Version2.4 2021-06-07T06:51:41Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 27-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C=CCN1[C@H](C(=C(C1=O)[O-])C(=O)c2ccc(cc2)OCc3ccc(cc3)Cl)c4cccc(c4)[N+](=O)[O-] C40030677 RHF 6-31G(d) (6D,7F) C=CCN1[C@H](C(=C(C1=O)[O-])C(=O)c2ccc(cc2)OCc3ccc(cc3)Cl)c4cccc(c4)[N+](=O)[O-] C01[X(C27H20Cl1N2O6)] 162 C1 584 C=CCN1C(=O)C(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)c1ccc(cc1)OCc1ccc(cc1)Cl)[O-] C=CCN1C(=O)C(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)c1ccc(cc1)OCc1ccc(cc1)Cl)[O-] [O-]C1=C([C@@H](N(CC=C)C1=O)c2cccc(c2)[N+]([O-])=O)C(=O)c3ccc(OCc4ccc(Cl)cc4)cc3 InChIKey=IYDMWZYNQCCOSV-DEOSSOPVSA-M InChI=1S/C27H21ClN2O6/c1-2-14-29-24(19-4-3-5-21(15-19)30(34)35)23(26(32)27(29)33)25(31)18-8-12-22(13-9-18)36-16-17-6-10-20(28)11-7-17/h2-13,15,24,32H,1,14,16H2/p-1/t24-/m0/s1 InChI=1/C27H21ClN2O6/c1-2-14-29-24(19-4-3-5-21(15-19)30(34)35)23(26(32)27(29)33)25(31)18-8-12-22(13-9-18)36-16-17-6-10-20(28)11-7-17/h2-13,15,24,32H,1,14,16H2/p-1/t24-/m0/s1/fC27H20ClN2O6/h32h/q-1 C=CCN1[C@H](C(=C(C1=O)[O-])C(=O)c2ccc(cc2)OCc3ccc(cc3)Cl)c4cccc(c4)[N+](=O)[O-] C01[X(C27H20Cl1N2O6)] 162 C01 584 C=CCN1C(=O)C(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)c1ccc(cc1)OCc1ccc(cc1)Cl)[O-] C=CCN1C(=O)[C]([C]([C](=O)[C]2[CH][CH][C]([CH][CH]2)OC[C]2[CH][CH][C]([CH][CH]2)Cl)[C@@H]1[C]1[CH][CH][CH][C]([CH]1)[N]([O])[O])=O [O]N([O])[C]1[CH][CH][CH][C]([CH]1)[C@H]2[C](C(=O)[C]3[CH][CH][C]([CH][CH]3)OC[C]4[CH][CH][C](Cl)[CH][CH]4)C(=O)C(=O)N2CC=C InChIKey=SBHWAUXQEFRBEA-DEOSSOPVSA-N InChI=1S/C27H20ClN2O6/c1-2-14-29-24(19-4-3-5-21(15-19)30(34)35)23(26(32)27(29)33)25(31)18-8-12-22(13-9-18)36-16-17-6-10-20(28)11-7-17/h2-13,15,24H,1,14,16H2/t24-/m0/s1 InChI=1/C27H20ClN2O6/c1-2-14-29-24(19-4-3-5-21(15-19)30(34)35)23(26(32)27(29)33)25(31)18-8-12-22(13-9-18)36-16-17-6-10-20(28)11-7-17/h2-13,15,24H,1,14,16H2/t24-/m0/s1 3846.4003035939 -2051.5470387 1-A 23285.3377 131 453 584 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.77204 -20.53247 -20.53168 -20.51064 -20.40752 -20.37958 -20.36956 -15.78522 -15.47799 -11.24482 -11.22229 -11.21810 -11.21346 -11.21285 -11.19009 -11.18697 -11.18652 -11.18507 -11.18467 -11.18350 -11.18028 -11.17840 -11.17628 -11.17393 -11.17216 -11.17063 -11.16666 -11.16572 -11.15127 -11.14703 -11.14515 -11.14256 -11.14225 -11.13866 -11.12868 -11.06141 -10.50544 -7.97483 -7.97159 -7.97155 -1.56280 -1.34436 -1.33906 -1.27511 -1.22719 -1.20795 -1.16017 -1.13459 -1.11348 -1.07165 -1.05992 -1.01525 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1569.8478 1571.2302 1591.4065 1598.2507 1604.9202 1626.6225 1632.8989 1657.2158 1676.2444 1678.4677 1691.2259 1768.5015 1774.1450 1775.8751 1788.0816 1810.2632 1813.1628 1816.5665 1847.1796 1878.1826 1947.7500 1974.2640 3172.1637 3210.7452 3212.2628 3276.4647 3304.0030 3318.9458 