Version2.4 2021-05-30T11:21:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@H](Cc1ccccc1OC)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cccc(c4)Br C39686446 RHF 6-31G(d) (6D,7F) C[C@@H](Cc1ccccc1OC)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cccc(c4)Br C01[X(C26H33Br1N3O3)] 192 C1 576 COc1ccccc1C[C@@H](NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cccc(c1)Br)C COc1ccccc1C[C@@H](NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cccc(c1)Br)C COc1ccccc1C[C@H](C)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cccc(Br)c4 InChIKey=OXBFHUQCMPWIHS-AVRDEDQJSA-O InChI=1S/C26H32BrN3O3/c1-18(14-19-6-3-4-9-23(19)33-2)29-24(31)22-16-30(17-26(22)10-12-28-13-11-26)25(32)20-7-5-8-21(27)15-20/h3-9,15,18,22,28H,10-14,16-17H2,1-2H3,(H,29,31)/p+1/t18-,22-/m0/s1 InChI=1/C26H32BrN3O3/c1-18(14-19-6-3-4-9-23(19)33-2)29-24(31)22-16-30(17-26(22)10-12-28-13-11-26)25(32)20-7-5-8-21(27)15-20/h3-9,15,18,22,28H,10-14,16-17H2,1-2H3,(H,29,31)/p+1/t18-,22-/m0/s1/fC26H33BrN3O3/h28-29H/q+1 C[C@@H](Cc1ccccc1OC)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cccc(c4)Br C01[X(C26H33Br1N3O3)] 192 C01 576 COc1ccccc1C[C@@H](NC(=O)[C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cccc(c1)Br)C CO[C]1[CH][CH][CH][CH][C]1C[C@@H]([NH][C](=O)[C@@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[CH][CH][CH][C]([CH]1)Br)C CO[C]1[CH][CH][CH][CH][C]1C[C@H](C)NC(=O)[C@@H]2CN(CC23CC[NH2]CC3)C(=O)[C]4[CH][CH][CH][C](Br)[CH]4 InChIKey=UQCCSACDYWBBDF-AVRDEDQJSA-N InChI=1S/C26H33BrN3O3/c1-18(14-19-6-3-4-9-23(19)33-2)29-24(31)22-16-30(17-26(22)10-12-28-13-11-26)25(32)20-7-5-8-21(27)15-20/h3-9,15,18,22H,10-14,16-17,28H2,1-2H3,(H,29,31)/t18-,22-/m0/s1 InChI=1/C26H33BrN3O3/c1-18(14-19-6-3-4-9-23(19)33-2)29-24(31)22-16-30(17-26(22)10-12-28-13-11-26)25(32)20-7-5-8-21(27)15-20/h3-9,15,18,22H,10-14,16-17,28H2,1-2H3,(H,29,31)/t18-,22-/m0/s1/f/h29H 4130.6801828054 -3961.4547195 1-A 17881.3072 134 442 576 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.14208 -64.55311 -58.69212 -58.69020 -58.69018 -20.65988 -20.63145 -20.62539 -15.85361 -15.69045 -15.67723 -11.45393 -11.45154 -11.44413 -11.43790 -11.38181 -11.37934 -11.37831 -11.37156 -11.37144 -11.36800 -11.36281 -11.36273 -11.34873 -11.34566 -11.34119 -11.33988 -11.33453 -11.33075 -11.32619 -11.30695 -11.30565 -11.30430 -11.30390 -11.29781 -11.29225 -11.28444 -9.80073 -7.54981 -7.54087 -7.54084 -3.28879 -3.28445 -3.28441 -3.27402 -3.27401 -1.50017 -1.49207 -1.48833 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4.7508 11.5911 34.8671 13.4547 20.5499 75.8733 4.5990 478.0095 45.2899 11.0784 9.2587 32.0978 112.5408 228.4537 397.7151 2.7187 7.4563 54.2656 46.0384 37.8890 14.7006 