Version2.2 2021-02-10T18:56:12Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 16-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(c(c1)N2CC[NH+](CC2)Cc3nc(nc(n3)Nc4ccc(cc4)Cl)N)F C19891090 RHF 6-31G(d) (6D,7F) c1ccc(c(c1)N2CC[NH+](CC2)Cc3nc(nc(n3)Nc4ccc(cc4)Cl)N)F C01[X(C20H22Cl1F1N7)] 147 C1 483 Nc1nc(Nc2ccc(cc2)Cl)nc(n1)C[NH+]1CCN(CC1)c1ccccc1F Nc1nc(Nc2ccc(cc2)Cl)nc(n1)C[NH+]1CCN(CC1)c1ccccc1F Nc1nc(C[NH+]2CCN(CC2)c3ccccc3F)nc(Nc4ccc(Cl)cc4)n1 InChIKey=MUXIELYISSZCBR-UHFFFAOYSA-O InChI=1S/C20H21ClFN7/c21-14-5-7-15(8-6-14)24-20-26-18(25-19(23)27-20)13-28-9-11-29(12-10-28)17-4-2-1-3-16(17)22/h1-8H,9-13H2,(H3,23,24,25,26,27)/p+1 InChI=1/C20H21ClFN7/c21-14-5-7-15(8-6-14)24-20-26-18(25-19(23)27-20)13-28-9-11-29(12-10-28)17-4-2-1-3-16(17)22/h1-8H,9-13H2,(H3,23,24,25,26,27)/p+1/fC20H22ClFN7/h24,28H,23H2/q+1 c1ccc(c(c1)N2CC[NH+](CC2)Cc3nc(nc(n3)Nc4ccc(cc4)Cl)N)F C01[X(C20H22Cl1F1N7)] 147 C01 483 Nc1nc(Nc2ccc(cc2)Cl)nc(n1)C[NH+]1CCN(CC1)c1ccccc1F Cl[C]1[CH][CH][C]([CH][CH]1)[NH][C]1[N][C]([N][C]([N]1)[NH2])C[NH]1CC[N@](CC1)[C]1[CH][CH][CH][CH][C]1F N[C]1[N][C](C[NH]2CCN(CC2)[C]3[CH][CH][CH][CH][C]3F)[N][C]([N]1)N[C]4[CH][CH][C](Cl)[CH][CH]4 InChIKey=JGAHSXQMEKOUQT-UHFFFAOYSA-N InChI=1S/C20H22ClFN7/c21-14-5-7-15(8-6-14)24-20-26-18(25-19(23)27-20)13-28-9-11-29(12-10-28)17-4-2-1-3-16(17)22/h1-8,28H,9-13H2,(H3,23,24,25,26,27) InChI=1/C20H22ClFN7/c21-14-5-7-15(8-6-14)24-20-26-18(25-19(23)27-20)13-28-9-11-29(12-10-28)17-4-2-1-3-16(17)22/h1-8,28H,9-13H2,(H3,23,24,25,26,27)/f/h24H,23H2 2683.2681021800 -1710.0926235 1-A 24926.3075 108 375 483 |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|A|A|A| -104.88711 -26.41349 -15.83371 -15.70204 -15.69848 -15.69081 -15.68088 -15.67091 -15.65892 -11.48339 -11.47790 -11.46387 -11.43546 -11.42926 -11.42599 -11.42004 -11.39421 -11.39294 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.01065 0.03784 0.03939 0.05433 0.05753 0.06694 0.07604 0.10082 0.12241 0.13181 0.13474 0.13797 0.14035 0.14794 0.15632 0.16048 0.16825 0.17776 0.18446 0.18644 0.19050 0.20265 0.20534 0.21046 0.21545 0.21670 0.21800 0.23609 0.24419 0.24606 0.24779 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3270.9741 3279.1912 3283.2279 3299.3191 3301.3453 3336.1419 3348.7368 3350.5309 3375.8838 3380.3136 3390.6705 3400.0585 3401.4819 3409.2877 3409.6697 3417.0761 3601.6744 3844.1790 3857.1013 3976.6488 6.9350 6.0675 4.7918 6.1147 6.9285 6.6156 3.4684 5.1725 4.6136 7.3292 7.7837 4.7728 6.8322 6.4307 8.6059 4.0816 2.0913 5.1434 6.6880 3.8190 2.4741 5.5107 1.1773 4.4847 3.6865 3.4265 4.5855 2.9748 3.0663 3.3108 5.1840 2.9121 4.1442 3.2517 2.9681 6.0470 1.1676 4.3036 3.5423 1.0757 5.6010 4.9755 6.2361 4.3074 4.0158 4.2756 5.2994 3.4147 4.1079 4.0145 11.3960 1.2664 3.6903 3.1367 2.3885 3.6040 3.0111 1.2605 2.0728 1.4641 2.2904 3.1070 4.1811 2.6599 1.3836 1.6102 2.1496 1.3695 3.5271 2.8695 2.4644 1.3251 1.9812 1.6020 3.7603 2.8210 