3335.2469 3364.1390 3364.4768 3373.3237 3375.4539 3382.2767 3386.3432 3395.5550 3397.2554 3399.0194 3401.4089 3402.7077 3434.5803 3440.2624 7.5550 9.1570 5.2024 7.5935 4.8299 5.3606 6.1144 6.1293 4.5521 4.9667 8.1062 6.9961 3.5800 4.7482 9.3965 6.8739 8.8376 6.9102 6.5068 6.1479 5.2906 6.3511 8.1859 4.2671 4.2663 6.3889 5.1347 7.6470 6.1839 6.8799 8.6196 5.8295 2.7708 2.7011 4.6059 8.1963 5.3974 2.9749 3.3028 3.3619 4.9165 4.9759 2.9206 5.5104 7.2971 3.4862 6.5307 3.7454 5.3762 6.2715 6.7184 6.8828 4.8525 2.9110 3.9138 3.8194 3.0653 3.8689 4.5220 4.1884 4.9953 5.3840 6.0709 4.9701 3.5146 3.2639 2.4702 3.2859 1.2790 1.4185 1.8102 2.1828 1.8606 3.3222 2.4282 1.6660 1.3633 1.4209 1.5119 1.4066 3.4090 5.2295 1.3841 1.7300 3.7176 2.4517 1.3602 1.3707 1.2446 3.1763 5.1605 2.0591 1.7892 1.6910 3.0614 2.0209 2.6209 1.9098 2.8753 2.4013 1.2008 2.9875 1.2676 3.4762 2.4733 1.9867 3.2651 3.3678 2.8523 1.5166 2.0870 1.3936 1.2892 1.3159 1.2801 1.7888 1.5572 1.3188 2.6532 2.0214 2.4257 1.6485 2.2253 1.5288 2.4298 9.7841 1.1840 2.4014 2.3107 1.2841 2.0192 6.6597 6.1473 5.9993 6.2337 5.3956 11.1651 5.8687 9.7622 4.2856 12.7938 12.1928 1.0836 1.0644 1.0705 1.1018 1.0909 1.0699 1.0873 1.0889 1.0906 1.0901 1.0896 1.0914 1.0942 1.0955 1.0952 1.0944 1.1166 1.0959 1.0944 1.0920 0.0007 0.0025 0.0018 0.0034 0.0037 0.0045 0.0070 0.0097 0.0075 0.0098 0.0190 0.0219 0.0151 0.0251 0.0592 0.0650 0.1053 0.1049 0.1164 0.1273 0.1241 0.1960 0.2945 0.1623 0.1919 0.3653 0.3093 0.5240 0.4367 0.5196 0.7124 0.5203 0.2685 0.2667 0.5238 0.9648 0.6634 0.3708 0.4262 0.4532 0.6950 0.7941 0.5659 1.0989 1.4703 0.7130 1.3866 0.8327 1.4357 1.7613 1.9179 1.9672 1.5277 0.9316 1.3199 1.3129 1.1106 1.4677 1.7383 1.7727 2.1527 2.4091 2.7671 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6.4682 14.9885 11.1190 24.6847 6.1526 11.1422 31.0737 15.8713 5.7705 0.6939 13.1343 8.8030 12.3370 42.4981 8.1265 21.3828 2.7015 56.8970 36.1187 14.4051 30.8645 1.7594 33.5781 37.3906 12.7830 23.3337 6.1960 9.3377 43.1275 63.8436 9.7691 13.1726 5.4225 4.7146 46.5594 2.5584 8.5173 4.6255 26.6831 4.6657 7.9300 11.2520 27.8450 0.6540 0.5369 2.3806 6.7974 14.9221 46.3448 3.2642 18.8980 5.8770 64.5730 29.5482 45.4087 31.1080 15.1202 2.4346 48.4641 18.5336 1.3171 38.1299 0.8519 18.5559 12.4363 70.6059 308.5164 127.4244 273.7571 15.1056 14.1342 4.7796 2.0468 71.7375 54.8118 93.4166 686.7318 81.8313 10.5832 66.7472 375.7772 177.0070 31.6989 410.7501 39.4339 1.5808 43.0711 23.8822 59.2308 13.7598 74.6428 26.5082 124.3646 15.6530 465.6390 79.4914 229.5937 4.1905 760.7063 597.3036 52.5353 43.1871 43.9752 23.8328 0.6763 38.0757 11.1155 22.8935 11.0130 16.7045 7.5300 0.5570 22.6701 8.8116 11.7483 5.7720 26.7310 2.7339 0.9930 0.3542 2.6155 0.3975 5.2638 2.5964 3.0542 2.9354 1.7510 2.0217 5.6351 2.0112 4.5888 2.7843 6.3137 2.2902 0.4502 0.5989 0.6021 