3.047713|2.658761|4.043646|3.752166|4.595431|6.749824|7.035121|4.774413|3.815948|20.282158|16.447515|17.544254|2.854554|1.613224|2.616921|1.616429|1.512506|1.478220|1.534932|1.639750|1.688266|11.680187|0.052841|0.061576|0.051904|0.044025|0.044108|0.044214|0.059453|0.062757|0.051998|0.050435|0.113201|0.225612|0.120060|0.300016|0.500000| |1.791192|2.353022|1.531239|1.851769|2.000054|2.106061|2.029155|1.873947|1.802265|2.059896|0.059942|1.793200|1.764011|2.011077|3.607121|3.042529|2.654658|4.038802|3.746054|4.590377|6.745668|7.022808|4.764174|3.807744|20.253133|16.446224|17.543544|2.869730|1.617765|2.620991|1.625093|1.506018|1.474912|1.549348|1.676189|1.722949|11.808318|0.048632|0.055103|0.046872|0.040681|0.041252|0.041510|0.055839|0.061512|0.049826|0.046940|0.113126|0.226073|0.119818|0.300051|0.299226|0.500000| |2.746309|4.356347|3.386248|3.768063|3.882067|4.220869|4.505064|4.355175|3.968784|4.241576|0.111406|4.918207|3.812416|3.108039|4.660031|4.432905|2.740942|3.659852|2.258059|2.082386|1.810709|1.701393|1.790947|2.053040|15.830501|2.698617|1.430332|6.193187|7.129270|12.616547|8.954443|17.743418|8.932302|5.670015|4.958299|5.675047|31.546097|0.078829|0.071426|0.068129|0.079895|0.102384|0.102134|0.096701|0.108926|0.114857|0.099265|0.060516|0.047488|0.046595|0.036911|0.040301|0.039832|0.500000| 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