2.0882 2.6739 2.9453 3.3369 1.7513 2.7199 2.2585 2.9361 1.1435 1.1516 2.0525 1.4856 2.6792 1.8014 4.7340 2.5056 2.1310 1.5676 1.3533 1.3276 1.3044 1.3689 1.4258 1.2996 1.8091 1.4105 1.7648 1.7022 2.7301 1.5875 1.9115 1.3460 1.1388 2.2292 1.1294 1.1024 1.0994 1.9209 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1.7741 1.7658 1.7650 3.0986 2.0949 4.3575 4.2415 8.0177 9.0431 8.4441 11.9604 9.0486 12.4998 4.6629 7.3054 6.4000 6.4202 6.6900 6.7326 6.7568 7.0074 7.0210 7.2924 7.3378 7.3254 7.3321 7.3300 7.4003 7.4315 7.4702 7.5027 7.5231 7.5438 8.2365 9.1144 9.4465 10.3183 0.5760 0.5571 0.5877 0.3794 0.4307 0.1587 2.3538 0.9147 0.6516 1.4199 2.3187 8.0856 5.2772 0.5549 1.8966 0.2498 0.2588 5.7018 4.0968 0.9445 0.9502 2.8902 278.7048 11.1670 1.5310 1.0802 6.9766 1.0623 8.4391 18.3250 0.7023 1.1274 3.5604 8.0162 10.0561 8.5970 81.6373 17.6903 2.4677 17.9913 8.7973 2.8978 0.7249 6.5479 8.4891 2.2810 6.0535 5.8873 11.7058 9.5755 0.4090 65.5989 8.0697 21.9088 12.9145 65.9418 27.3184 0.2320 56.7156 5.3460 14.1664 12.9279 18.0720 68.9002 1.0003 34.1688 51.6173 1.4037 20.8054 17.5657 7.6543 0.0742 8.2766 8.4760 1.9901 15.8343 1.1209 1.5259 6.3298 81.2263 20.5913 6.3592 4.4406 2.6723 1.0832 27.2538 17.3768 0.5317 24.9493 17.9803 20.5392 51.8575 63.4764 13.6231 21.5699 3.6710 12.1670 6.9570 25.1288 4.0675 2.8614 14.3520 186.9825 614.1392 191.0394 36.7455 12.2956 100.0121 11.1957 25.0244 14.7999 35.4621 3.8623 270.2976 78.9087 202.1789 15.0624 828.2185 792.8354 548.0932 7.5135 124.3141 1.5602 201.4043 684.2134 15.7915 34.0956 4.1708 2.2661 5.5958 11.1611 5.3078 6.2970 3.8513 4.5473 8.2295 0.4814 7.2864 3.6276 8.3957 2.2047 3.7945 4.5020 146.9498 146.4825 82.2573 103.7016 0.5921 3.8775 6.5276 2.4093 1.7805 2.0789 2.3508 0.9186 5.0066 2.0656 0.4571 0.4990 3.1432 1.4105 0.1642 1.5869 0.9397 1.1266 2.1514 0.9304 1.0855 2.0703 0.4230 1.7917 1.5265 0.0974 0.6526 1.6371 0.6892 6.3726 1.0971 2.1924 1.3280 0.2638 0.7060 5.1806 13.9468 3.5403 0.1755 2.3195 2.4740 1.8976 8.2057 2.2119 1.2332 1.3681 13.8639 27.3929 0.3800 2.0915 0.6524 0.5956 5.0053 6.4533 8.6997 2.8964 2.5287 2.7553 3.5539 1.9715 2.3580 1.7746 2.0551 9.4455 3.5169 5.1015 13.2608 0.2777 0.3646 3.4165 40.9068 0.0486 4.8587 2.3072 1.9833 4.2484 0.9540 6.6890 2.9788 20.6024 1.8533 4.8724 1.8725 1.4562 9.7728 4.8338 10.1904 1.4344 5.5104 13.3928 10.2837 30.9185 17.7722 1.0881 2.6398 1.8055 2.5865 5.7646 33.7935 3.3542 3.3766 0.3311 1.6710 4.4156 2.8611 4.3991 5.5343 15.1166 6.7684 2.4089 8.7113 5.9712 7.0356 17.0154 3.6741 0.9692 2.7489 8.0109 5.3792 7.8667 7.2144 61.2935 38.5830 35.3295 85.1114 18.1416 69.0863 19.6113 39.1076 131.5841 47.7072 134.3283 41.5563 32.7696 64.1628 60.2250 44.5130 83.4476 52.3431 71.4574 102.3875 239.3724 106.4626 55.1117 72.9963 92.1055 47.0650 0.7437 0.6988 0.7229 0.6681 0.7237 0.7140 0.7489 0.6991 0.7491 0.3356 0.2103 0.4883 0.4585 0.7495 0.6111 0.6809 0.7497 0.7310 