Version2.3 2021-04-01T00:36:10Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 27-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCn1c(nnc1SCc2ccc(cc2)[N+](=O)[O-])[C@@H]3CCCN3C(=O)c4ccc(cc4)C C20294257 RHF 6-31G(d) (6D,7F) CCn1c(nnc1SCc2ccc(cc2)[N+](=O)[O-])[C@@H]3CCCN3C(=O)c4ccc(cc4)C C01[X(C23H25N5O3S1)] 165 C1 534 CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1[C@@H]1CCCN1C(=O)c1ccc(cc1)C CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1[C@@H]1CCCN1C(=O)c1ccc(cc1)C CCn1c(SCc2ccc(cc2)[N+]([O-])=O)nnc1[C@@H]3CCCN3C(=O)c4ccc(C)cc4 InChIKey=DAJKDJXNWRFCDD-FQEVSTJZSA-N InChI=1S/C23H25N5O3S/c1-3-26-21(20-5-4-14-27(20)22(29)18-10-6-16(2)7-11-18)24-25-23(26)32-15-17-8-12-19(13-9-17)28(30)31/h6-13,20H,3-5,14-15H2,1-2H3/t20-/m0/s1 InChI=1/C23H25N5O3S/c1-3-26-21(20-5-4-14-27(20)22(29)18-10-6-16(2)7-11-18)24-25-23(26)32-15-17-8-12-19(13-9-17)28(30)31/h6-13,20H,3-5,14-15H2,1-2H3/t20-/m0/s1 CCn1c(nnc1SCc2ccc(cc2)[N+](=O)[O-])[C@@H]3CCCN3C(=O)c4ccc(cc4)C C01[X(C23H25N5O3S1)] 165 C01 534 CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1[C@@H]1CCCN1C(=O)c1ccc(cc1)C CC[N]1[C]([N][N][C]1[C@@H]1CCCN1C(=O)[C]1[CH][CH][C]([CH][CH]1)C)SC[C]1[CH][CH][C]([CH][CH]1)[N]([O])[O] CCN1[C]([N][N][C]1[C@@H]2CCCN2C(=O)[C]3[CH][CH][C](C)[CH][CH]3)SC[C]4[CH][CH][C]([CH][CH]4)N([O])[O] InChIKey=DAJKDJXNWRFCDD-FQEVSTJZSA-N InChI=1S/C23H25N5O3S/c1-3-26-21(20-5-4-14-27(20)22(29)18-10-6-16(2)7-11-18)24-25-23(26)32-15-17-8-12-19(13-9-17)28(30)31/h6-13,20H,3-5,14-15H2,1-2H3/t20-/m0/s1 InChI=1/C23H25N5O3S/c1-3-26-21(20-5-4-14-27(20)22(29)18-10-6-16(2)7-11-18)24-25-23(26)32-15-17-8-12-19(13-9-17)28(30)31/h6-13,20H,3-5,14-15H2,1-2H3/t20-/m0/s1 3161.3540695903 -1779.7666681 1-A 26058.4727 119 415 534 |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| -91.96787 -20.59931 -20.59923 -20.52941 -15.85418 -15.63091 -15.59315 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1576.7979 1607.4084 1631.1718 1631.8925 1634.1284 1637.7512 1638.4593 1640.7997 1641.9480 1651.0619 1672.0654 1675.9131 1679.6280 1688.4231 1694.4973 1750.8107 1765.8040 1773.0460 1808.8030 1821.8758 1866.1526 1890.1226 3205.1978 3210.7597 3219.9763 3228.3151 3250.7050 3259.8207 3266.3356 3272.6472 3278.2831 3283.6598 3283.9567 3285.2687 3289.8622 3307.8353 3317.2424 3348.2404 3357.4554 3359.8959 3362.4392 3380.8143 3381.4226 3390.4063 3400.0382 3439.0797 3439.2625 7.1797 4.9664 1.0417 5.9306 5.3783 5.3764 4.5822 5.8111 6.6097 5.9046 3.5784 3.4177 5.2593 3.7158 5.3478 7.0031 4.4946 4.3835 4.4632 1.3681 3.8216 4.8242 5.0393 3.5704 2.1489 2.7013 5.6436 4.5925 6.2209 3.0667 2.9286 6.4692 5.2589 4.5988 2.9492 3.0111 5.6198 4.4065 4.2094 3.8886 7.0464 4.8940 2.7733 3.0850 4.4969 6.8244 5.6546 5.2941 4.2901 5.1042 3.5955 9.1781 3.9594 3.1369 7.6006 3.1831 2.1003 1.7711 4.5129 5.3272 4.6787 1.7291 1.2466 1.2585 1.9878 9.5685 1.8964 2.1416 1.5094 2.3776 2.2719 2.3971 2.1111 1.7877 1.3881 2.9365 1.3695 1.4051 2.8349 2.8227 1.3588 1.9640 