Version2.2 2021-02-10T15:28:59Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 04-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccccc1C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c5ccc(cc5)Cl C63569246 RHF 6-31G(d) (6D,7F) Cc1ccccc1C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c5ccc(cc5)Cl C01[X(C25H22Cl1N2O1)] 147 C1 483 Clc1ccc(cc1)[C@@H]1N(CCC2=c3c(=[NH+][C@H]12)cccc3)C(=O)c1ccccc1C Clc1ccc(cc1)[C@@H]1N(CCC2=c3c(=[NH+][C@H]12)cccc3)C(=O)c1ccccc1C Cc1ccccc1C(=O)N2CCC3=C4C=CC=CC4=[NH+][C@@H]3[C@@H]2c5ccc(Cl)cc5 InChIKey=YRLHMJPEKXCUGG-ZEQRLZLVSA-O InChI=1S/C25H21ClN2O/c1-16-6-2-3-7-19(16)25(29)28-15-14-21-20-8-4-5-9-22(20)27-23(21)24(28)17-10-12-18(26)13-11-17/h2-13,23-24H,14-15H2,1H3/p+1/t23-,24-/m0/s1 InChI=1/C25H21ClN2O/c1-16-6-2-3-7-19(16)25(29)28-15-14-21-20-8-4-5-9-22(20)27-23(21)24(28)17-10-12-18(26)13-11-17/h2-13,23-24H,14-15H2,1H3/p+1/t23-,24-/m0/s1/fC25H22ClN2O/h27H/q+1 Cc1ccccc1C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c5ccc(cc5)Cl C01[X(C25H22Cl1N2O1)] 147 C01 483 Clc1ccc(cc1)[C@@H]1N(CCC2=c3c(=[NH+][C@H]12)cccc3)C(=O)c1ccccc1C Cl[C]1[CH][CH][C]([CH][CH]1)[C@@H]1N(CCC2=[C]3[C]([NH][C@H]12)[CH]=[CH][CH]=[CH]3)C(=O)[C]1[CH][CH][CH][CH][C]1C C[C]1[CH][CH][CH][CH][C]1C(=O)N2CCC3=C4C=CC=C[C]4N[C@@H]3[C@@H]2[C]5[CH][CH][C](Cl)[CH][CH]5 InChIKey=VWQNYQQDHVZLIK-ZEQRLZLVSA-N InChI=1S/C25H22ClN2O/c1-16-6-2-3-7-19(16)25(29)28-15-14-21-20-8-4-5-9-22(20)27-23(21)24(28)17-10-12-18(26)13-11-17/h2-13,23-24,27H,14-15H2,1H3/t23-,24-/m0/s1 InChI=1/C25H22ClN2O/c1-16-6-2-3-7-19(16)25(29)28-15-14-21-20-8-4-5-9-22(20)27-23(21)24(28)17-10-12-18(26)13-11-17/h2-13,23-24,27H,14-15H2,1H3/t23-,24-/m0/s1 2800.4004530194 -1602.5750117 1-A 13281.0438 105 378 483 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.90985 -20.64613 -15.77141 -15.70827 -11.48074 -11.46367 -11.44982 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2.6013 2.1490 1.8995 3.0339 1.8281 1.7795 3.6508 3.7898 9.5425 8.3036 11.0153 10.2669 10.1028 10.2642 12.0878 27.4650 6.5206 6.5685 6.3583 6.8907 6.9772 6.9072 7.1099 7.1742 7.2752 7.3136 7.3574 7.3220 7.3951 7.3693 7.3839 7.4813 7.4252 7.4965 7.5038 7.5200 7.5682 9.5348 0.3973 0.7517 2.1902 1.8344 0.3881 0.0775 5.0317 1.4554 1.8942 1.9040 0.3409 1.3677 1.4927 2.2516 0.2453 0.3286 1.0608 0.2547 7.8569 2.9219 1.2368 1.1640 3.6512 3.3116 2.2717 0.3329 37.2927 4.3209 10.9036 52.5888 8.7725 1.9511 4.5773 33.9179 43.3132 9.1953 15.0166 3.1699 13.5021 13.9917 6.5124 2.9279 31.0827 6.8662 3.4592 4.7204 3.6819 23.0547 18.6753 62.5813 83.7839 34.7325 45.1468 50.3180 14.2427 5.2305 1.8851 12.0837 12.1430 3.7899 0.5673 9.4954 9.2313 46.2080 2.8264 4.9034 0.1458 1.6829 20.9150 3.8459 116.4454 0.3318 2.5717 29.5344 