Version2.0 2020-08-10T10:14:01Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 25-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@H]1CCCC[NH+]1CCCNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C3=O)C C49131967 RHF 6-31G(d) (6D,7F) C[C@H]1CCCC[NH+]1CCCNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C3=O)C C01[X(C20H27N4O4)] 159 C1 474 O=C(C(=O)NCCC[NH+]1CCCC[C@@H]1C)Nc1ccc2c(c1)C(=O)N(C2=O)C O=C(C(=O)NCCC[NH+]1CCCC[C@@H]1C)Nc1ccc2c(c1)C(=O)N(C2=O)C C[C@H]1CCCC[NH+]1CCCNC(=O)C(=O)Nc2ccc3C(=O)N(C)C(=O)c3c2 InChIKey=FNSVIOYOENLDAZ-ZDUSSCGKSA-O InChI=1S/C20H26N4O4/c1-13-6-3-4-10-24(13)11-5-9-21-17(25)18(26)22-14-7-8-15-16(12-14)20(28)23(2)19(15)27/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,21,25)(H,22,26)/p+1/t13-/m0/s1 InChI=1/C20H26N4O4/c1-13-6-3-4-10-24(13)11-5-9-21-17(25)18(26)22-14-7-8-15-16(12-14)20(28)23(2)19(15)27/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,21,25)(H,22,26)/p+1/t13-/m0/s1/fC20H27N4O4/h21-22,24H/q+1 C[C@H]1CCCC[NH+]1CCCNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C3=O)C C01[X(C20H27N4O4)] 159 C01 474 O=C(C(=O)NCCC[NH+]1CCCC[C@@H]1C)Nc1ccc2c(c1)C(=O)N(C2=O)C C[C@H]1CCCC[NH]1CCC[NH][C](=O)C(=O)N[C]1[CH][CH][C]2[C]([CH]1)C(=O)N(C2=O)C C[C@H]1CCCC[NH]1CCCNC(=O)C(=O)N[C]2[CH][CH][C]3[C]([CH]2)C(=O)N(C)C3=O InChIKey=CDEFGNPKCSPXBD-ZDUSSCGKSA-N InChI=1S/C20H27N4O4/c1-13-6-3-4-10-24(13)11-5-9-21-17(25)18(26)22-14-7-8-15-16(12-14)20(28)23(2)19(15)27/h7-8,12-13,24H,3-6,9-11H2,1-2H3,(H,21,25)(H,22,26)/t13-/m0/s1 InChI=1/C20H27N4O4/c1-13-6-3-4-10-24(13)11-5-9-21-17(25)18(26)22-14-7-8-15-16(12-14)20(28)23(2)19(15)27/h7-8,12-13,24H,3-6,9-11H2,1-2H3,(H,21,25)(H,22,26)/t13-/m0/s1/f/h21-22H 2434.5850206787 -1290.2335991 1-A 25603.3405 103 371 474 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.65396 -20.64542 -20.60944 -20.60759 -15.85164 -15.70562 -15.70318 -15.66124 -11.46837 -11.46396 -11.45090 -11.44406 -11.44056 -11.42326 -11.42283 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2.2734 1.8095 1.9123 2.3235 1.5398 2.2864 2.2826 1.0736 1.8011 2.0335 1.2125 3.2746 1.9047 1.7184 2.1913 1.5662 1.4520 2.6993 3.6413 2.8545 1.4366 1.6777 2.0708 1.7093 1.9747 1.5074 1.6019 1.4323 1.6758 1.7475 1.8426 1.9942 2.1182 4.0607 2.0354 1.8572 1.9726 1.9013 1.9713 4.1214 2.5594 1.6891 1.6980 1.7015 1.7334 1.6474 1.7396 1.7447 1.7649 1.7767 1.7682 1.7203 4.4710 3.4862 5.2704 9.5953 10.7112 20.4442 26.4959 30.4811 31.1883 6.4675 6.5127 6.5177 6.4897 6.4177 6.5736 6.4208 6.8240 6.8300 6.9285 6.8068 6.9043 6.9347 7.0494 7.0378 7.1292 7.1821 7.1622 7.3453 7.3419 7.2738 7.3611 7.4886 7.7281 8.6080 9.3674 9.4807 0.0621 0.3417 0.4885 0.8788 0.0815 1.2750 2.1387 5.2380 1.7233 1.0094 1.3981 11.0471 1.3395 0.2114 3.2263 6.9450 0.6197 0.8626 0.0687 0.3708 4.2310 2.5270 3.2686 4.2083 3.6964 0.3221 48.6171 9.3902 5.0052 36.8328 5.8681 0.9197 1.6322 1.6536 7.6299 19.4739 21.6927 19.9818 66.6304 6.4117 53.9912 5.1510 24.0405 