1.5490 1.7996 1.8782 1.8428 3.1546 1.3045 3.6546 3.1075 1.9988 2.0957 2.1100 1.3720 1.4353 2.1232 2.3777 4.1089 2.1990 1.7926 2.0258 2.2987 1.4876 1.5458 1.3871 1.3705 1.2974 1.3135 1.4929 1.4883 1.6466 1.3960 1.4017 3.4391 2.6113 1.4218 1.6134 1.7543 2.7764 2.8832 1.1228 1.0495 1.0457 1.0995 1.0937 5.1234 1.1651 1.1235 1.3029 1.1166 2.4547 3.7467 2.5207 9.7914 5.6943 7.4219 5.4792 5.4883 12.0111 12.1830 1.0386 1.0363 1.0689 1.0683 1.0655 1.1009 1.0897 1.0917 1.0952 1.1036 1.0838 1.1028 1.0593 1.1031 1.1004 1.1105 1.0909 1.0989 1.0901 1.0925 1.0924 1.0945 1.0943 1.0947 1.0943 0.0003 0.0006 0.0003 0.0021 0.0025 0.0037 0.0053 0.0078 0.0137 0.0161 0.0116 0.0119 0.0252 0.0199 0.0413 0.0857 0.0612 0.0814 0.0888 0.0386 0.1128 0.1702 0.1846 0.1733 0.1066 0.1453 0.3323 0.3097 0.4511 0.2630 0.2548 0.6756 0.5547 0.5337 0.3669 0.3764 0.8103 0.7392 0.7216 0.7004 1.3891 1.0125 0.6064 0.7480 1.1922 1.9345 1.6283 1.5412 1.3171 1.7482 1.2635 3.2994 1.4493 1.2377 3.1287 1.3464 0.9263 0.7847 2.0203 2.4630 2.1823 0.9082 0.6661 0.6813 1.0897 5.2722 1.0836 1.2429 0.8804 1.4134 1.3687 1.5459 1.4232 1.2586 0.9852 2.0936 0.9929 1.0266 2.0785 2.0781 1.0012 1.4743 1.2571 1.5265 1.5941 1.5705 2.7474 1.1723 3.3144 2.8296 1.8561 1.9820 2.1054 1.3811 1.4493 2.1617 2.4449 4.2678 2.2894 1.8916 2.1804 2.5340 1.7027 1.7922 1.6663 1.6788 1.6281 1.6512 1.9240 1.9551 2.1863 1.9092 1.9323 4.8629 3.7106 2.0537 2.3475 2.5579 4.0671 4.3891 1.7602 1.6467 1.6453 1.7376 1.7299 8.1268 1.8508 1.8044 2.1462 1.8477 4.0801 6.2931 4.2643 17.6837 10.4611 13.7469 10.5620 10.7331 24.6448 25.6439 6.2865 6.2944 6.5296 6.5597 6.6337 6.8927 6.8500 6.8889 6.9351 7.0108 6.8865 7.0126 6.7547 7.1114 7.1343 7.3347 7.2452 7.3094 7.2618 7.3570 7.3592 7.4129 7.4532 7.6280 7.6267 0.0147 0.2044 0.1215 0.4003 0.0378 2.9912 1.7250 6.0900 0.2851 1.5998 1.6165 1.5493 1.9973 2.2593 1.2197 2.6504 0.4451 0.7230 2.6736 0.7699 0.6223 0.9380 8.8914 3.3224 4.1584 1.2577 2.8856 1.2681 4.6876 7.1007 0.3873 8.0540 9.1429 0.4385 0.0024 0.6576 9.9535 10.3491 7.4010 7.2675 2.4559 3.0562 1.7470 5.7564 6.9990 0.6852 0.1733 4.1122 14.4821 0.5443 1.1126 1.9637 14.0625 60.9167 2.8254 36.0141 17.2104 42.2074 21.2768 4.3648 22.3602 26.1087 0.0040 1.4020 4.1464 52.2645 23.6742 15.6924 0.5603 0.9329 1.1509 10.7086 4.6728 0.4194 0.2109 7.3056 1.2405 0.8998 3.6044 7.5636 0.0204 5.8755 5.3867 0.6116 0.9637 5.8928 2.5805 11.7930 13.6208 23.6156 26.1008 31.1323 13.8303 4.8930 19.2171 9.0009 0.8862 17.2338 6.4125 3.6570 24.7583 94.4723 39.9634 8.4203 32.6687 6.6724 0.2911 1.0330 9.0711 1.2434 48.7569 22.3137 26.9083 362.8537 25.2521 50.3925 86.6003 107.9564 2.1764 61.8374 0.2429 5.7118 2.2238 1.3263 11.8598 439.1829 33.4820 4.0086 10.3058 2.3190 0.1834 117.5400 9.9183 41.2005 10.2274 81.1644 42.8692 42.8105 407.4561 384.1400 39.4240 22.2845 35.6690 32.4743 28.4325 26.4890 10.4086 21.2818 27.7909 27.9809 49.8915 22.6980 6.6437 21.9758 31.6973 0.4895 19.9383 5.8695 17.4667 8.4232 