1.9999 6.8282 4.4371 4.1237 26.6231 102.4477 6.5518 3.6917 71.6466 2.6836 63.9989 29.8433 17.8916 3.2844 0.6818 33.0920 26.6920 10.1751 44.0271 142.5371 87.1396 75.8293 2.8041 129.9038 73.9528 13.6468 93.0722 16.3240 11.8660 72.7726 251.9950 2.6574 38.4090 33.8469 9.9262 4.4701 34.7387 26.5181 107.8970 29.0758 17.9646 17.6172 58.2538 3.7028 147.4819 4.3212 16.6599 16.5853 29.1989 510.9703 293.7748 3.6396 7.2768 29.3433 6.1643 34.7285 18.0996 13.8949 4.9289 5.8555 3.2166 4.9753 2.2822 21.3947 16.3546 1.9716 14.8019 0.0264 7.7866 0.2005 0.3476 1.3939 160.4178 9.0862 1.9810 1.1615 5.8806 3.2034 8.5223 1.5829 2.2101 1.3769 4.0872 0.4852 2.0399 2.4682 0.8892 1.2716 2.4571 4.1886 1.0909 1.4120 5.3607 2.1215 1.7833 1.4977 2.9118 6.2392 0.0507 4.0814 0.9728 3.1047 0.6513 3.4426 5.3514 3.4318 2.0535 2.3007 3.5323 6.3744 1.4791 4.1681 3.3467 5.5537 6.1202 8.5635 3.0608 18.3131 1.6733 5.6355 9.0396 5.0722 2.2048 5.5839 9.0556 7.3268 2.3459 2.9915 4.0549 1.8554 4.0436 4.3405 6.4147 1.7364 10.6240 21.2517 0.5023 1.0586 1.2943 1.6588 0.1670 1.0004 1.8287 15.1260 0.1645 19.5873 10.1118 2.8811 1.0052 10.2303 1.5991 5.3226 24.4168 18.6127 4.7923 3.1220 8.0264 5.9554 50.3255 56.0221 21.7409 6.0456 8.1753 31.2176 19.3212 10.9170 119.6875 3.8418 30.4717 2.2677 6.9920 34.9317 16.5115 7.1581 6.5452 22.6208 110.2812 39.8678 16.3873 48.9219 4.9028 9.0973 2.2624 86.4053 23.0912 122.4124 13.8267 14.1927 5.6723 1.6934 92.4113 16.0127 4.7975 23.5918 55.9086 65.9245 49.6433 37.3227 36.7914 196.7632 125.9126 61.0319 66.5631 57.0152 67.3000 25.5075 13.6667 56.9487 136.0110 118.9404 72.6387 50.5089 63.4545 252.5226 77.9178 29.7303 170.1051 115.7531 257.0678 62.6852 0.7481 0.7500 0.7405 0.7155 0.7003 0.7499 0.7192 0.7472 0.6186 0.6681 0.2975 0.6424 0.5853 0.1225 0.6761 0.4184 0.4784 0.3490 0.7473 0.6586 0.7324 0.4140 0.7441 0.4128 0.3098 0.4328 0.2882 0.4980 0.3025 0.6335 0.2707 0.3559 0.4415 0.7318 0.7373 0.4358 0.3620 0.5689 0.3724 0.5890 0.5321 0.2207 0.3913 0.2754 0.0555 0.2004 0.2852 0.2018 0.2236 0.5064 0.6824 0.2644 0.2679 0.3232 0.4887 0.7498 0.7442 0.6954 0.5915 0.5516 0.7500 0.2280 0.4082 0.7417 0.3959 0.0745 0.1851 0.5413 0.5210 0.6458 0.7348 0.7485 0.2541 0.0721 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1.00783 12.00000 1.00783 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 9640.1036 16168.9339 22891.1519 0.99961 0.02801 -0.00216 -0.02800 0.99960 0.00469 0.00229 -0.00462 0.99999 1 0.00898 0.00536 0.00378 0.18721 0.11162 0.07884 31.63 33.21 56.22 65.87 74.95 90.45 109.82 149.77 180.85 213.83 226.86 246.16 274.87 289.66 320.39 338.10 369.99 396.47 438.27 506.01 521.37 536.25 599.77 620.18 632.42 660.92 669.21 701.47 731.39 741.63 763.12 786.85 812.68 814.04 