28.6527 14.8755 4.0521 6.8201 13.4419 45.8900 7.1163 5.1022 14.0821 27.7967 15.4187 4.6955 6.3216 30.5742 18.1570 5.8698 6.1393 8.7655 4.9127 11.0891 0.6509 8.3629 3.6485 1.1444 66.8463 83.7567 31.3723 1.7549 0.7768 2.7419 0.6258 1.1099 3.2470 2.3449 0.7422 1.1454 0.4436 2.9409 0.3799 1.1993 1.1704 3.1670 1.9904 1.2846 0.4707 2.9520 0.4766 2.2349 1.4252 0.4795 0.3134 0.2984 0.3723 3.9436 1.7943 3.2983 1.6402 4.5944 2.0214 0.7447 0.8531 0.9927 0.7988 0.5848 0.5416 1.3436 0.5030 0.9490 0.4236 1.1109 1.4347 3.4119 0.4043 0.7468 1.2517 3.7362 3.7996 1.7767 5.9682 3.8010 1.2336 2.6968 5.9800 1.2063 10.1559 5.9300 5.1307 3.8736 0.6554 1.0612 2.4769 2.5187 1.5044 1.0500 5.3169 0.7754 3.8665 0.8041 3.4804 3.9876 4.1486 5.8200 3.5054 7.0420 2.4029 1.5787 2.1709 27.4220 5.0166 3.1287 1.6832 0.6969 4.0275 4.6898 0.3718 8.3750 3.9774 5.4127 6.1539 4.9648 2.6685 5.1202 2.2040 6.4837 11.5725 5.0868 2.4635 5.6471 4.8490 4.5124 6.6904 1.2072 6.9427 0.8957 2.0306 2.9398 1.1365 4.1620 3.7974 11.8544 4.7807 5.7130 8.8292 7.6061 5.7259 2.5205 2.0715 19.4662 3.3863 1.2459 11.2977 1.4284 5.0244 4.8628 3.4810 1.5704 3.8678 5.0381 1.9345 1.4649 0.4684 2.8422 0.6048 4.4453 1.4892 20.3413 18.3990 10.3268 1.4770 10.7539 1.4635 5.3044 22.2807 9.2666 4.2299 9.6082 4.9218 8.7428 1.1840 6.0662 6.6107 45.4031 26.5114 5.4094 2.3244 30.0191 15.7282 8.0770 116.6507 75.0383 120.4618 76.3913 52.2276 42.3425 29.2166 121.9697 93.8783 48.6503 107.4587 44.1399 24.2849 68.5394 26.2258 41.3065 73.2342 94.2309 45.4092 28.8191 42.0677 50.3777 71.1701 95.2461 69.6343 144.9159 120.8367 34.3829 64.2566 65.1975 22.2021 0.7014 0.7489 0.7499 0.7023 0.7294 0.7456 0.6886 0.6494 0.6509 0.7391 0.7498 0.3618 0.7146 0.7499 0.7486 0.6747 0.7307 0.2650 0.6824 0.6887 0.4976 0.7377 0.7236 0.5581 0.6760 0.6395 0.1070 0.7339 0.3063 0.4806 0.2038 0.2761 0.2418 0.4764 0.3202 0.6809 0.7176 0.4864 0.7421 0.7473 0.4768 0.6947 0.7464 0.6769 0.2586 0.3825 0.2195 0.7475 0.4452 0.1346 0.5477 0.1280 0.2212 0.7432 0.0593 0.0776 0.7387 0.0845 0.1505 0.1071 0.3568 0.3755 0.5095 0.7473 0.3953 0.2204 0.4159 0.0427 0.5967 0.0940 0.5091 0.4782 0.7040 0.7111 0.6460 0.7227 0.7194 0.4960 0.7432 0.5961 0.1093 0.1387 0.7492 0.6456 0.2959 0.4356 0.5931 0.3166 0.1750 0.2478 0.3514 0.5603 0.1423 0.7466 0.4395 0.5419 0.2056 0.6186 0.4270 0.7498 0.1689 0.7431 0.7471 0.3969 0.6934 0.2870 0.1499 0.6022 0.6531 0.6965 0.7500 0.3765 0.2347 0.7496 0.5341 0.1730 0.4964 0.7197 0.7076 0.4661 0.7487 0.7024 0.6013 0.4659 0.6588 0.6970 0.6597 0.5086 0.3811 0.6905 0.7500 0.7483 0.6863 0.7035 0.2586 0.7105 0.6311 0.7124 0.6774 0.7424 0.7500 0.7278 0.7483 0.2188 0.5585 0.7433 0.6207 0.6888 0.7433 0.4953 0.7499 0.5305 0.5811 0.4262 