5.5709 11.9301 5.0643 1.2479 0.5046 1.1334 5.7922 0.4619 3.7053 3.7552 1.0947 4.1018 0.2719 0.4595 1.2704 1.1397 1.2491 1.4980 1.1095 0.1901 1.5580 0.6757 0.4672 0.5006 0.1726 0.6816 0.4574 0.5340 1.7511 0.7275 1.0612 2.8585 3.4137 2.2671 0.1667 1.3615 0.8441 1.4966 1.8410 0.0045 0.9319 1.0771 1.5741 3.1180 1.0779 0.9585 0.7178 1.5496 1.7750 1.8963 7.3651 4.8261 2.4407 3.1615 22.5948 2.0188 0.7359 0.8876 22.2017 3.1159 9.2917 9.6016 4.3591 21.1846 21.8402 7.1569 0.3758 1.9153 3.1320 5.5167 17.8098 3.6497 3.9189 1.1823 6.0134 11.5642 8.7889 3.3057 5.1108 2.4566 2.1767 0.3115 3.6106 2.4963 2.3459 0.0243 8.4406 0.2457 0.1727 0.2129 3.9513 7.8275 3.5551 13.3373 64.8753 13.6168 1.1193 19.1442 1.4903 1.3355 1.0151 21.1184 3.5747 9.1244 6.4028 6.0859 2.3958 3.7153 18.2519 63.1299 5.4765 0.3806 2.1664 1.7986 5.0223 3.0406 6.2757 3.0364 2.7847 17.7616 11.2442 4.8617 11.3189 0.3634 24.4300 31.2654 20.1634 23.0735 19.5932 17.4928 152.8885 56.4187 12.8957 31.4243 5.6441 20.2161 32.0439 2.3564 49.6203 3.5056 0.7664 252.8003 109.8808 0.5630 39.3910 192.2193 108.7999 98.7840 31.7414 86.2857 106.2713 98.0656 31.2278 154.5201 76.6405 69.6168 63.8540 50.5811 49.0696 80.5560 29.7609 95.9139 66.7833 69.2835 47.2744 70.8642 71.5460 84.5399 114.1500 38.5491 0.7445 0.7499 0.7467 0.7453 0.7446 0.7347 0.7376 0.7275 0.7370 0.6332 0.7152 0.7489 0.7149 0.7442 0.5322 0.2106 0.7395 0.7499 0.1333 0.4719 0.7256 0.7109 0.1243 0.3156 0.7195 0.6856 0.3433 0.6497 0.7386 0.4925 0.7489 0.4228 0.6610 0.6857 0.7495 0.6161 0.5867 0.5986 0.0955 0.7349 0.7473 0.4811 0.1413 0.5289 0.3032 0.7487 0.7071 0.7325 0.7434 0.2003 0.0882 0.7367 0.1309 0.1899 0.1809 0.1437 0.0284 0.2070 0.6250 0.0415 0.6653 0.3009 0.7499 0.5914 0.3042 0.1249 0.0549 0.7181 0.6549 0.4149 0.0661 0.5828 0.6625 0.7498 0.7390 0.7484 0.0910 0.7255 0.5842 0.5079 0.7008 0.5494 0.4571 0.6356 0.6784 0.1905 0.6878 0.7324 0.1433 0.2206 0.2339 0.1219 0.1417 0.7205 0.6629 0.6193 0.1148 0.4176 0.3060 0.7261 0.7414 0.5792 0.6549 0.7348 0.3885 0.7205 0.7360 0.7046 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15.99491 12.00000 1.00783 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 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 7614.7278 42126.2294 46408.2003 0.99997 -0.00701 -0.00110 0.00702 0.99990 0.01237 0.00101 -0.01238 0.99992 1 0.01137 0.00206 0.00187 0.23701 0.04284 0.03889 12.86 21.13 29.40 35.49 40.49 49.36 63.96 68.76 85.47 97.98 106.74 110.40 129.65 137.30 164.74 207.35 218.64 255.48 264.47 314.74 321.96 352.08 358.77 412.98 417.42 434.78 454.84 486.76 504.74 548.97 552.93 605.73 608.74 638.53 661.14 662.72 711.76 767.73 776.06 795.53 832.24 852.60 876.51 922.98 965.12 997.98 1005.86 1011.34 1038.60 1096.99 1111.15 1123.85 1134.03 1177.40 1202.62 1219.06 1244.85 1247.68 1254.14 1274.53 1280.15 1358.49 1370.10 1379.17 1387.86 1391.36 1416.87 1427.94 1431.55 1445.19 1454.88 1505.26 1539.06 1572.79 1579.19 1582.71 1596.04 1602.19 1604.98 1608.30 