827.48 856.00 864.14 917.47 956.59 989.47 1001.08 1038.50 1069.66 1086.17 1137.16 1149.67 1176.79 1194.29 1214.47 1216.36 1230.90 1244.28 1273.73 1293.55 1349.20 1365.71 1371.50 1377.49 1400.36 1423.08 1436.56 1476.38 1518.84 1533.77 1570.28 1578.00 1579.73 1595.36 1599.90 1611.30 1628.56 1637.15 1657.20 1663.40 1664.57 1683.43 1706.10 1725.61 1744.75 1754.52 1770.37 1782.56 1807.72 1824.13 1827.93 1864.45 1874.43 1890.35 1894.36 1915.70 1918.93 1930.28 1962.94 1975.32 2001.53 2044.51 2056.90 2083.66 2101.40 2106.02 2154.62 2186.25 2192.28 2204.40 2228.26 2260.28 2262.37 2280.33 2300.67 2311.00 2312.41 2348.10 2349.30 2356.16 2384.03 2394.92 2414.31 2503.61 2534.68 2541.87 2547.46 2595.97 2600.58 2651.80 2781.39 4620.13 4628.74 4636.30 4719.90 4723.08 4739.11 4756.08 4815.12 4846.28 4850.34 4850.71 4855.30 4872.00 4876.28 4877.37 4890.94 4891.12 4903.12 4905.07 4905.67 4917.61 5565.02 0.445525 0.467840 0.468784 0.391467 -1602.129487 -1602.107172 -1602.106228 -1602.183545 2.593225D-04 MUNgauss RevisionA2.1 retrievium 10-Feb-2021 DUDE Cc1ccccc1C(=O)N2CCC3=c4ccccc4=[NH+][C@@H]3[C@@H]2c5ccc(cc5)Cl C63569246 RHF 6-31G(d) (6D,10F) C1 401.142066 |X|Y|Z| 66.286560 89.058304 30.913975 56.722006 26 6 7 24 2 |36.858105| |12.587882|36.858105| |7.605910|13.705236|36.858105| |5.020551|7.861979|13.758836|36.858105| |4.405140|6.774213|7.934369|13.760054|36.858105| |4.968111|7.854589|6.920473|7.991669|13.791465|36.858105| |7.431102|13.602103|7.979324|6.882118|7.895299|13.675173|36.858105| |6.363573|7.566664|5.051230|4.470411|5.059927|7.666742|12.734940|36.858105| |6.474050|6.416614|4.431223|3.815315|4.083260|5.484261|8.052822|15.882559|73.516695| |4.532069|5.197917|3.964821|3.755616|4.417543|6.439434|7.705546|13.659747|15.057602|53.358707| |4.072044|4.710642|3.820383|3.707928|4.343761|5.894834|6.374284|7.669217|9.697178|17.840904|36.858105| |3.935275|4.111186|3.367687|3.136748|3.413922|4.223919|4.845313|5.784912|8.441495|10.461021|12.285831|36.858105| |3.452228|3.437327|2.830542|2.633008|2.847565|3.481019|3.982941|5.115523|8.275166|9.253273|7.662992|12.775646|36.858105| |2.827547|2.775167|2.367188|2.224598|2.377571|2.799431|3.102368|3.770295|6.371497|6.333515|5.129203|7.314872|14.028469|36.858105| |2.466624|2.428555|2.134065|2.024761|2.141747|2.446317|2.647478|3.039822|5.109443|4.903795|4.136649|5.697854|7.417960|13.218516|36.858105| |2.137526|2.091465|1.862701|1.775563|1.868693|2.104111|2.254383|2.563126|4.404912|4.027869|3.249953|4.089961|5.133552|7.961837|14.192718|36.858105| |2.049966|1.991882|1.766876|1.682096|1.772898|2.003404|2.152330|2.487674|4.379999|3.877145|2.974653|3.564986|4.651845|6.889811|7.866798|13.178150|36.858105| |2.213066|2.141497|1.871480|1.772968