5.5639 74.3459 9.0236 20.3756 0.1261 6.0047 6.4842 81.4372 17.4786 0.0418 9.0982 7.8409 3.4946 3.7962 13.1447 32.9660 12.8183 6.5789 2.8821 55.1684 11.0447 17.6935 9.0175 2.4904 27.8735 12.4659 0.0266 7.4042 40.9667 57.4739 9.7480 20.4695 5.9977 12.1800 22.0676 8.0871 19.0810 12.6296 2.8217 7.5787 1.9340 9.1772 53.4726 0.7308 2.2561 82.1701 227.7356 23.6857 4.5632 15.5993 22.5538 0.8637 10.4524 2.7769 0.2862 9.7535 8.5057 2.1807 33.4770 14.2344 0.8339 455.2574 81.2020 19.2437 22.9283 88.4114 33.5401 88.8101 320.0612 3.9213 2.7230 12.6834 15.3494 8.3733 2.7005 7.8053 4.9972 8.7536 2.9846 24.4496 77.3539 946.3052 49.6257 162.1189 11.4940 438.6162 60.1960 957.0726 136.6682 7.8611 8.4867 15.0350 14.4499 26.1174 27.8007 40.0516 4.5384 1.8843 8.8217 7.2061 5.7905 24.8164 5.4501 20.3472 8.3553 21.2765 17.0852 2.4516 8.8734 12.3317 7.3223 2.1725 7.3687 26.6024 85.7528 126.9867 3.3146 0.8259 1.6846 0.4259 0.5996 0.6255 0.1163 0.1264 0.3133 0.1789 0.2205 0.3857 0.1226 0.7920 0.5044 0.5462 1.4819 0.0458 0.0779 0.6516 1.3572 1.1629 1.2883 0.3651 2.1306 0.1588 0.5473 0.6585 0.4943 1.7205 2.7749 4.2679 0.1509 2.4794 3.4261 0.7917 7.0029 2.6963 1.4096 1.3703 1.0510 1.2061 0.7338 4.9454 1.0395 0.4324 0.1160 19.3661 6.5419 3.0061 4.7744 7.7161 1.4710 0.6114 0.7533 6.5288 2.4748 5.2359 1.2225 1.8234 0.6498 3.8739 3.5084 6.5147 1.6251 5.6101 8.4275 2.1320 2.4366 1.7706 4.2815 11.8130 5.1924 4.6849 6.8138 12.7666 10.7072 21.7671 3.3538 2.3708 2.4282 2.9610 16.6090 5.5299 4.7163 6.0145 1.4856 8.9599 2.8386 110.4274 19.1643 12.4718 4.8656 8.2468 3.7219 4.5935 15.2819 2.5854 15.3637 4.0024 1.4709 2.3247 2.0378 0.4496 11.6976 7.1702 9.2646 5.0930 3.6401 6.0837 25.7334 9.7263 0.7228 15.4213 16.9062 18.1991 19.1545 6.6349 10.6352 6.6767 19.8731 1.8629 7.2940 11.5798 7.6245 52.7769 116.6731 127.4360 0.5674 65.0911 9.9248 84.8508 43.9354 102.4054 69.0586 54.2951 70.2483 53.6582 136.8841 27.6341 62.9224 39.4984 24.4321 155.0326 69.1115 73.3937 114.5124 31.1286 75.1487 50.2913 48.3793 49.8174 76.5379 55.9973 106.4047 29.3282 17.9417 80.6735 35.3361 0.7500 0.7476 0.7488 0.7414 0.7499 0.7466 0.5688 0.7346 0.3341 0.2531 0.4415 0.7120 0.6444 0.7405 0.7281 0.5441 0.2855 0.6834 0.7451 0.7189 0.7421 0.5190 0.7199 0.4405 0.7497 0.5548 0.7342 0.1622 0.4372 0.6930 0.5373 0.1155 0.7311 0.4644 0.2965 0.4020 0.1347 0.7276 0.2263 0.4863 0.7221 0.5592 0.5931 0.1163 0.7378 0.4541 0.6754 0.1315 0.1695 0.1812 0.7500 0.3044 0.7499 0.7314 0.7189 0.1694 0.5603 0.1549 0.7495 0.6998 0.7352 0.4798 0.1300 0.0493 0.7488 0.7408 0.2664 0.3106 0.2879 0.7499 0.7246 0.4041 0.2257 0.1458 0.3566 0.6927 0.2323 0.4673 0.7261 0.7427 0.4503 0.7500 0.2228 0.1001 0.4499 0.1064 0.2242 0.7469 0.1680 0.2081 0.6141 0.6643 0.3140 0.1208 0.6024 0.5967 0.7496 0.6995 0.7330 0.5082 0.7405 0.6691 0.7223 0.7149 0.4005 0.5533 0.7488 0.5630 0.6020 0.7434 0.4242 0.1857 0.5668 0.7303 0.7500 0.6035 0.7499 0.7325 0.7098 0.6847 0.7392 0.7499 