0.9633 2.3589 3.4279 1.5446 1.3444 3.3537 1.2004 0.8270 2.6273 0.7526 1.9575 4.1590 2.1105 1.1537 2.9111 1.2402 3.8886 2.9488 0.7418 5.4571 0.0413 0.7025 0.8147 1.6486 2.9229 3.1880 0.7508 0.7768 0.9058 0.5379 1.0080 2.1353 3.8743 3.4261 9.0468 5.7239 2.1069 2.4748 4.4234 0.4930 1.0733 11.9682 3.7219 5.7113 1.2883 17.2679 4.7681 16.6937 3.0838 12.9417 2.4150 2.1123 4.5124 1.1283 13.8897 4.2876 4.9862 1.6227 1.8706 2.0739 2.5398 2.1113 0.6917 3.3070 22.8761 0.3373 1.6840 2.2091 0.3908 0.5419 0.1876 3.0749 4.8041 10.1709 1.6807 0.8850 1.2112 18.3990 13.5386 2.2211 11.9263 1.4422 1.9626 5.2385 4.7814 1.3433 44.0141 10.1977 1.9477 7.4611 5.6950 73.8468 8.7692 19.8168 1.4231 45.6157 1.3313 0.7054 7.2818 6.3269 0.6861 15.2325 15.3483 0.4869 4.7439 32.2639 8.8619 4.3589 169.5562 9.8624 13.0602 0.3951 7.3661 4.0844 4.0668 12.3943 25.8366 34.2173 57.9352 80.3111 62.5279 2.5492 46.5278 70.9636 43.7257 30.3955 73.7957 80.7706 35.8290 49.8494 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15.99491 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 8496.5253 38284.5674 40776.8287 0.99994 0.01067 0.00246 -0.01068 0.99992 0.00696 -0.00239 -0.00699 0.99997 1 0.01019 0.00226 0.00212 0.21241 0.04714 0.04426 17.66 30.68 34.96 39.93 51.95 54.04 63.42 74.48 76.06 83.11 90.65 104.92 121.76 136.32 148.76 182.24 204.60 230.98 250.69 269.75 287.12 329.33 355.52 365.58 397.49 448.22 460.05 490.64 498.10 515.14 538.88 559.98 583.52 588.96 632.09 643.11 657.17 661.77 673.34 688.23 704.74 748.82 825.10 837.06 841.40 847.67 863.69 883.85 968.63 993.34 1001.50 1002.10 1051.73 1060.39 1088.51 1098.95 1128.25 1154.48 1162.14 1219.46 1230.50 1253.84 1265.48 1284.01 1312.10 1315.90 1319.59 1327.52 1334.64 1366.74 1380.70 1408.76 1416.88 1457.31 1483.50 1505.01 1536.82 1544.99 1548.43 1560.12 1568.10 1571.24 1581.99 1586.98 1600.81 1604.17 1613.65 1620.90 1638.65 1671.41 1699.95 1713.46 1715.94 1723.61 1726.20 1761.48 1770.26 1802.70 1844.28 1856.91 1859.23 1873.89 1879.76 1891.50 1921.89 1922.81 1925.64 1943.62 1978.31 1998.14 2026.00 2067.31 2070.84 2082.16 2104.81 2108.51 2149.85 2175.54 2210.37 2245.86 2258.66 2260.65 2289.68 2299.53 2309.12 2340.35 2349.38 2384.36 2411.74 2414.94 2433.30 2544.48 2552.60 2555.09 2572.65 2604.57 2608.74 2613.63 2657.68 2702.29 2802.38 2840.53 4564.04 4619.55 4621.73 4714.10 4753.72 4775.22 4798.68 4840.25 4840.73 4853.46 4856.53 4866.34 4872.19 4885.45 4887.89 4890.43 4893.87 4895.74 4941.60 4949.77 0.451607 0.481289 0.482234 0.384659 -2051.095432 -2051.065749 -2051.064805 -2051.162380 3.272682D-04 MUNgauss RevisionA2.1 retrievium 07-Jun-2021 DUDE C=CCN1[C@H](C(=C(C1=O)[O-])C(=O)c2ccc(cc2)OCc3ccc(cc3)Cl)c4cccc(c4)[N+](=O)[O-] C40030677 RHF 6-31G(d) (6D,10F) C1 503.100989 |X|Y|Z| 135.532519 55.460667 42.897532 68.573077 26 6 7 8 24 1 1 |36.858105| |14.455528|36.858105| |7.613318|12.622500|36.858105| |5.410117|7.709541|13.196872|53.358707| |4.215896|5.787979|7.462160|17.817751|36.858105| |4.473628|6.324262|6.855902|12.489203|17.510112|0.500000| |3.453852|4.292623|5.105880|11.122483|12.514929|0.241081|36.858105| |3.573267|4.240581|5.109729|11.098511|7.912187|0.167795|13.449177|36.858105| |4.729113|5.760485|7.773661|19.082049|8.078176|0.173078|8.070821|12.362229|36.858105| |4.871327|5.347450|6.747976|11.424007|5.435070|0.128301|5.405656|7.727049|15.890343|73.516695| |3.076796|3.461220|3.981907|7.492316|5.287222|0.122802|7.886169|15.787364|7.978074|11.738175|73.516695| |2.796401|3.343505|3.755570|6.970686|7.272333|0.175194|13.314848|7.545862|5.072424|6.937918|10.965739|36.858105| |2.443379|2.821924|3.131803|5.551725|5.093320|0.125810|8.080625|6.423489|4.306781|6.237889|11.072646|15.702852|73.516695| |2.630830|3.158522|3.426065|5.867864|6.291965|0.174094|7.535884|4.925339|3.935949|5.621554|7.402281|12.524677|14.554090|36.858105| |2.263409|2.661377|2.909308|4.757291|4.702138|0.126738|5.259854|3.876064|3.222140|4.773058|6.113511|7.587746|11.630494|13.661603|36.858105| |2.098429|2.442817|2.606846|4.063120|3.857825|0.109059|3.971963|3.094372|2.712693|4.120288|4.938836|5.023651|7.972197|7.884756|13.826990|36.858105| |2.184505|2.547147|2.630063|4.000771|3.778878|0.113684|3.704075|2.909851|2.625338|4.009738|4.606780|4.412237|6.810867|6.809292|7.943489|13.690646|36.858105| |2.491509|2.946505|2.964182|4.552518|4.416891|0.142293|4.260169|3.265959|2.949900|4.447373|5.072162|4.965077|7.283202|7.865359|6.891337|7.942552|13.769984|36.858105| |2.787994|3.366199|3.449634|5.635001|5.896072|0.192024|6.040486|4.251826|3.660211|5.322970|6.394870|7.453472|9.797125|13.782113|8.010115|6.908977|7.945351|13.681438|36.858105| |1.968716|2.254550|2.300360|3.388906|3.053906|0.091431|2.946142|2.418525|2.237405|3.492540|3.890763|3.358835|5.378114|4.586349|5.282433|8.156470|14.018148|7.862021|5.189746|73.516695| |2.002943|2.280670|2.271893|3.255191|2.868697|0.088028|2.680555|2.240153|2.128499|3.355870|3.594328|2.923406|4.649106|3.793798|4.012977|5.295162|8.001193|6.667714|4.509769|24.104495|36.858105| |1.777848|1.992529|1.994308|2.812685|2.406272|0.072109|2.255395|1.933277|1.856631|2.971079|3.139505|2.427052|3.945814|3.000780|3.243500|4.145266|5.260046|4.401219|3.357339|14.331303|12.626511|36.858105| |1.599100|1.766198|1.757570|2.478384|2.085686|0.062052|1.993326|1.737569|1.663109|2.687381|2.860465|2.152531|3.570001|2.598785|2.797558|3.471193|4.192938|3.625005|2.870687|10.528614|7.560510|13.734747|36.858105| |1.459139|1.596777|1.594230|2.229491|1.846090|0.054286|1.765583|1.561144|1.504507|2.452917|2.586650|1.888002|3.161221|2.221957|2.395652|2.887812|3.295473|2.895200|2.396710|7.648975|5.014344|7.890652|13.751712|36.858105| |1.454641|1.592802|1.601649|2.221505|1.829012|0.053410