1608.94 1624.02 1688.60 1726.35 1726.89 1730.42 1749.27 1776.92 1785.05 1788.66 1806.31 1822.84 1872.37 1880.64 1883.59 1891.38 1900.75 1910.32 1912.56 1925.49 1944.64 1968.02 2005.35 2018.35 2054.44 2074.57 2099.76 2101.58 2127.92 2148.38 2159.87 2192.05 2200.83 2228.92 2234.40 2252.75 2260.98 2263.42 2268.66 2312.70 2346.89 2347.93 2351.15 2356.36 2357.38 2360.74 2362.40 2375.51 2405.73 2411.27 2416.61 2429.26 2438.00 2519.03 2540.60 2551.02 2602.46 2621.27 2684.98 2719.46 4611.56 4619.57 4632.83 4644.83 4677.04 4690.15 4699.53 4708.61 4716.72 4724.45 4724.88 4726.77 4733.38 4759.24 4772.77 4817.37 4830.63 4834.14 4837.80 4864.24 4865.11 4878.04 4891.90 4948.07 4948.33 0.493860 0.522001 0.522945 0.427324 -1779.272808 -1779.244667 -1779.243723 -1779.339345 3.207178D-04 MUNgauss RevisionA2.1 retrievium 01-Apr-2021 DUDE CCn1c(nnc1SCc2ccc(cc2)[N+](=O)[O-])[C@@H]3CCCN3C(=O)c4ccc(cc4)C C20294257 RHF 6-31G(d) (6D,10F) C1 451.167812 |X|Y|Z| 146.540474 58.941704 33.319536 66.022669 25 6 7 16 20 4 1 |36.858105| |12.493416|36.858105| |7.668884|13.039594|53.358707| |5.616738|7.462366|18.990603|36.858105| |4.328225|5.298463|11.926515|14.852732|53.358707| |4.321867|5.303835|11.896052|8.899513|19.046247|53.358707| |5.622681|7.536043|19.113038|8.922987|12.191124|20.199325|36.858105| |4.934185|5.905839|9.434161|4.952945|6.740676|9.546759|10.820298|388.023441| |3.435123|3.893432|6.404381|4.000140|6.100119|8.967458|6.989605|74.103980|36.858105| |2.937583|3.203960|4.856639|3.075790|4.507017|5.898035|4.657175|49.743413|12.624890|36.858105| |2.757434|2.861656|4.234871|2.723786|3.950787|4.960602|3.875231|38.476054|7.568823|13.699316|36.858105| |2.380626|2.444166|3.510505|2.289253|3.271843|3.939088|3.064004|28.817727|5.022815|7.901381|13.784048|36.858105| |2.207646|2.310769|3.282637|2.146494|3.049153|3.626607|2.824538|26.255829|4.466134|6.910913|8.013748|13.780500|36.858105| |2.289514|2.471222|3.533166|2.297646|3.270261|3.928513|3.072204|28.935009|5.022830|7.901524|6.860974|7.878480|13.777878|36.858105| |2.619496|2.904907|4.274342|2.737744|3.947862|4.939433|3.891519|38.751520|7.567870|13.696525|7.941768|6.860647|8.013414|13.786324|36.858105| |1.926577|1.992848|2.788388|1.847829|2.603425|3.012736|2.330019|20.675431|3.328698|4.520608|5.135858|7.783776|13.070073|7.782701|5.135722|53.358707| |1.845160|1.876243|2.617039|1.744815|2.454156|2.813462|2.166849|18.887389|2.992481|3.900136|4.683907|7.089897|8.380959|5.424272|4.097574|21.718724|73.516695| |1.806838|1.886665|2.625014|1.747968|2.453506|2.810015|2.169248|18.914329|2.992428|3.900094|4.097698|5.424855|8.381101|7.089026|4.683800|21.720086|16.017918|73.516695| |5.009955|6.002893|10.126261|12.624976|10.521575|7.201049|5.277329|25.758944|3.038478|2.477070|2.248372|1.944990|1.840399|1.953256|2.261002|2.201797|2.735593|2.741798|36.858105| |5.953560|6.933724|9.697047|8.950947|7.822736|6.098927|4.827671|25.052904|2.855550|2.379548|2.178427|1.901327|1.802994|1.906289