|1.878937|2.155350|2.341115|2.789922|5.000751|4.382211|3.223479|3.791647|5.298308|7.661882|6.611135|7.709715|14.053927|36.858105| |2.618824|2.540838|2.170203|2.041002|2.180577|2.561842|2.834261|3.512112|6.240549|5.734068|4.178604|5.105970|8.445062|13.203262|7.641418|6.812880|8.072855|13.451110|36.858105| |2.902178|2.812619|2.351404|2.198258|2.366478|2.842605|3.202112|4.197503|7.722207|6.899462|4.541359|5.138268|8.304786|8.431217|5.288310|4.652088|5.254439|7.713386|14.473009|53.358707| |2.728035|2.629173|2.214954|2.074710|2.226479|2.650505|2.966036|3.849006|7.361916|6.029972|3.838890|4.117247|5.839993|5.914997|4.232369|3.948943|4.641209|6.814665|9.271679|26.007073|0.500000| |3.613371|3.548236|2.852708|2.634590|2.865872|3.582753|4.202564|6.011572|10.609264|10.759083|6.560917|7.418531|12.756020|8.194995|5.075458|4.100622|4.152003|5.197616|8.368000|17.938232|0.244154|36.858105| |4.227712|3.922347|3.062607|2.740291|2.907368|3.616271|4.481444|6.582142|12.905694|9.826594|5.751508|6.576952|9.055487|6.398179|4.388958|3.635740|3.677047|4.483325|6.490912|12.495356|0.206494|17.506535|0.500000| |3.680316|3.884595|3.105272|2.947004|3.354699|4.429106|5.032012|7.867492|12.758314|17.746851|7.721552|6.327178|7.482415|5.344212|3.873192|3.248788|3.270577|3.909301|5.363667|10.039240|0.177884|12.238285|0.250182|36.858105| |3.766659|3.891272|3.091026|2.902035|3.260681|4.256945|4.936711|7.874008|15.340410|12.714406|5.698217|4.872866|5.592797|4.356218|3.293244|2.862487|2.950030|3.549273|4.626238|8.851032|0.176596|8.986864|0.233024|17.712795|0.500000| |2.900692|3.128164|2.647657|2.615832|3.035085|3.849881|3.954124|5.217012|8.438806|10.409528|6.145039|4.965601|5.719696|4.731669|3.645428|3.163473|3.225966|3.812080|4.896975|8.341438|0.156306|7.222789|0.151955|12.517940|0.251326|36.858105| |2.534614|2.715740|2.362877|2.357420|2.707438|3.296178|3.311149|4.052121|6.517464|7.694435|5.589078|4.886413|5.703577|5.183383|4.142269|3.606105|3.626309|4.167147|5.200098|7.764717|0.140122|6.024684|0.126085|7.368677|0.156441|13.710148|36.858105| |2.169314|2.331653|2.085450|2.116142|2.428455|2.856525|2.782082|3.234003|5.291049|5.654548|4.156646|3.681814|4.077312|3.938633|3.423914|3.141901|3.196327|3.548007|4.030707|5.762878|0.110550|4.220291|0.095411|4.951043|0.117528|7.878977|13.751970|36.858105| |2.072593|2.241460|2.022607|2.072026|2.392039|2.790534|2.672879|3.068772|5.102555|5.130057|3.573793|3.092235|3.340382|3.171173|2.776828|2.589249|2.671457|2.977830|3.313905|4.909712|0.098634|3.616000|0.085300|4.423968|0.112662|6.835105|7.967927|13.784902|36.858105| |2.253420|2.451400|2.188524|2.237409|2.605257|3.097330|2.971180|3.480984|5.863985|5.721942|3.695978|3.102603|3.332905|3.050361|2.605358|2.405