|1.730234|1.534135|1.491357|2.436698|2.534438|1.830230|3.053653|2.134778|2.309978|2.757515|3.070228|2.696025|2.272220|6.919777|4.452560|6.877703|7.995648|13.792600|36.858105| |1.582778|1.749802|1.771765|2.448359|2.029644|0.059291|1.889551|1.660861|1.623407|2.638184|2.717847|1.985878|3.272436|2.335366|2.536292|3.052455|3.410488|2.962972|2.484421|7.697329|5.022750|7.898226|6.884585|7.911949|13.778098|36.858105| |1.764588|1.978235|2.002202|2.787077|2.359281|0.069785|2.175232|1.876916|1.826536|2.934395|3.039165|2.299433|3.730635|2.783286|3.026247|3.764542|4.433117|3.757852|3.022890|10.643407|7.576355|13.706802|7.969375|6.869591|7.982705|13.760263|36.858105| |1.298657|1.406157|1.415635|1.951620|1.580201|0.045704|1.502931|1.353167|1.321993|2.181394|2.253829|1.577676|2.659833|1.796750|1.932928|2.237645|2.410421|2.163285|1.883724|5.136016|3.160302|4.215274|4.769552|7.032920|10.889024|7.025979|4.765672|448.794386| |3.529109|4.629457|6.084955|10.563281|12.436797|0.250230|7.406057|5.375462|5.471291|7.456954|7.254363|5.902151|7.885450|5.881515|5.046087|4.261449|4.035700|4.363957|5.270088|5.865143|3.062145|2.606260|2.214220|1.969784|1.984977|2.248455|2.630229|13.708034|36.858105| |3.071124|3.800816|5.100163|8.510508|7.485549|0.155782|6.092780|5.024973|5.055995|7.223082|7.143456|5.132770|7.493445|4.783258|4.519108|3.799980|3.419615|3.490960|4.055471|5.137377|2.648713|2.335204|2.015534|1.825490|1.856435|2.093984|2.392266|13.031507|13.668346|36.858105| |2.626521|3.138779|3.965719|5.965706|4.979706|0.116656|4.300600|3.704806|3.724438|5.677721|5.617319|3.981991|6.153761|3.974558|4.090174|3.663096|3.260023|3.167630|3.454830|5.083759|2.619831|2.377099|2.044219|1.875116|1.938716|2.213018|2.502124|13.682838|7.867233|13.770165|36.858105| |2.502902|2.983120|3.576084|5.130948|4.386535|0.110902|3.699188|3.131526|3.156561|4.874310|4.794498|3.551288|5.472637|3.828590|4.060653|3.918354|3.575967|3.376118|3.487725|5.727374|2.982227|2.736619|2.298846|2.108012|2.213714|2.593558|2.968663|15.435584|6.775925|7.925581|13.749563|36.858105| |2.738556|3.347096|3.889127|5.523864|5.001460|0.134360|3.962232|3.223999|3.263685|4.960255|4.842688|3.796060|5.639774|4.348117|4.453415|4.449337|4.312881|4.156985|4.188914|6.805224|3.617450|3.205708|2.607654|2.339036|2.441448|2.906362|3.466899|16.591671|7.951590|6.974804|8.043674|13.803222|36.858105| |3.261064|4.197926|4.945069|7.342404|7.511267|0.207208|5.199356|3.971976|4.044312|5.888194|5.705330|4.720826|6.582344|5.436186|4.982498|4.668949|4.680291|4.962352|5.392078|6.912368|3.688436|3.101586|2.546515|2.243190|2.281615|2.649706|3.188138|15.461354|13.780456|7.994408|6.880675|7.858760|13.731326|36.858105| |2.460907|2.923346|3.195214|4.387521|3.825481|0.108872|3.168982|2.646802|2.674828|4.173146|4.080481|3.128773|4.783408|3.682846|3.861922|4.213298|4.357163|4.052774|3.755153|7.473