|2.185783|2.168748|2.700223|2.703972|17.618734|0.500000| |4.093416|4.320053|7.007314|7.523264|8.636524|6.092543|4.194728|21.753832|2.704358|2.241139|2.084279|1.814568|1.701459|1.778132|2.029949|2.052506|2.575951|2.546626|12.366579|0.244005|36.858105| |3.237329|3.448404|5.266577|5.142384|6.284216|4.743649|3.275007|17.976301|2.289095|1.943759|1.809373|1.602289|1.521514|1.594440|1.798140|1.856746|2.330422|2.323642|7.892963|0.181467|12.473348|36.858105| |3.072911|3.485808|5.431223|5.383359|6.724371|5.010215|3.411315|18.549717|2.382242|2.010539|1.837060|1.626478|1.562084|1.659935|1.885235|1.900989|2.366112|2.394176|7.852845|0.170238|8.009054|12.484663|36.858105| |3.793121|4.627063|7.355992|7.713859|8.364665|6.052544|4.283554|22.245945|2.736618|2.270050|2.042032|1.790926|1.722497|1.847231|2.125933|2.076613|2.568259|2.613165|12.991634|0.254135|8.053718|8.148030|13.010637|53.358707| |3.664181|4.687452|6.886151|6.129191|6.745510|5.429438|4.040934|22.020470|2.669916|2.249414|2.001848|1.771487|1.728212|1.874666|2.153102|2.089494|2.567499|2.651159|7.850556|0.201947|5.235555|5.351038|7.548486|19.138904|36.858105| |4.283881|5.882131|7.830946|6.132977|6.383418|5.464581|4.366449|24.286039|2.807733|2.377215|2.105644|1.863282|1.822992|1.985052|2.284722|2.198082|2.692516|2.789874|7.075727|0.211154|4.603552|4.372629|5.313729|11.614677|15.763996|73.516695| |2.859772|3.490618|5.056109|4.286240|5.245870|4.434568|3.217884|18.564939|2.348602|2.023678|1.804425|1.619257|1.598238|1.740158|1.974898|1.951736|2.395104|2.498578|5.005703|0.129882|3.971213|4.379970|6.338369|10.548855|12.714463|14.414833|36.858105| |2.619690|3.127861|4.288008|3.429194|4.187577|3.696419|2.752858|16.633910|2.095735|1.848713|1.660263|1.509360|1.501448|1.632845|1.827501|1.851517|2.273743|2.385211|3.921634|0.108577|3.227500|3.546064|4.578071|7.154003|7.682700|11.840520|13.691338|36.858105| |2.206326|2.569288|3.543389|2.804083|3.550720|3.199697|2.353517|14.596662|1.885771|1.688363|1.522827|1.397886|1.399762|1.522018|1.685975|1.740248|2.137956|2.255085|3.107207|0.085068|2.690501|2.975356|3.732033|5.395564|5.068744|8.056729|7.921087|13.805820|36.858105| |2.027096|2.344889|3.327837|2.672671|3.500997|3.155304|2.265282|14.029500|1.859312|1.663339|1.498866|1.376191|1.379201|1.501078|1.662979|1.715486|2.106893|2.225022|2.906179|0.077178|2.586917|2.879186|3.669675|5.051646|4.432401|6.805465|6.799642|7.893128|13.670976|36.858105| |2.136228|2.493106|3.660817|3.031037|4.061996|3.587645|2.511009|15.172080|2.034382|1.791666|1.605622|1.460760|1.456143|1.587033|1.776475|1.797778|2.206207|2.320905|3.279718|0.083954|2.926648|3.273059|4.409594|5.924072|5.016108|7.237464|7.918613|6.899611|7.980532|13.730327|36.858105| |2.505215|2.992896|4.501501|3.875958|5.113691|4.335509|3.013997|17.488562|2.304013|1.985230|1.768175|1.588351|1.570313|1.712052|1.942219|1.919642|2.354688|2.461154|4.297580|0.106492|3.672502|4.104083|6.090896|8.588440|7.522407|9.614320|13.741483