380|2.494337|2.834285|3.222872|5.031285|0.103545|3.818531|0.091808|5.040770|0.135928|7.869519|6.886351|7.935204|13.767173|36.858105| |2.669536|2.907353|2.513650|2.526050|2.955528|3.677132|3.639437|4.565814|7.677522|7.860266|4.598667|3.731054|4.068378|3.537299|2.888440|2.600273|2.688155|3.127325|3.741833|6.214348|0.126767|5.006351|0.118139|7.671480|0.209823|13.685118|7.991318|6.899490|7.979861|13.778569|36.858105| |1.753181|1.886542|1.742142|1.800001|2.051152|2.306126|2.187712|2.417979|4.068426|3.847033|2.750891|2.454452|2.600127|2.539701|2.324633|2.229102|2.300423|2.487629|2.641880|3.780228|0.076880|2.734827|0.066821|3.154157|0.082771|4.213666|4.777199|7.054812|10.986633|7.046912|4.779474|448.794386| |17.598247|8.855350|6.081736|4.374428|3.959818|4.488658|6.407765|6.080372|12.583048|5.816269|3.651735|3.496419|3.228083|2.683908|2.322626|2.043081|1.995206|2.180094|2.563149|3.940843|0.077265|3.537490|0.116695|3.645716|0.108334|2.873078|2.470402|2.126621|2.059025|2.269983|2.700665|13.997540|0.500000| |17.567215|8.779678|5.757462|4.223504|3.915715|4.567846|6.743626|6.707476|12.156527|6.773975|4.543740|4.691182|4.100238|3.286342|2.823966|2.408405|2.294254|2.484305|2.993085|4.505649|0.084820|4.229168|0.142880|4.070426|0.113140|3.106971|2.730008|2.294704|2.154710|2.320071|2.771598|14.498594|0.303634|0.500000| |17.598753|8.891435|7.367399|4.801869|3.980120|4.175731|5.556127|4.712579|8.425682|4.982386|3.450284|3.421330|3.008059|2.540027|2.274983|1.991788|1.900749|2.023165|2.347682|3.462713|0.066697|3.063929|0.097522|3.064866|0.086324|2.504485|2.240223|1.948614|1.863429|2.002961|2.322412|12.860666|0.301109|0.302118|0.500000| |7.115929|8.942167|17.722646|8.953425|5.654449|4.977105|5.663092|4.103577|6.746046|4.522989|3.236115|2.984882|2.556919|2.182167|1.993089|1.756011|1.666779|1.754637|2.010004|2.935850|0.056739|2.563820|0.077010|2.712508|0.075421|2.333821|2.109713|1.878449|1.821857|1.956797|2.220745|12.753519|0.160906|0.148888|0.228834|0.500000| |4.109057|5.621289|8.936129|17.723320|8.915970|5.667178|4.957284|3.570090|5.601744|4.234035|3.117617|2.712201|2.311522|1.993775|1.842368|1.632274|1.546318|1.617560|1.837054|2.665182|0.051601|2.297717|0.066052|2.531941|0.069366|2.296331|2.103410|1.918860|1.887097|2.019918|2.236617|13.392964|0.101932|0.097927|0.114605|0.216737|0.500000| |3.528812|4.901891|5.639530|8.893467|17.733619|8.923326|5.626400|4.125401|6.098317|5.212252|3.843822|3.046853|2.583753|2.199905|2.006430|1.766811|1.677859|1.768214|2.028091|2.970065|0.057305|2.586587|0.071679|3.029657|0.081517|2.857874|2.596832|2.386314|2.377534|2.570416|2.835851|16.647528|0.090284|0.089312|0.090627|0.124243|0.214080|0.500000| |4.054722|5.612135|4.976833|5.670917|8.946819|