0.7339 0.4862 0.7405 0.6446 0.4301 0.4257 0.7283 0.5455 0.5948 0.4823 0.1195 0.1936 0.5675 0.7200 0.5567 0.7166 0.6486 0.4103 0.3944 0.6061 0.7290 0.6456 0.1785 0.1811 0.6903 0.7186 0.3009 0.4352 0.1319 0.0583 0.5077 0.7214 0.5808 0.7342 0.4331 0.1592 0.1020 0.5824 0.3394 0.5964 0.1324 0.7274 0.6137 0.7496 0.5992 0.1855 0.6245 0.1410 0.2440 0.3206 0.7412 0.5554 0.2257 0.7481 0.2238 0.5372 0.5336 0.4642 0.6869 0.7137 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12.00000 12.00000 34.96885 14.00307 18.99840 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 2946.1705 45084.9832 46436.4253 1.00000 0.00016 -0.00196 -0.00013 0.99991 0.01345 0.00197 -0.01345 0.99991 1 0.02940 0.00192 0.00187 0.61257 0.04003 0.03886 16.55 22.40 34.13 44.78 55.60 77.99 105.14 123.16 144.36 205.00 206.71 268.63 274.15 286.95 305.13 334.81 387.85 392.45 408.57 426.82 473.84 492.06 501.59 542.01 565.37 607.93 632.47 663.40 671.79 707.97 726.09 745.57 780.28 799.47 813.91 876.22 881.55 887.45 901.08 907.88 934.55 954.71 994.33 1011.32 1022.42 1097.71 1112.32 1153.89 1183.55 1186.49 1206.74 1248.35 1266.62 1299.22 1318.25 1327.82 1337.35 1348.91 1387.32 1417.80 1450.46 1469.04 1527.59 1555.77 1560.99 1566.96 1577.97 1581.29 1603.64 1614.67 1618.87 1623.75 1637.87 1653.59 1689.91 1705.08 1718.22 1725.01 1741.02 1743.27 1756.12 1799.62 1816.82 1837.78 1872.83 1880.41 1900.36 1904.15 1912.21 1956.70 1967.58 1980.58 2008.61 2022.31 2034.48 2080.64 2094.44 2116.02 2132.31 2170.38 2187.58 2218.00 2232.26 2252.86 2256.99 2287.28 2303.89 2334.19 2336.54 2339.88 2349.22 2372.34 2375.00 2380.67 2393.01 2411.38 2411.91 2486.37 2537.52 2570.76 2572.04 2594.34 2612.50 2617.19 2643.05 4578.98 4587.70 4706.20 4718.02 4723.83 4746.98 4749.90 4799.96 4818.09 4820.67 4857.14 4863.52 4878.42 4891.93 4893.97 4905.20 4905.75 4916.41 5182.01 5530.92 5549.51 5721.51 0.446744 0.470030 0.470974 0.389412 -1709.645879 -1709.622593 -1709.621649 -1709.703212 2.735636D-04 MUNgauss RevisionA2.1 retrievium 10-Feb-2021 DUDE c1ccc(c(c1)N2CC[NH+](CC2)Cc3nc(nc(n3)Nc4ccc(cc4)Cl)N)F C19891090 RHF 6-31G(d) (6D,10F) C1 414.160925 |X|Y|Z| 24.212884 36.165278 151.763085 51.031088 26 6 7 20 6 |36.858105| |13.747542|36.858105| |7.924122|13.746462|36.858105| |6.947406|8.026808|13.849368|36.858105| |7.902963|6.837116|7.861495|13.747400|36.858105| |13.750363|7.942073|6.862774|8.025630|13.735905|36.858105| |5.128833|4.517575|5.095266|7.718898|13.315329|7.812810|53.358707| |4.108960|3.802508|4.348052|6.139432|7.838733|5.517794|17.880551|36.858105| |3.235429|2.965235|3.251123|4.185700|5.107448|4.153599|10.675566|12.528850|36.858105| |2.906961|2.711768|3.001589|3.827902|4.477342|3.640954|9.102492|7.698199|12.715288|53.358707| |2.778107|2.669273|3.031721|3.876778|4.266226|3.390625|8.151724|7.101190|9.222487|25.555096|0.500000| |3.236992|2.966155|3.251916|4.187264|5.111624|4.156777|10.694055|6.636974|7.716543|17.265