|7.961587|6.898708|7.891710|13.741543|36.858105| |1.749665|1.985103|2.798349|2.212762|2.938421|2.700804|1.938160|12.289692|1.652633|1.501649|1.362901|1.263861|1.272933|1.381346|1.512335|1.597516|1.965566|2.082265|2.365887|0.063298|2.163395|2.388364|2.902324|3.918022|3.279961|5.246998|4.418029|5.018913|7.556364|12.612819|7.540320|5.007648|36.858105| |17.555142|8.861307|7.601969|4.386994|4.786320|4.787054|4.403953|29.671494|3.006601|2.670343|2.530744|2.237828|2.099991|2.171714|2.436942|2.529493|3.171794|3.118289|4.157161|0.139033|3.478632|2.894678|2.762826|4.555687|3.343868|7.045619|2.680024|2.528652|2.143646|1.948721|2.019040|2.331011|1.694686|0.500000| |17.555352|8.787037|9.366421|5.856956|6.034938|5.661443|5.018590|29.446826|3.101559|2.645070|2.509869|2.177911|2.013944|2.075399|2.357524|2.412336|3.037860|2.958056|5.708737|0.196661|4.869478|3.710486|3.358980|5.553732|3.760007|7.526223|2.904510|2.634613|2.213059|2.038597|2.159195|2.546919|1.755845|0.301306|0.500000| |17.571905|8.784228|9.396268|5.052039|5.712123|6.054175|5.863771|39.956901|3.810525|3.270958|3.133090|2.665279|2.419596|2.472911|2.834674|2.846065|3.577618|3.441261|4.269826|0.130948|3.684094|2.915573|2.766111|4.508955|3.165927|6.371088|2.548024|2.331352|2.001353|1.866184|1.975283|2.290796|1.628643|0.301055|0.301275|0.500000| |8.770184|17.686230|12.600695|7.009356|6.635719|6.195700|5.790085|32.601191|3.309919|2.782939|2.491830|2.170708|2.082123|2.236035|2.591188|2.479365|3.050011|3.098832|6.628943|0.234472|4.483317|3.723313|3.844829|7.265715|5.761031|14.344706|4.075257|3.680843|2.922271|2.599924|2.735989|3.327681|2.165532|0.211296|0.209082|0.172309|0.500000| |8.834867|17.614739|12.590829|5.728459|6.196879|6.685888|7.146542|48.527406|4.188184|3.521288|3.083870|2.641593|2.529826|2.744988|3.250466|2.947601|3.586759|3.655897|4.623401|0.140991|3.514281|2.926641|3.021410|5.294849|4.111011|9.188649|3.231040|2.964981|2.479261|2.266244|2.385599|2.806694|1.938079|0.212919|0.172861|0.210651|0.305382|0.500000| |3.368240|3.676682|6.195705|4.048221|6.423379|9.528774|6.663736|56.505933|17.658395|8.846626|7.130525|4.723639|3.994995|4.204097|5.648643|4.181699|5.060143|4.861683|3.075119|0.079271|2.824522|2.359793|2.415763|3.711092|2.588080|4.750999|2.270376|2.011752|1.812450|1.796541|1.977904|2.244789|1.599399|0.080888|0.086785|0.105087|0.087074|0.105036|0.500000| |3.172345|3.724534|6.255761|4.070657|6.408304|9.410253|6.683668|56.540913|17.653151|8.846075|5.660653|4.208844|3.994893|4.716724|7.106227|4.181616|4.863624|5.057752|3.092118|0.079393|2.723929|2.339543|2.494393|3.906620|2.826550|5.220886|2.519850|2.227306|2.011485|2.002694|2.213940|2.509791|1.774639|0.077663|0.080619|0.094119|0.090714|0.110617|0.303050|0.500000| |2.886625|2.918188|4.364120|2.827544|4.122353|5.166933|3.991015|37.783841|7.020610|8.907612|17.725069|8.957140|5.683322|4.946353|5.646266|5.671810|7.171194|6.051655|2.328896|0.062550|2.191002|1.880177|1.883158|2.834093|2.010