17.719103|8.910848|7.145360|9.181874|9.629285|6.366901|4.266295|3.595044|2.897323|2.515075|2.166751|2.072893|2.241126|2.670381|4.055237|0.077204|3.737629|0.100829|4.902498|0.128135|4.501509|3.796988|3.297721|3.255228|3.661511|4.376809|21.149859|0.105288|0.108024|0.095948|0.107936|0.124441|0.215566|0.500000| |3.329422|3.825246|3.271328|3.298901|3.938209|5.100475|4.995500|5.741285|7.863343|12.494523|17.626349|8.764180|6.700906|4.966952|4.131857|3.292177|3.011777|3.234385|4.105904|5.922478|0.103097|5.756979|0.133052|7.027415|0.143662|6.885461|6.952033|5.089778|4.191367|4.166104|5.024414|25.282046|0.084990|0.100428|0.080538|0.078146|0.079026|0.101656|0.164833|0.500000| |4.381602|5.459295|4.523637|4.482747|5.360376|7.319036|7.481407|7.237212|8.965699|12.445477|17.708302|8.843528|5.601494|4.119985|3.542731|2.851047|2.594924|2.754298|3.421573|4.969150|0.088546|4.919820|0.129017|5.632389|0.128490|4.731955|4.366516|3.507626|3.124663|3.242245|3.884203|20.069986|0.105238|0.131586|0.104213|0.103487|0.102386|0.128185|0.205200|0.304210|0.500000| |3.379187|3.552161|3.058730|2.912528|3.149321|3.720163|4.039213|4.455415|6.681167|7.602161|8.710707|17.591014|8.906142|6.790793|6.221301|4.335330|3.575214|3.611136|4.596942|5.879149|0.098346|5.485268|0.135896|4.835388|0.107867|4.222356|4.461129|3.523641|2.923758|2.845852|3.280262|19.112035|0.083356|0.108776|0.084645|0.076489|0.071422|0.079885|0.104797|0.214904|0.207248|0.500000| |4.742612|4.726004|3.759378|3.349379|3.503334|4.268573|5.234818|6.039230|9.008446|9.234428|8.809928|17.518584|9.057357|5.974786|4.895534|3.672347|3.242271|3.436249|4.477830|6.240170|0.105427|6.464844|0.184695|5.430873|0.125734|4.134090|3.913233|3.081400|2.683429|2.743413|3.283951|17.499102|0.112591|0.167565|0.113843|0.093379|0.079892|0.084823|0.113303|0.173530|0.219462|0.302245|0.500000| |2.492927|2.477718|2.201179|2.095755|2.207880|2.495091|2.679272|2.985963|4.920474|4.772225|4.228150|5.980711|6.553162|8.714768|17.743664|9.021954|5.587383|4.816561|5.495954|5.833810|0.098080|4.424827|0.109579|3.564876|0.084322|3.346940|3.773749|3.174873|2.602013|2.443522|2.691606|17.706568|0.064166|0.079150|0.064488|0.057197|0.053129|0.057516|0.070711|0.116961|0.103661|0.204124|0.143879|0.500000| |1.958537|1.921000|1.735531|1.662642|1.740213|1.931073|2.048514|2.278078|3.906285|3.522213|2.860394|3.514474|4.100875|5.629710|9.042925|17.756218|8.772063|5.586629|4.926190|5.017481|0.089909|3.354132|0.084627|2.772438|0.068768|2.727504|3.096948|2.790236|2.335717|2.160864|2.298112|16.554857|0.051882|0.060728|0.051293|0.045750|0.042809|0.045987|0.055032|0.080861|0.071462|0.106092|0.089375|0.215472|0.500000| |1.845796|1.792693|1.607579|1.536287|1.612525|1.801712|1.920619|2.187757