882|0.259731|36.858105| |4.106120|3.800709|4.346944|6.138625|7.833017|5.512698|17.872223|7.921552|6.630215|10.473728|0.199107|12.538534|36.858105| |2.411168|2.251365|2.433422|2.948281|3.355370|2.911227|6.100408|4.981557|7.635540|17.407015|0.264246|7.671298|4.992900|36.858105| |2.136004|2.039176|2.223289|2.645492|2.881988|2.505053|4.953637|3.900326|5.068070|10.509108|0.219806|5.980850|4.265634|12.588438|36.858105| |2.172917|2.116876|2.359247|2.827732|2.981327|2.526717|5.052460|3.990218|4.791841|9.758273|0.253003|5.756827|4.487641|7.934461|14.483294|53.358707| |1.920849|1.892387|2.099228|2.448312|2.522200|2.181265|4.076119|3.146448|3.583086|6.489235|0.156224|4.244614|3.557186|5.272611|8.561089|19.253132|36.858105| |1.733473|1.697305|1.851781|2.121368|2.201829|1.951466|3.503878|2.674651|3.066003|5.325036|0.119094|3.582038|2.989469|4.609030|7.268985|10.981574|14.421927|53.358707| |1.732208|1.672653|1.801920|2.064565|2.188017|1.963871|3.520968|2.688262|3.190780|5.549027|0.117304|3.697199|2.964155|5.281443|8.585114|9.741847|8.510059|19.634805|36.858105| |1.900649|1.810902|1.944358|2.258735|2.450459|2.193169|4.063478|3.132962|3.929474|7.141877|0.143156|4.538449|3.410083|7.987935|14.674081|11.031784|7.159409|10.970366|14.090950|53.358707| |1.566900|1.510606|1.609163|1.815413|1.921855|1.757074|3.031821|2.295405|2.681561|4.429989|0.091438|3.034693|2.500413|4.095255|5.570332|6.494058|5.482966|11.267356|14.299865|11.434259|53.358707| |1.422364|1.382445|1.471095|1.638856|1.711582|1.573872|2.644818|1.992566|2.261365|3.631011|0.075929|2.531202|2.165665|3.168582|4.063591|5.164397|4.548685|9.032831|7.699296|7.124139|18.212993|36.858105| |1.311598|1.275913|1.351513|1.493856|1.556262|1.441844|2.382455|1.810321|2.046606|3.189183|0.066373|2.200025|1.911815|2.759663|3.359569|4.271914|3.614932|6.503124|5.378369|5.672101|10.739937|13.757979|36.858105| |1.209142|1.182146|1.249908|1.368992|1.414940|1.317195|2.137431|1.615709|1.793889|2.755254|0.057556|1.924982|1.707571|2.313923|2.743520|3.592413|3.036332|5.196253|3.995201|4.402048|7.026934|7.932004|13.761217|36.858105| |1.196610|1.174869|1.244236|1.358315|1.395626|1.298315|2.095056|1.568006|1.718259|2.651476|0.055718|1.883761|1.687905|2.182754|2.595194|3.481670|2.994006|5.079993|3.711386|4.065590|6.199233|6.902332|7.978780|13.783638|36.858105| |1.278383|1.255969|1.335136|1.463918|1.503599|1.391522|2.265470|1.680955|1.838181|2.887109|0.060971|2.077753|1.853819|2.366567|2.878056|3.912586|3.459784|6.036238|4.259949|4.505170|6.989516|7.947704|6.882313|7.921985|13.762698|36.858105| |1.400564|1.369303|1.460005|1.618292|1.675344|1.540110|2.561652|1.901780|2.111227|3.395018|0.071665|2.434622|2.122091|2.847312|3.609838|4.831159|4.385423|8.386805|6.062335|5.888871|10.582576|13.747574|7.941294|6.863824|7.963623|13.778720|36.858105| |1.085783|1.070592|1.130102|1.221547|1.246983|1.167244|1.848007|1.379290|1.490236|2.260967|0.047