326|3.739089|1.797088|1.645133|1.503279|1.479101|1.589463|1.759371|1.341876|0.072716|0.073779|0.092888|0.070014|0.085356|0.214319|0.143805|0.500000| |2.234494|2.246414|3.198141|2.108253|2.999078|3.537471|2.732070|24.672048|4.088996|5.623718|8.888174|17.788678|8.937620|5.632626|4.951285|9.786663|14.189826|8.834735|1.816651|0.049513|1.716135|1.519966|1.529317|2.272165|1.643042|3.061369|1.504738|1.407481|1.306935|1.286490|1.361821|1.475927|1.186063|0.058727|0.057320|0.069660|0.055713|0.066616|0.111817|0.096892|0.214613|0.500000| |2.105871|2.283686|3.228420|2.119809|2.996907|3.523976|2.742298|24.801687|4.088956|5.623741|4.951454|5.632696|8.936633|17.788666|8.889259|9.785029|8.833581|14.186599|1.828537|0.049713|1.662784|1.508213|1.579126|2.384235|1.794937|3.378224|1.686434|1.596475|1.499881|1.480881|1.555736|1.662323|1.371810|0.056067|0.053221|0.062259|0.058292|0.070503|0.096758|0.111608|0.107509|0.124327|0.500000| |2.623854|3.001674|4.442322|2.855694|4.116654|5.124957|4.023243|38.258035|7.019850|8.906813|5.646405|4.946176|5.682952|8.957349|17.724975|5.671460|6.051337|7.170644|2.354180|0.062957|2.082936|1.858033|1.978779|3.061589|2.310744|4.368026|2.134745|1.973221|1.821775|1.800093|1.926088|2.104860|1.631763|0.067837|0.065587|0.077179|0.075366|0.094060|0.143354|0.212819|0.124103|0.107506|0.214620|0.500000| |3.733909|3.959930|6.791920|7.410410|10.176941|6.839337|4.378930|22.370628|2.882791|2.355624|2.190703|1.891205|1.762239|1.838726|2.110816|2.115590|2.656149|2.615087|8.828759|0.175757|17.613959|8.842013|6.896494|9.017414|4.552971|7.130500|3.629177|2.938967|2.509189|2.471053|2.841873|3.528877|2.089305|0.087638|0.119111|0.097421|0.109510|0.092031|0.085465|0.081043|0.064412|0.049639|0.047524|0.059973|0.500000| |4.392040|4.272779|6.544002|6.241990|7.124110|5.479853|3.923567|21.116489|2.592084|2.178167|2.059330|1.799288|1.675218|1.732180|1.961096|2.028408|2.562039|2.506987|8.724355|0.222629|17.582884|8.665415|5.689279|7.930623|4.302204|7.158219|3.356067|2.854144|2.410287|2.296949|2.535900|3.077322|1.954959|0.103625|0.154346|0.109910|0.120703|0.095835|0.075637|0.071025|0.060687|0.047633|0.044883|0.055276|0.301713|0.500000| |2.814116|2.936831|4.483584|4.224025|5.508301|4.286371|2.907220|16.342281|2.134003|1.828123|1.716521|1.527252|1.447770|1.508847|1.690679|1.774893|2.236479|2.220315|5.643291|0.134181|8.697213|17.582036|8.724264|7.878747|4.205706|6.272086|3.695342|3.072719|2.679036|2.655127|3.022797|3.642563|2.255569|0.070516|0.088722|0.072124|0.086036|0.070759|0.061709|0.060552|0.049715|0.040448|0.039676|0.048299|0.217419|0.195864|0.500000| |3.230708|3.368156|4.867479|4.465486|5.270948|4.172894|2.984687|16.858651|2.116737|1.823872|1.706987|1.524009|1.451755|1.517721|1.698201|1.782031|2.240863|2.235226|6.783440|0.181559|8.793664|17.542066|8.847776|9.428356|5.115446|7.717037|4.228817|3.598109|3.001326|2.826463|3.100656|3.788680|2.356117|0.082148|0.103936|0.079481|0.103431|0.079435|0.060090|0.059