|3.873678|3.351218|2.551843|2.971900|3.685123|4.962132|5.656990|8.801880|17.723028|9.092610|5.701601|5.712275|0.108492|3.398309|0.085686|2.792961|0.071408|2.793886|3.116744|2.854322|2.439039|2.271445|2.401222|17.337290|0.050147|0.056769|0.047945|0.042378|0.039508|0.042636|0.051706|0.072031|0.062969|0.083310|0.076338|0.124033|0.215660|0.500000| |2.078038|2.005166|1.760175|1.670179|1.767167|2.017179|2.183221|2.595453|4.737293|3.996300|2.857062|3.226583|4.298889|5.497815|4.817432|5.522025|8.948177|17.753220|8.755620|9.232631|0.192714|4.543569|0.112366|3.599162|0.094221|3.567351|3.797498|3.347700|2.904318|2.792822|3.043517|19.769591|0.057626|0.064045|0.052880|0.045993|0.042479|0.046352|0.058317|0.079687|0.068698|0.084684|0.082703|0.105244|0.123171|0.216844|0.500000| |2.560274|2.708323|2.354542|2.325862|2.630436|3.169328|3.243165|3.927109|6.281171|7.435553|5.986796|5.799249|7.143359|6.793877|5.324251|4.424440|4.279250|4.811420|6.239541|8.422314|0.141514|6.507446|0.132314|6.707840|0.139511|8.858524|17.748502|9.030164|5.689104|4.962070|5.651995|31.794854|0.068353|0.077963|0.063240|0.058756|0.057757|0.069597|0.098596|0.207036|0.127000|0.151546|0.122732|0.132399|0.102874|0.098834|0.115266|0.500000| |1.992132|2.127817|1.927307|1.958848|2.222876|2.557919|2.488556|2.822513|4.631707|4.806471|3.691331|3.411398|3.741207|3.783709|3.465367|3.251467|3.269950|3.493222|3.804282|5.137381|0.097978|3.679945|0.084678|4.035047|0.096928|5.620978|8.904681|17.749557|8.934120|5.649490|4.968263|53.889230|0.053941|0.058619|0.050289|0.048637|0.049820|0.061064|0.080596|0.124734|0.088503|0.094102|0.079648|0.089872|0.081495|0.082119|0.090932|0.218049|0.500000| |2.111307|2.295606|2.077456|2.137532|2.477086|2.882354|2.739682|3.126604|5.358319|4.880766|3.153443|2.679251|2.835475|2.616448|2.275019|2.125310|2.209138|2.486332|2.766944|4.282847|0.089662|3.229945|0.080326|4.122548|0.116255|5.616150|4.961651|5.648716|8.922096|17.752197|8.911093|53.762711|0.059606|0.059605|0.052490|0.051875|0.054071|0.068602|0.093634|0.096237|0.079181|0.068749|0.067282|0.059690|0.053644|0.056655|0.068937|0.107725|0.124301|0.500000| |2.838195|3.092298|2.651789|2.648625|3.090683|3.872783|3.883385|4.931935|8.650087|7.761761|4.269067|3.473018|3.718741|3.198404|2.624322|2.370699|2.454543|2.852649|3.389996|5.719968|0.119788|4.699015|0.117822|7.193554|0.233328|8.898091|5.663065|4.965410|5.677063|8.984022|17.711606|31.703725|0.081461|0.080567|0.067962|0.064881|0.064799|0.081567|0.126420|0.122234|0.103393|0.083899|0.087962|0.068368|0.058561|0.061350|0.077959|0.123869|0.107778|0.216513|0.500000| 1601.201987 -9335.289841 3517.836506 -186.724365 -4402.975713 2800.400655 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