0.7144 0.3513 0.4652 0.3590 0.3730 0.5647 0.5543 0.2592 0.6660 0.1436 0.2233 0.1630 0.1801 0.1605 0.0428 0.0797 0.0313 0.7420 0.6888 0.4378 0.7393 0.0813 0.5431 0.5631 0.2615 0.4955 0.7497 0.6684 0.7325 0.3354 0.3959 0.4538 0.2334 0.2329 0.2273 0.1767 0.1371 0.8571 0.8555 0.8564 0.8515 0.8571 0.8549 0.7251 0.8470 0.5008 0.4039 0.6126 0.8318 0.7837 0.8509 0.8427 0.7048 0.4442 0.8119 0.8539 0.8365 0.8520 0.6834 0.8371 0.6116 0.8570 0.7137 0.8467 0.2791 0.6085 0.8187 0.6990 0.2071 0.8447 0.6342 0.4574 0.5734 0.2374 0.8423 0.3691 0.6543 0.8386 0.7173 0.7446 0.2084 0.8491 0.6245 0.8062 0.2324 0.2898 0.3067 0.8571 0.4667 0.8571 0.8449 0.8365 0.2898 0.7182 0.2683 0.8568 0.8234 0.8474 0.6485 0.2301 0.0939 0.8563 0.8511 0.4207 0.4740 0.4471 0.8571 0.8403 0.5756 0.3683 0.2545 0.5257 0.8185 0.3770 0.6370 0.8413 0.8523 0.6210 0.8571 0.3645 0.1819 0.6206 0.1923 0.3662 0.8551 0.2876 0.3445 0.7609 0.7983 0.4779 0.2155 0.7519 0.7474 0.8569 0.8232 0.8459 0.6739 0.8509 0.8018 0.8388 0.8337 0.5720 0.7124 0.8564 0.7204 0.7515 0.8528 0.5957 0.3132 0.7235 0.8441 0.8571 0.7528 0.8571 0.8456 0.8303 0.8128 0.8500 0.8571 0.8334 0.5199 0.6350 0.5284 0.5433 0.7218 0.7133 0.4117 0.7995 0.2512 0.3651 0.2803 0.3052 0.2766 0.0821 0.1477 0.0606 0.8519 0.8157 0.6090 0.8501 0.1504 0.7039 0.7205 0.4146 0.6626 0.8570 0.8013 0.8456 0.5024 0.5672 0.6242 0.3785 0.3778 0.3704 0.3003 0.2411 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 6 6 1 6 6 6 6 7 1 6 6 6 7 6 8 6 8 7 6 6 6 6 6 6 6 8 7 6 8 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 15.99491 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 1.00783 3214.8567 44101.5659 45302.9834 1.00000 0.00121 0.00113 -0.00124 0.99970 0.02442 -0.00110 -0.02442 0.99970 1 0.02694 0.00196 0.00191 0.56138 0.04092 0.03984 14.79 17.50 21.91 46.45 67.25 71.44 79.30 103.01 114.63 140.13 164.25 176.54 195.19 212.57 243.81 253.75 280.54 288.65 332.51 339.11 363.25 413.03 432.90 448.20 491.67 499.56 529.06 553.15 558.78 582.46 620.38 661.93 674.22 686.73 723.79 775.50 801.66 804.90 837.77 870.58 885.36 892.43 926.25 950.83 1050.85 1057.67 1083.58 1131.13 1156.38 1174.74 1199.66 1229.58 1252.01 1259.65 1289.59 1299.67 1302.98 1351.35 1371.55 1379.32 1429.67 1447.38 1455.40 1489.34 1514.08 1519.50 1538.39 1542.33 1571.92 1585.39 1589.42 1614.57 1629.75 1656.06 1682.18 1685.71 1713.06 1732.76 1742.24 1790.35 1809.86 1821.64 1839.46 1871.92 1881.93 1906.40 1942.15 1957.45 1963.02 1996.18 2029.31 2033.09 2042.08 2062.59 2070.27 2076.73 2100.15 2105.63 2137.40 2159.69 2173.88 2219.00 2222.36 2228.57 2241.11 2242.42 2266.78 2272.43 2282.07 2283.61 2296.60 2325.38 2337.86 2346.61 2352.03 2353.56 2356.39 2360.63 2366.49 2376.63 2382.21 2385.14 2389.84 2397.93 2466.60 2543.19 2612.06 2621.02 2800.17 2848.46 2879.97 2973.88 4604.01 4617.32 4621.21 4633.04 4635.11 4666.31 4672.12 4699.69 4707.98 4717.52 4718.94 4723.80 4728.23 4733.81 4750.13 4771.13 4772.51 4777.49 