486|1.617128|1.475799|1.823280|2.106744|2.858295|2.405615|3.862840|2.782250|3.197757|4.380012|4.235899|4.776644|7.048277|10.965024|7.046522|4.774611|448.794386| |1.882845|1.888660|2.121599|2.451822|2.449705|2.106589|3.844424|2.951226|3.181990|5.457296|0.133946|3.693481|3.337043|4.063327|5.532007|11.332747|14.338724|11.422858|5.516399|6.499570|5.674271|3.805204|3.148351|2.774805|2.814038|3.251497|3.889189|18.729531|53.358707| |4.670553|5.302679|8.151927|14.251281|8.149740|5.306953|9.306512|6.257400|4.333841|5.616632|0.123338|4.334621|6.261115|3.129044|2.880156|4.355317|2.763827|3.180394|2.228661|3.287340|2.631321|1.747028|1.585248|1.450961|1.442601|1.560625|1.729640|10.380331|3.852226|97.533100| |17.738477|8.911092|5.640649|4.992184|5.635632|8.924184|5.671748|3.464969|2.865045|3.523937|0.068282|2.866358|3.462652|2.205788|1.960150|2.684953|1.759372|2.187103|1.615619|2.407389|2.008673|1.344463|1.245513|1.151602|1.139018|1.212707|1.323273|8.328340|2.338961|8.318490|0.500000| |8.910880|17.734660|8.940001|5.690420|4.934684|5.647116|4.900592|3.147025|2.546383|3.202810|0.064636|2.546978|3.145730|1.997870|1.831241|2.585110|1.720827|2.118408|1.531933|2.238517|1.898120|1.285886|1.192410|1.110912|1.106178|1.179165|1.277231|8.141348|2.349625|9.604563|0.214616|0.500000| |5.621701|8.834154|17.745093|8.982528|5.630254|4.949332|5.651316|3.741627|2.894441|3.702120|0.077770|2.894770|3.741229|2.242955|2.090052|3.054507|2.027765|2.434937|1.723963|2.500710|2.100852|1.422903|1.310577|1.218468|1.217044|1.304953|1.418823|8.916996|2.833718|16.728008|0.123607|0.213030|0.500000| |8.886785|5.640575|4.947896|5.695895|8.982491|17.731801|9.867692|5.253338|4.269903|5.048951|0.092847|4.274025|5.248081|3.025920|2.551886|3.418349|2.159507|2.659052|1.995560|3.068559|2.443008|1.597962|1.465324|1.333883|1.309471|1.400806|1.554720|9.426853|2.794125|9.625410|0.214225|0.123963|0.107485|0.500000| |3.746733|3.684070|4.448163|6.327062|6.724731|4.689222|12.212225|17.476578|8.865189|9.346759|0.206451|5.754164|7.021474|4.603653|3.859555|5.694512|3.322779|3.754519|2.698978|4.179788|3.111889|2.003576|1.819803|1.630641|1.588539|1.705407|1.923367|11.237450|4.367725|17.058440|0.087572|0.085735|0.110498|0.118844|0.500000| |4.339792|3.951884|4.365943|5.802150|7.337252|5.733667|12.495732|17.614555|8.987011|7.634386|0.144087|4.970677|5.712705|4.137429|3.294182|4.507806|2.704897|3.205247|2.382229|3.739215|2.825378|1.820236|1.675524|1.504850|1.456288|1.547402|1.733466|10.365630|3.480221|12.337966|0.102449|0.091097|0.103605|0.152713|0.302084|0.500000| |2.848087|2.667246|2.927717|3.642688|4.173773|3.495512|7.683310|8.811573|17.620642|12.377193|0.223078|5.623565|4.966846|7.105263|4.954111|6.403953|3.571332|4.178933|3.191018|5.303441|3.661022|2.275087|2.085055|1.824033|1.731793|1.834769|2.099119|12.058771|4.325381|8.698551|0.070950|0.064749|0.074082|0.098590|0.216229|0.211776|0.500000| |3.251939|2.883362