228|4.184725|3.852460|3.015787|2.711850|2.904893|3.623955|4.445170|19.322444|5.125492|4.551809|5.148094|7.802878|13.099317|7.789022|53.358707| |2.162954|2.505182|2.734161|3.741391|3.155976|0.088103|2.723021|2.334686|2.349429|3.730216|3.672007|2.722511|4.286238|3.135864|3.390738|3.740987|3.751476|3.381252|3.128446|6.732976|3.743196|3.691626|2.947681|2.737003|3.026197|3.848840|4.488454|20.480034|4.079089|3.910696|4.673977|7.071439|8.358892|5.416453|21.682775|73.516695| |2.551188|3.033084|3.172732|4.299825|3.759539|0.112853|3.091581|2.576278|2.612518|4.083528|3.970252|3.053030|4.640064|3.667016|3.715037|4.147884|4.672186|4.517613|3.988490|8.222435|4.990660|4.452979|3.366183|2.956996|3.133798|3.944349|5.090925|20.321061|4.673603|3.917201|4.099446|5.421785|8.355898|7.069826|21.638878|16.058400|73.516695| |17.697654|9.098912|6.915631|6.814096|3.790769|0.106512|3.213014|3.449146|4.664300|9.229566|5.398009|2.608930|4.123829|2.415045|2.107453|1.946080|1.996653|2.237377|2.498734|3.213748|1.824772|1.637566|1.481467|1.361729|1.361986|1.478177|1.633652|9.838918|3.251773|2.948927|2.541593|2.385127|2.542277|2.954902|3.096069|3.607135|4.121392|0.500000| |17.699737|9.095502|5.463834|5.874721|3.628387|0.110040|3.066110|3.127732|3.885823|7.050795|4.895700|2.565183|4.023960|2.456562|2.123132|1.993828|2.102584|2.410080|2.652918|3.402242|1.969995|1.751849|1.585891|1.447485|1.437062|1.554567|1.728584|10.313155|3.081219|2.681300|2.337982|2.266489|2.496742|2.935005|3.130912|3.613167|4.305116|0.288867|0.500000| |9.193359|17.655787|8.619942|9.179137|6.024073|0.208039|4.375687|4.058051|5.021263|7.899139|5.879587|3.502267|5.167031|3.440561|2.854010|2.651075|2.836670|3.378693|3.842515|4.440318|2.559773|2.197790|1.932869|1.728991|1.715384|1.888829|2.162069|12.028277|4.778603|3.728384|3.105605|3.038228|3.541714|4.576503|4.287215|4.710807|5.994074|0.173885|0.219353|0.500000| |5.985383|8.930866|17.534309|12.565939|6.989065|0.180582|4.637698|4.360205|5.830587|9.018672|6.171010|3.581218|5.300038|3.409035|2.973371|2.710240|2.737484|3.032384|3.432724|4.291085|2.395751|2.115360|1.843262|1.675253|1.699193|1.902247|2.156566|12.024381|6.933273|5.743827|4.582753|4.223060|4.665190|5.919098|5.091816|5.603892|6.510239|0.151885|0.129313|0.206656|0.500000| |7.274957|8.936604|17.632387|12.669001|5.618642|0.139990|4.376664|4.726504|7.451002|13.673790|6.875707|3.311537|5.090551|2.969776|2.583234|2.319678|2.312176|2.555212|2.933161|3.642563|2.018375|1.799556|1.602868|1.467808|1.478498|1.626257|1.813994|10.603901|4.878398|4.535922|3.652851|3.231958|3.362838|4.016489|3.820957|4.389477|4.890463|0.218503|0.143297|0.171988|0.301921|0.500000| |2.130801|2.476404|2.756044|4.521790|4.284092|0.110259|4.986476|3.851382|3.151764|4.715216|6.246393|7.128843|12.416128|8.943905|17.732024|8.946895|5.647949|4.962902|5.688434|7.587423|3.352489|2.