4833.01 4836.87 4838.95 4845.14 4900.61 4982.17 5297.33 5525.55 5554.97 0.503276 0.528912 0.529857 0.442051 -1289.730324 -1289.704687 -1289.703743 -1289.791548 2.944994D-04 MUNgauss RevisionA2.0 retrievium 10-Aug-2020 DUDE C[C@H]1CCCC[NH+]1CCCNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C3=O)C C49131967 RHF 6-31G(d) (6D,10F) C1 387.203231 |X|Y|Z| 153.421919 26.442986 36.947201 53.120214 22 6 7 18 4 |36.858105| |12.474221|36.858105| |8.833819|17.586934|0.500000| |7.556837|12.438138|0.245347|36.858105| |4.886897|7.454217|0.189373|12.485081|36.858105| |4.363768|6.434502|0.160741|7.628914|12.500121|36.858105| |4.923620|7.591741|0.196955|6.562924|7.582677|12.525035|36.858105| |7.528480|12.451614|0.254061|7.629286|6.447943|7.588645|12.614108|53.358707| |7.028468|9.250431|0.182324|7.162147|5.902063|7.129672|9.302014|25.682500|0.500000| |6.381843|7.513919|0.193550|4.930992|4.350825|4.950318|7.640198|17.207072|0.259013|36.858105| |4.379313|4.879995|0.126597|3.786908|3.576205|4.325231|6.266944|10.207808|0.197938|12.475008|36.858105| |3.685490|3.789058|0.102187|3.012436|2.825249|3.226254|4.249010|6.695587|0.130855|7.589014|12.409368|36.858105| |2.923574|3.023371|0.081552|2.543982|2.453810|2.830945|3.546132|5.183648|0.104847|5.017347|7.723758|13.208677|53.358707| |2.574281|2.736647|0.075364|2.354948|2.341765|2.724935|3.377969|4.625432|0.091800|4.242959|6.038692|7.854731|19.411082|36.858105| |2.600145|2.843752|0.080127|2.441342|2.476390|2.900376|3.666263|4.808774|0.092369|4.380345|5.909923|6.821720|11.511649|15.835796|73.516695| |2.163960|2.268134|0.062116|2.012447|2.011021|2.312612|2.729438|3.706464|0.075180|3.205096|4.210835|5.050813|10.812586|12.383135|14.084435|36.858105| |2.099281|2.158271|0.058401|1.926866|1.901861|2.166228|2.513106|3.489339|0.072125|2.986126|3.865022|4.653446|9.763630|8.036938|9.813019|15.900979|73.516695| |1.955689|2.073329|0.057460|1.866289|1.896407|2.174165|2.525764|3.332847|0.066902|2.803729|3.507551|3.963557|7.286955|7.976301|12.589096|14.233212|14.823438|53.358707| |1.712919|1.803323|0.049922|1.650462|1.681350|1.905244|2.153877|2.838754|0.057392|2.327418|2.804184|3.090078|5.342796|5.055101|8.301522|7.691974|11.411935|18.399417|36.858105| |1.591728|1.687319|0.047123|1.557585|1.603391|1.806305|2.019926|2.622819|0.052598|2.118985|2.480866|2.668543|4.366991|4.036089|7.183912|5.187841|7.821507|10.875124|13.633625|36.858105| |1.429167|1.505974|0.041993|1.404747|1.445604|1.612406|1.772406|2.308748|0.046523|1.839511|2.111690|2.248632|3.589269|3.148237|5.555345|3.899540|6.323937|7.056267|7.852561|13.764177|36.858105| |1.375801|1.436143|0.039768|1.343307|1.372272|1.524799|1.665741|2.195022|0.044628|1.745053|2.004158|2.143470|3.439884|2.926426|4.988595|3.706099|6.385788|6.243253|6.935515|8.072556|13.823356|36.858105| |1.451388|1.505437|0.041406|1.401349|1.420221|1.582986|1.738596|2.316601|0.047431|1.855687|2.162798|2.343359|3.858016|3.252640