|3.044419|3.796262|4.810043|4.218328|9.581894|8.821369|17.625747|12.409889|0.180681|7.019806|5.817872|7.021319|4.570286|5.571086|3.177537|3.841031|3.015137|5.107025|3.534190|2.185764|1.990303|1.744804|1.665300|1.773474|2.031859|11.619722|3.814495|8.384711|0.081682|0.069137|0.074628|0.127731|0.173390|0.216364|0.299631|0.500000| |2.847677|2.665777|2.925064|3.639090|4.172617|3.496067|7.686757|4.967063|5.628335|12.374825|0.227077|17.642725|8.803533|7.177871|6.730906|9.069238|4.967224|5.656112|4.238455|6.957336|4.629114|2.814615|2.387819|2.080024|2.054207|2.305508|2.745219|14.014145|5.750217|8.685390|0.070952|0.064713|0.074002|0.098664|0.129315|0.109175|0.126852|0.143701|0.500000| |3.260831|2.889718|3.050884|3.806454|4.829851|4.234498|9.644659|5.850703|7.047200|12.412754|0.182057|17.630243|8.840785|7.040649|5.208105|6.330899|3.615409|4.370772|3.433073|5.814776|3.966377|2.427406|2.130350|1.864725|1.815264|1.987136|2.317203|12.550419|4.269142|8.402316|0.081885|0.069265|0.074753|0.128298|0.133663|0.131360|0.143847|0.211794|0.299139|0.500000| |4.335550|3.949790|4.365709|5.803820|7.333362|5.726220|12.495591|5.713562|4.965135|7.629839|0.145303|8.990904|17.614278|4.147672|3.684951|5.197855|3.179878|3.740848|2.731721|4.196145|3.201143|2.061151|1.819611|1.638089|1.631406|1.797645|2.044583|11.521559|4.104832|12.352328|0.102343|0.091053|0.103619|0.152470|0.143045|0.127911|0.109127|0.130640|0.211692|0.216367|0.500000| |3.742753|3.680432|4.444007|6.320555|6.716063|4.683716|12.204920|7.021276|5.756024|9.351054|0.208918|8.861423|17.481730|4.616045|4.242535|6.561280|3.862168|4.270961|3.001997|4.562541|3.409889|2.194148|1.931148|1.732648|1.723549|1.901678|2.171395|12.113776|5.131665|17.057545|0.087489|0.085661|0.110419|0.118724|0.206138|0.143004|0.129524|0.133248|0.215486|0.173489|0.302041|0.500000| |2.289027|2.144644|2.309299|2.763572|3.110302|2.731137|5.489953|4.770835|7.515929|12.350060|0.211620|5.642866|4.179442|17.611626|8.981926|8.769503|4.645774|5.676028|4.767990|9.269179|5.236605|3.024808|2.717382|2.279134|2.118358|2.252407|2.669850|14.284538|5.031480|6.589781|0.058492|0.053183|0.059446|0.078798|0.123698|0.115136|0.230520|0.193560|0.143390|0.149475|0.097517|0.109311|0.500000| |2.398131|2.201714|2.332237|2.787540|3.237193|2.902492|5.800930|4.448026|6.451367|12.273835|0.184252|7.382908|4.712958|17.660351|8.854546|8.032186|4.401339|5.579880|4.885617|10.037689|5.464639|3.096213|2.703434|2.269305|2.139473|2.316543|2.782658|14.375696|4.734166|6.454737|0.061685|0.054428|0.059314|0.085955|0.110157|0.106015|0.159055|0.190498|0.192955|0.222629|0.114183|0.115710|0.301613|0.500000| |1.557982|1.490577|1.575368|1.774081|1.896920|1.750686|2.997353|2.269054|2.682532|4.361229|0.087630|2.986361|2.440018|4.129776|5.244370|5.797487|4.529823|8.196268|9.683271|11.053635|26.017664|9.151021|7.048933|4.726994|4.049919|4.343012|5.935210|23.840405|4.805260|4.203238|0.040953|0.038232