656|0.049147|0.040291|0.040027|0.048669|0.173798|0.215336|0.301125|0.500000| |2.817631|3.196464|5.144587|5.107144|7.055277|5.215580|3.394837|18.444227|2.444975|2.051598|1.868714|1.650137|1.584291|1.686307|1.921251|1.924173|2.392500|2.422541|6.391254|0.136762|6.824065|8.820934|17.562714|12.298231|6.089018|8.006039|5.588707|4.061478|3.474947|3.591521|4.521381|6.161209|2.886832|0.070054|0.084249|0.072186|0.094792|0.078498|0.069444|0.072011|0.053209|0.043033|0.044524|0.056112|0.192488|0.137828|0.218567|0.174364|0.500000| |2.747928|3.093753|4.617505|4.264042|5.343963|4.226556|2.937933|16.599239|2.140804|1.839337|1.685094|1.508255|1.459646|1.552487|1.746905|1.790000|2.228226|2.266935|5.793848|0.140626|5.713616|8.700647|17.648075|12.306468|7.091554|8.897177|7.059350|5.234984|4.304683|4.222730|5.016873|6.764027|3.274498|0.070336|0.082434|0.068672|0.096150|0.076080|0.059769|0.062350|0.047684|0.039479|0.041335|0.051073|0.138869|0.125925|0.195752|0.219042|0.301304|0.500000| |2.793514|3.327743|4.368266|3.393011|4.029797|3.597684|2.749011|16.814208|2.073591|1.840235|1.659726|1.512416|1.503633|1.630397|1.818083|1.857331|2.283941|2.391460|3.907956|0.113709|3.171227|3.412860|4.157906|6.712238|7.188193|12.895249|8.934857|17.741174|8.924248|5.625185|4.968088|5.664435|4.092630|0.076227|0.077691|0.068028|0.111941|0.087670|0.055098|0.060480|0.045705|0.039239|0.044265|0.054286|0.078857|0.079665|0.081431|0.099059|0.100301|0.128261|0.500000| |2.065602|2.369875|3.203573|2.484833|3.140938|2.874555|2.136487|13.525815|1.744957|1.581888|1.435104|1.327346|1.333791|1.446567|1.587950|1.669057|2.053427|2.170008|2.731476|0.076221|2.395227|2.624954|3.152906|4.539360|4.136079|6.944730|5.642853|8.957667|17.699924|8.901198|5.661485|4.964003|7.017360|0.056508|0.057340|0.052157|0.074610|0.064128|0.046506|0.051344|0.039284|0.034573|0.039778|0.047513|0.062010|0.060727|0.066292|0.074668|0.081497|0.099565|0.215763|0.500000| |1.966852|2.267410|3.365245|2.784106|3.839361|3.426331|2.359886|14.383912|1.971565|1.743697|1.566398|1.428711|1.425436|1.551702|1.731387|1.763960|2.166329|2.279495|2.949418|0.074844|2.711310|3.013369|3.945613|5.127718|4.088750|6.056648|5.646024|4.965495|5.658917|8.917830|17.709759|8.943545|6.980124|0.051518|0.055245|0.051135|0.067817|0.060544|0.053540|0.059875|0.043066|0.037046|0.042314|0.052076|0.074755|0.065572|0.079436|0.078275|0.117735|0.121258|0.107779|0.124209|0.500000| |2.555416|3.047472|4.780477|4.281751|5.928965|4.879551|3.261902|18.455312|2.475198|2.099996|1.865435|1.661640|1.632493|1.777852|2.033019|1.983986|2.434735|2.531638|4.629128|0.109075|4.042782|4.448135|6.851044|9.218334|6.908873|8.882385|8.906580|5.650869|4.966820|5.636401|8.942339|17.730991|4.091628|0.064978|0.072552|0.065609|0.091848|0.078749|0.067713|0.075536|0.051797|0.042831|0.047638|0.061077|0.111906|0.091686|0.111033|0.108357|0.219081|0.190838|0.124328|0.107737|0.216910|0.500000| 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