845547|2.505283|2.197210|2.139378|2.334964|2.713144|14.646069|4.669532|4.568834|4.218618|4.013171|4.101967|4.387696|4.770673|5.654887|5.814701|0.055906|0.055235|0.072167|0.078031|0.069347|0.500000| |1.900820|2.183206|2.336622|3.577913|3.268140|0.090908|3.351970|2.718754|2.415393|3.731792|4.419938|4.094065|6.817557|5.610032|8.885464|17.725011|8.957839|5.664118|4.971421|13.430127|4.916843|4.182917|3.561569|3.022168|2.911937|3.215350|3.885814|19.014372|3.678418|3.449218|3.484003|3.784973|4.109246|4.028530|5.478149|6.693754|6.853992|0.049422|0.050261|0.065009|0.067880|0.058634|0.213763|0.500000| |2.506478|2.929962|2.844092|4.227712|3.923480|0.130083|3.686290|2.944988|2.739301|4.201569|4.613066|4.060678|6.113234|5.627219|4.963478|5.636372|8.883209|17.735293|8.915382|12.507969|7.281296|4.625451|3.835445|3.013424|2.766704|3.012062|3.830665|17.712764|3.799081|3.062434|2.804762|3.009856|3.706056|4.362705|5.118853|5.619753|7.793563|0.061923|0.068565|0.095087|0.080606|0.068191|0.107730|0.124264|0.500000| |3.130368|3.805111|3.746058|6.141604|6.267981|0.224019|6.323651|4.570451|3.998013|5.788328|6.786974|6.884439|9.132947|8.949948|5.674308|4.970484|5.659859|8.937130|17.713304|7.449221|3.904133|2.991238|2.605433|2.202206|2.089579|2.267078|2.713177|14.084014|4.981349|3.797391|3.173705|3.151346|3.746838|4.903813|4.581818|5.011550|6.437554|0.076590|0.083331|0.123853|0.100280|0.087393|0.124754|0.107835|0.216743|0.500000| |1.979665|2.232636|2.184243|3.128938|2.727979|0.084659|2.584333|2.181572|2.068201|3.277303|3.525432|2.818866|4.520597|3.601013|3.669364|4.600850|6.768694|6.482463|4.415716|16.520869|17.544398|8.898704|7.162834|4.732599|3.994756|4.212961|5.664944|23.566803|2.807495|2.425099|2.358002|2.615846|3.117414|3.273782|4.727191|5.544703|7.271718|0.049936|0.054668|0.069991|0.063040|0.054032|0.085615|0.116752|0.221079|0.109851|0.500000| |2.216795|2.559088|2.538273|3.595033|3.194114|0.100005|2.875277|2.381613|2.299686|3.605650|3.763675|3.053147|4.740642|3.951905|4.027543|5.065013|7.462198|7.021374|4.818739|16.558598|17.593758|8.912888|5.682517|4.219682|4.000400|4.738325|7.162731|23.593547|3.454545|2.906188|2.859846|3.312324|4.211462|4.358288|6.850251|7.584473|11.667138|0.055584|0.060412|0.080931|0.075319|0.061829|0.092951|0.126338|0.219404|0.117471|0.301061|0.500000| |1.581550|1.740659|1.721255|2.442751|2.055964|0.061401|1.990806|1.738731|1.652137|2.670889|2.877051|2.167902|3.619413|2.617738|2.789219|3.429541|4.185857|3.702208|2.921866|10.209636|7.006999|8.921038|17.707537|8.950939|5.677401|4.957267|5.656985|31.617293|2.141656|1.943128|1.944158|2.148767|2.426742|2.422375|3.709157|4.666723|5.381061|0.040659|0.043745|0.053013|0.049644|0.043628|0.069127|0.096230|0.110561|0.074086|0.215246|0.143993|0.500000| |1.362326|1.479713|1.473169|2.060718|1.692625|0.049616|1.633485|1.457245|1.402472|2.298578