|5.324103|4.361036|7.928995|7.054641|8.093032|6.997529|7.949002|13.840700|36.858105| |1.619835|1.683059|0.046193|1.550105|1.565709|1.760906|1.964518|2.627693|0.053799|2.137535|2.555373|2.819429|4.851022|4.223610|6.644395|6.343114|11.579753|10.535636|13.665259|7.845585|6.719851|7.873786|13.840636|36.858105| |1.343194|1.381202|0.037833|1.294494|1.305594|1.443014|1.566526|2.103977|0.043356|1.670392|1.920421|2.068271|3.335165|2.696601|4.402542|3.443116|6.547030|5.141184|5.010985|4.538381|5.231459|8.202566|12.727944|7.339106|36.858105| |1.346752|1.374468|0.037451|1.288557|1.290969|1.423124|1.541639|2.090585|0.043354|1.659359|1.907598|2.060570|3.321295|2.615530|4.201770|3.312103|6.574052|4.688965|4.265559|3.720060|4.016294|5.483290|7.871831|6.132484|16.044051|73.516695| |1.239323|1.277569|0.035137|1.204645|1.220836|1.342249|1.445804|1.929808|0.039620|1.519412|1.721658|1.834059|2.892464|2.338294|3.915236|2.867001|5.272225|4.349874|4.140224|4.144503|5.224761|8.310356|8.296000|5.231215|13.781674|14.788090|53.358707| |1.246737|1.294712|0.035808|1.220451|1.245119|1.371488|1.480118|1.956958|0.039913|1.540330|1.741796|1.847822|2.902164|2.394167|4.092892|2.911248|5.150525|4.610899|4.520410|5.004603|7.303442|12.775598|8.189893|5.215637|8.270400|9.840471|18.696933|36.858105| |1.173296|1.220295|0.033853|1.155575|1.182885|1.296712|1.390841|1.831848|0.037263|1.432785|1.601906|1.686291|2.605462|2.138102|3.712716|2.521720|4.411656|3.966822|3.705256|4.254485|6.089751|7.890631|5.479188|4.004726|5.534094|7.474200|11.288393|16.043117|73.516695| |1.143301|1.172993|0.032217|1.112249|1.124812|1.227917|1.311389|1.756702|0.036157|1.373354|1.538182|1.628933|2.526937|2.002929|3.365442|2.384092|4.419208|3.514084|3.155771|3.155536|3.794007|5.141915|5.144238|3.807422|7.647070|11.752438|17.871015|7.590825|11.616217|36.858105| |17.598825|8.943321|0.206927|7.220375|4.649898|3.895832|4.115901|7.525602|0.145735|4.741968|3.515488|3.062413|3.418808|2.252251|4.058573|1.929193|3.335986|2.401428|1.563641|1.464577|1.325387|1.277524|1.341327|1.483925|1.248017|2.224465|1.576125|1.165152|1.957794|1.073591|0.500000| |17.625473|8.682542|0.215789|5.484307|4.029266|3.757549|4.440015|8.911295|0.163537|6.795606|4.558706|4.052939|4.245373|2.711972|4.857997|2.256075|3.886507|2.758807|1.765667|1.635788|1.463852|1.408064|1.487920|1.666600|1.373892|2.448703|1.721876|1.272727|2.126108|1.164828|0.304343|0.500000| |17.541058|8.757150|0.172987|6.651349|4.469242|4.182304|4.589016|9.466600|0.210982|5.915929|4.403380|3.691685|4.047712|2.575812|4.528760|2.189267|3.829070|2.666769|1.721265|1.587280|1.428357|1.384689|1.470350|1.643033|1.367375|2.451369|1.710438|1.256882|2.096736|1.161227|0.302953|0.299948|0.500000| |7.032758|8.980515|0.214320|17.584410|8.830351|5.533071|4.914345|7.581026|0.145217|4.102023|3.209089|2.670451|3.097236|2.116508|3.897576|1.829473|3.125276|2.323570|1.522522|1.444587|1.311083|1.255550|1.305559|1.434819