|0.041777|0.050115|0.061928|0.057439|0.074728|0.073555|0.091327|0.081644|0.063936|0.066777|0.109349|0.116933|0.500000| |1.312356|1.272283|1.344340|1.487326|1.556694|1.445631|2.390526|1.833788|2.095407|3.227695|0.066635|2.191661|1.896278|2.836856|3.382262|4.196921|3.429406|5.948937|5.134925|5.759995|9.887094|8.920071|17.718734|8.932906|5.666157|4.956984|5.647630|31.628489|4.022352|3.539426|0.034664|0.033006|0.036124|0.040957|0.050985|0.047394|0.059882|0.056905|0.065156|0.059369|0.049856|0.052865|0.079286|0.077354|0.202751|0.500000| |1.144852|1.119662|1.180297|1.286866|1.328666|1.242432|1.996613|1.514653|1.676588|2.537120|0.052831|1.766368|1.578673|2.118428|2.453934|3.209246|2.655721|4.383464|3.374576|3.874685|5.697784|5.643287|8.908949|17.754545|8.925817|5.642683|4.950141|53.798934|3.340555|3.059003|0.030373|0.029309|0.032000|0.034969|0.042430|0.039470|0.047594|0.045456|0.052430|0.047758|0.042078|0.044398|0.058656|0.057813|0.111092|0.215040|0.500000| |1.254192|1.236968|1.315109|1.434854|1.465507|1.358212|2.190228|1.612429|1.741091|2.724874|0.057691|1.987869|1.797496|2.189977|2.628108|3.635008|3.196803|5.334385|3.661855|3.998359|5.659120|5.650064|4.959610|5.645618|8.927415|17.752547|8.920620|53.869437|4.225533|3.441707|0.033067|0.032348|0.035826|0.037853|0.045551|0.041258|0.048008|0.046616|0.061387|0.052711|0.048792|0.051444|0.057589|0.059607|0.099969|0.107639|0.124261|0.500000| |1.484054|1.451649|1.552800|1.728116|1.788803|1.636653|2.742777|2.012499|2.222123|3.636985|0.077086|2.662303|2.313361|3.010821|3.876867|5.293725|4.896301|9.284710|6.331192|6.177461|9.668615|8.918985|5.650579|4.950951|5.662250|8.940736|17.764495|31.635755|5.908676|4.166942|0.038824|0.037510|0.041869|0.045798|0.056572|0.050516|0.060603|0.059170|0.085279|0.069774|0.062250|0.066046|0.076569|0.081761|0.151977|0.124219|0.107539|0.215218|0.500000| |2.006724|2.034172|2.322798|2.708391|2.656832|2.245082|4.152509|3.213462|3.362699|5.690167|0.145233|3.833913|3.609395|3.978962|5.042991|10.448783|9.415376|8.160250|4.474934|5.672355|4.756577|3.189128|2.720394|2.431147|2.457442|2.784971|3.236581|16.763666|26.107285|7.237005|0.050427|0.051439|0.063694|0.060015|0.099983|0.076638|0.093168|0.080581|0.118988|0.088632|0.089260|0.117692|0.101124|0.093591|0.085050|0.072043|0.060732|0.074725|0.099078|0.500000| |1.724828|1.736023|1.935732|2.197766|2.183551|1.906186|3.358708|2.558940|2.732677|4.527560|0.107077|3.123491|2.864616|3.419036|4.499259|8.122064|9.468665|10.571330|5.063494|5.681734|5.546424|3.951386|3.281562|2.956028|3.064705|3.586686|4.200263|20.418327|26.063246|5.642589|0.044035|0.044465|0.053137|0.051662|0.076675|0.062729|0.076159|0.068097|0.098223|0.075678|0.073446|0.088622|0.088077|0.083737|0.094614|0.083790|0.072147|0.096154|0.129569|0.307946|0.500000| 1708.372002 -9360.468374 3454.545521 -195.810119 -4393.360971 2683.268295 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