|2.431791|1.747309|2.953086|2.030421|2.177184|2.577477|2.892251|2.585211|2.178537|6.465109|4.085924|5.621552|8.886021|17.744471|8.926208|5.639009|4.952363|53.787625|1.787243|1.666419|1.704680|1.891030|2.072724|2.003744|3.204348|4.221914|4.513744|0.035431|0.037657|0.044321|0.042732|0.037879|0.055975|0.074853|0.074793|0.056114|0.112124|0.097104|0.215104|0.500000| |1.554099|1.713373|1.745394|2.392552|1.963431|0.056875|1.817380|1.608769|1.584872|2.586962|2.633413|1.890335|3.118107|2.189321|2.371865|2.791999|3.032245|2.671683|2.298039|6.516208|4.093784|5.626288|4.960395|5.639731|8.921554|17.747664|8.901608|53.716167|2.197699|2.073042|2.223882|2.630480|2.900879|2.586690|4.984783|7.224331|6.894478|0.040509|0.042273|0.050983|0.052396|0.044737|0.061450|0.081853|0.074742|0.058628|0.096962|0.112222|0.107637|0.124196|0.500000| |1.906182|2.160815|2.207346|3.057885|2.606434|0.077040|2.352956|2.013766|1.974931|3.155366|3.226980|2.458750|3.933378|2.984254|3.233839|3.982892|4.637056|3.963963|3.226876|10.381849|7.023238|8.902763|5.656204|4.950200|5.671683|8.950679|17.716585|31.599261|2.984634|2.694636|2.852286|3.498701|4.222824|3.752400|8.000026|10.527161|12.372784|0.048911|0.051490|0.065693|0.067016|0.055182|0.080230|0.112433|0.110240|0.080101|0.143484|0.214443|0.124195|0.107513|0.215422|0.500000| |3.056228|3.701495|5.053331|8.940836|7.001323|0.141110|6.511826|5.922390|5.876505|8.346450|8.437835|5.233723|7.939947|4.429881|4.111608|3.383733|3.032008|3.124447|3.695742|4.579014|2.361133|2.094127|1.838656|1.674003|1.692628|1.882856|2.124088|12.002153|8.944272|17.733925|8.931935|5.645238|5.006214|5.681710|4.930518|5.716534|5.724981|0.083289|0.073581|0.097940|0.146860|0.131487|0.119439|0.085945|0.076795|0.098459|0.061020|0.070838|0.049666|0.042825|0.051722|0.065320|0.500000| |2.384813|2.773104|3.459182|5.141731|4.071926|0.096441|3.730703|3.378684|3.382326|5.318710|5.303828|3.506957|5.659282|3.409831|3.565180|3.209761|2.836034|2.732289|2.958687|4.506870|2.323244|2.146845|1.876386|1.742224|1.805973|2.041403|2.263109|12.935399|5.617864|8.926791|17.723882|8.936208|5.692487|4.956557|5.674789|7.143743|6.048709|0.065200|0.059223|0.075159|0.107907|0.092027|0.105626|0.087013|0.067883|0.076194|0.058565|0.069265|0.049669|0.044319|0.057360|0.070614|0.215507|0.500000| |2.227621|2.590763|3.023664|4.251864|3.519015|0.090955|3.080060|2.679925|2.695974|4.263068|4.206146|3.017089|4.791427|3.256210|3.538829|3.538349|3.237639|2.988165|3.004070|5.392112|2.825891|2.684323|2.271060|2.118774|2.262335|2.668691|2.985489|15.959331|4.907067|5.631034|8.857737|17.787776|8.929036|5.619219|9.784523|14.103639|8.823537|0.059420|0.056667|0.073113|0.097502|0.077631|0.098568|0.098761|0.075104|0.075675|0.068599|0.085871|0.058401|0.052785|0.076676|0.097743|0.123895|0.213502|0.500000| 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