|1.211559|2.145009|1.541043|1.146819|1.937067|1.049780|0.222525|0.145366|0.165516|0.500000| |7.018500|8.865552|0.173708|17.500938|8.827838|6.808802|5.711782|9.317581|0.209294|4.574352|3.694388|2.942632|3.428935|2.306961|4.175388|1.994709|3.436241|2.500635|1.632147|1.531101|1.385536|1.334120|1.399056|1.546883|1.299330|2.310970|1.641586|1.215376|2.041715|1.116298|0.184209|0.140642|0.201490|0.304266|0.500000| |4.488361|6.685756|0.199097|8.846173|17.530425|8.855477|6.788524|7.659087|0.135171|4.120815|3.362978|2.724303|3.218972|2.287653|4.369382|1.960134|3.268580|2.541317|1.656451|1.593159|1.436254|1.355353|1.393853|1.532494|1.277721|2.236397|1.632857|1.229518|2.083489|1.104647|0.121313|0.107337|0.109525|0.215423|0.173434|0.500000| |4.081061|5.468766|0.139541|8.858218|17.590107|8.840042|5.517918|6.608731|0.131559|3.533165|3.038130|2.466768|2.982670|2.102655|3.920975|1.841399|3.118167|2.378136|1.567762|1.501358|1.365030|1.300693|1.343167|1.469678|1.242363|2.186725|1.587402|1.187765|2.012103|1.079619|0.112152|0.094673|0.107572|0.211005|0.215798|0.303610|0.500000| |3.533209|4.843091|0.129682|5.521170|8.787300|17.576451|8.995824|7.568497|0.144943|4.135693|3.816128|2.945181|3.621010|2.634585|5.062258|2.264712|3.738807|2.952712|1.913628|1.835910|1.641863|1.542753|1.588299|1.757290|1.443430|2.515798|1.837554|1.387859|2.341753|1.233846|0.089823|0.087543|0.094001|0.123431|0.139101|0.214915|0.208682|0.500000| |4.164346|5.624429|0.132781|6.800201|8.824516|17.516452|8.877010|9.272689|0.208072|4.590904|4.229737|3.155957|3.837268|2.680573|4.948361|2.310361|3.901465|2.931268|1.898013|1.785314|1.600158|1.526058|1.594529|1.773550|1.461836|2.576862|1.844740|1.376420|2.307385|1.242648|0.103097|0.098759|0.117477|0.139298|0.198581|0.173466|0.215205|0.303989|0.500000| |4.609096|6.985253|0.215693|5.805818|6.822156|8.787367|17.604944|12.423926|0.182001|7.059197|5.596701|4.092319|4.628473|3.321197|6.635747|2.665716|4.303771|3.412680|2.136026|2.027879|1.775860|1.654018|1.711491|1.927524|1.535430|2.670731|1.938892|1.468036|2.462235|1.290643|0.109976|0.120323|0.113736|0.129956|0.133083|0.199497|0.139367|0.214274|0.173168|0.500000| |4.117353|5.564394|0.145018|4.914993|5.517286|8.838063|17.690188|12.337152|0.223057|7.205082|7.340788|4.699752|5.517756|3.927770|7.622323|3.124658|5.048693|3.914304|2.414914|2.244799|1.947277|1.824294|1.912273|2.184158|1.707508|2.979687|2.132343|1.605973|2.668436|1.410803|0.096363|0.106909|0.111182|0.108124|0.128013|0.139492|0.123619|0.214822|0.215708|0.301826|0.500000| |7.611802|7.169708|0.177845|4.678926|3.881162|4.144660|5.604390|12.404787|0.222454|17.684705|8.888258|7.123152|6.395955|3.829405|6.755283|2.988208|5.084915|3.527913|2.181978|1.978957|1.734416|1.661711|1.775933|2.036338|1.615141|2.874201|1.997378|1.477175|2.442267|1.333941|0.149174|0.253321|0.200633|0.112263|0.124152|0.101697|0.089986|0.096835|0.110290|0.145419|0.145539|0.500000| |5.671235|6.879613|0.209645|4.583339|4.207107|4.624458|7.075109|12.406740|0.181995|17.608338|8.768722|6.728471|6.284146|4.134373|8.009900|3.105931|5.039809|3.788709|2.308919|2.132689|1.846926|1.734279|1.825117|2.092646|1.634405|2.865133|2.036736|1.528846|2.539548|1.350860|0.124137|0.175180|0.136401|0.109898|0.112699|0.117242|0.094499|0.111574|0.113552|0.216447|0.179211|0.302163|0.500000| |3.764847|4.407389|0.118454|3.589397|3.598163|4.550666|6.773704|8.996241|0.168931|8.785786|17.641619|8.955489|9.829326|6.695524|12.922956|4.522314|7.019237|5.285867|3.043689|2.716030|2.278651|2.129753|2.277062|2.700959|1.992617|3.477379|2.439686|1.832953|2.999332|1.589719|0.086886|0.106522|0.103139|0.084549|0.095835|0.095375|0.085062|0.116223|0.120988|0.172436|0.251564|0.173837|0.213493|0.500000| |4.259313|4.608027|0.113707|3.760978|3.515089|4.301821|5.752732|9.481615|0.216152|8.817378|17.518768|8.849064|9.450976|5.329416|8.713427|4.043156|6.903466|4.534156|2.721367|2.385889|2.053924|1.976897|2.154370|2.539446|1.934405|3.449994|2.348841|1.729016|2.818893|1.548323|0.095468|0.118553|0.126344|0.087825|0.106680|0.088973|0.084632|0.104243|0.124191|0.133748|0.189424|0.208580|0.172724|0.301484|0.500000| |3.855645|3.719350|0.098458|2.950811|2.683769|2.976337|3.771690|6.253113|0.126170|6.816047|8.784224|17.596695|12.641477|5.825867|8.894743|4.311521|7.547472|4.652081|2.772615|2.400348|2.063437|1.997141|2.195251|2.607218|1.974418|3.540998|2.382451|1.744891|2.834294|1.569781|0.088710|0.120750|0.109861|0.073555|0.081260|0.071379|0.065674|0.074634|0.082002|0.099869|0.111394|0.209771|0.162309|0.174526|0.214167|0.500000| |3.567969|3.699527|0.104283|2.914212|2.755996|3.083908|4.072527|6.241138|0.116090|7.068062|8.833460|17.582933|12.556334|7.257992|12.824040|4.692349|7.406321|5.283360|3.029883|2.674407|2.246827|2.113602|2.276099|2.712277|1.998329|3.505325|2.436010|1.820954|2.972354|1.589005|0.083593|0.111613|0.095571|0.072840|0.077227|0.075640|0.066582|0.079191|0.081591|0.115127|0.121403|0.182076|0.204807|0.211622|0.173727|0.302257|0.500000| |2.727695|2.753901|0.073434|2.358669|2.257126|2.572938|3.114202|4.599886|0.095548|4.256015|6.036476|8.921848|26.006720|9.537663|10.899917|7.788068|15.236079|6.895747|3.895813|3.115006|2.605349|2.559604|2.939776|3.722009|2.580214|4.653432|2.999440|2.173240|3.441192|1.929912|0.065736|0.080478|0.078480|0.059053|0.065820|0.060038|0.056705|0.067138|0.072333|0.082063|0.097366|0.115785|0.107295|0.152721|0.168133|0.229669|0.184666|0.500000| |2.006858|2.156670|0.060426|1.935273|1.985850|2.285290|2.681521|3.474052|0.068689|2.926080|3.624141|4.015367|7.001846|7.985278|15.342518|9.655775|10.907177|25.982844|9.235739|7.598992|4.897844|4.097951|4.313486|5.719887|3.254652|5.264047|3.899569|3.102729|4.881925|2.354472|0.050286|0.057793|0.055260|0.049122|0.052404|0.054775|0.050565|0.063858|0.062058|0.075124|0.085072|0.073917|0.082313|0.115011|0.092965|0.093962|0.112959|0.127692|0.500000| |1.636954|1.751643|0.049320|1.613629|1.673412|1.888584|2.123800|2.723956|0.054071|2.201285|2.558892|2.726824|4.370441|4.114441|7.781337|4.882974|7.080190|10.101132|8.906227|17.705782|8.945427|5.704498|5.015548|5.613422|3.613401|5.469408|4.616808|4.038579|6.468447|2.704780|0.041838|0.046751|0.044999|0.041555|0.043734|0.046514|0.043370|0.053674|0.051340|0.059924|0.065586|0.056552|0.062340|0.079033|0.067285|0.067256|0.077240|0.084259|0.235206|0.500000| |1.357956|1.434684|0.040180|1.345107|1.390915|1.543406|1.684615|2.181786|0.043802|1.724748|1.950748|2.055788|3.207864|2.779326|5.015011|3.282141|5.321568|5.723587|5.598957|8.876046|17.742757|8.885642|5.643124|4.873916|4.267913|6.028803|6.198569|6.526207|11.217995|3.509287|0.035151|0.038571|0.037555|0.035004|0.036743|0.038568|0.036593|0.043896|0.042376|0.047165|0.051072|0.045145|0.048406|0.058532|0.052524|0.052525|0.057520|0.064174|0.115867|0.214422|0.500000| |1.683736|1.734463|0.047255|1.591864|1.593295|1.791588|2.003260|2.717767|0.056115|2.223513|2.687125|3.004992|5.292692|4.425060|6.626964|6.868275|14.838857|9.461431|8.812482|5.590277|4.879704|5.623295|8.906112|17.817892|6.588729|11.369983|6.233465|4.271820|6.030640|3.539373|0.042693|0.048187|0.047797|0.040857|0.044387|0.043055|0.041508|0.049217|0.050467|0.054111|0.061878|0.059350|0.059730|0.077550|0.075245|0.078224|0.078686|0.117671|0.142139|0.123367|0.106310|0.500000| |1.128464|1.151225|0.031621|1.088795|1.095488|1.190635|1.273786|1.718060|0.035359|1.348151|1.504964|1.606252|2.485781|1.951964|3.263051|2.314163|4.334238|3.359229|2.964747|2.913996|3.400493|4.453701|4.638937|3.583344|6.805760|11.626549|12.423131|5.933475|9.264129|17.618151|0.029462|0.032031|0.031853|0.028607|0.030363|0.029892|0.029186|0.033102|0.033452|0.034847|0.037920|0.036570|0.036839|0.042910|0.042052|0.043289|0.043585|0.053031|0.062427|0.070013|0.087286|0.094931|0.500000| |1.093551|1.124652|0.030981|1.069386|1.085072|1.181457|1.257571|1.677543|0.034425|1.306574|1.453390|1.531240|2.352888|1.870228|3.181900|2.191436|3.996137|3.259100|2.900143|3.000981|3.681559|4.771742|4.400174|3.347681|5.690710|8.658992|12.608921|7.421099|13.566675|17.666030|0.028603|0.030921|0.030759|0.028097|0.029745|0.029687|0.028978|0.033091|0.033120|0.034504|0.037474|0.035194|0.035852|0.041847|0.040479|0.040908|0.041729|0.049480|0.061662|0.072666|0.098535|0.085298|0.299546|0.500000| |1.137483|1.166816|0.031926|1.111004|1.123882|1.228520|1.305506|1.748603|0.036156|1.359414|1.523582|1.601170|2.479561|1.949945|3.265300|2.310140|4.319418|3.358124|2.963561|2.914399|3.402492|4.455654|4.634937|3.579866|6.789937|11.585734|12.418784|5.943441|9.290672|17.616389|0.029679|0.032078|0.032205|0.029102|0.031087|0.030556|0.030045|0.034286|0.034697|0.035520|0.039047|0.036694|0.036961|0.043679|0.042911|0.042960|0.043094|0.052795|0.062461|0.070025|0.087367|0.094785|0.300509|0.299557|0.500000| 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