0.5636 0.7416 0.7300 0.4684 0.1573 0.3940 0.6972 0.0410 0.2493 0.0199 0.1472 0.0788 0.7429 0.2056 0.1507 0.4815 0.6606 0.0466 0.6606 0.7457 0.7417 0.0541 0.7489 0.6100 0.5473 0.3697 0.5425 0.4149 0.6720 0.5572 0.4300 0.4924 0.1076 0.1153 0.2001 0.1115 0.5539 0.1049 0.8245 0.8564 0.8571 0.8251 0.8435 0.8542 0.8156 0.7875 0.7886 0.8500 0.8570 0.5313 0.8335 0.8571 0.8562 0.8058 0.8444 0.4190 0.8112 0.8156 0.6646 0.8490 0.8396 0.7164 0.8067 0.7801 0.1934 0.8466 0.4690 0.6492 0.3386 0.4328 0.3894 0.6454 0.4851 0.8102 0.8356 0.6545 0.8519 0.8554 0.6457 0.8198 0.8548 0.8074 0.4109 0.5533 0.3600 0.8555 0.6161 0.2372 0.7078 0.2269 0.3623 0.8527 0.1119 0.1441 0.8497 0.1558 0.2616 0.1935 0.5259 0.5459 0.6750 0.8554 0.5666 0.3612 0.5874 0.0819 0.7474 0.1719 0.6747 0.6470 0.8263 0.8312 0.7849 0.8391 0.8368 0.6631 0.8527 0.7470 0.1970 0.2436 0.8566 0.7847 0.4566 0.6068 0.7446 0.4809 0.2979 0.3972 0.5200 0.7182 0.2492 0.8549 0.6106 0.7029 0.3411 0.7643 0.5985 0.8570 0.2890 0.8526 0.8552 0.5682 0.8189 0.4460 0.2608 0.7517 0.7902 0.8211 0.8571 0.5470 0.3802 0.8569 0.6963 0.2950 0.6635 0.8370 0.8287 0.6358 0.8563 0.8252 0.7510 0.6357 0.7943 0.8214 0.7950 0.6743 0.5519 0.8169 0.8571 0.8560 0.8139 0.8260 0.4110 0.8308 0.7738 0.8321 0.8076 0.8521 0.8571 0.8424 0.8560 0.3591 0.7167 0.8528 0.7660 0.8157 0.8527 0.6625 0.8571 0.6932 0.7351 0.5977 0.7209 0.8516 0.8439 0.6380 0.2718 0.5653 0.8216 0.0788 0.3991 0.0391 0.2566 0.1461 0.8525 0.3411 0.2619 0.6500 0.7956 0.0890 0.7956 0.8544 0.8517 0.1026 0.8565 0.7578 0.7074 0.5398 0.7034 0.5864 0.8038 0.7156 0.6014 0.6599 0.1943 0.2068 0.3335 0.2007 0.7129 0.1899 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 56 57 58 59 60 61 62 63 64 65 66 6 6 1 6 6 6 6 6 6 6 8 6 7 6 8 6 1 6 7 6 6 6 6 7 1 1 6 6 6 8 6 6 6 6 6 6 35 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 1 1 1 1 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 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 1.00783 1.00783 1.00783 1.00783 15827.1904 20419.1826 29844.4067 0.99592 -0.08716 -0.02354 0.08699 0.99618 -0.00813 0.02415 0.00605 0.99969 1 0.00547 0.00424 0.00290 0.11403 0.08838 0.06047 23.09 25.61 45.52 49.38 54.73 68.91 72.23 77.80 111.50 115.75 129.86 144.41 163.12 192.03 221.70 244.59 257.88 294.73 304.67 330.30 331.80 361.01 371.95 388.48 404.79 423.07 440.16 470.18 472.75 488.03 498.07 508.32 531.52 538.23 581.32 626.67 648.80 675.71 688.67 712.40 716.23 726.10 751.76 765.77 771.82 799.47 813.16 867.35 893.48 940.88 964.34 982.96 1024.28 1036.59 1086.63 1126.15 1148.83 1165.86 1208.73 1221.84 1236.01 1241.36 1250.98 1261.07 1266.79 1310.13 1328.12 1339.39 1352.65 1370.81 1396.88 1415.41 1430.53 1477.95 1485.49 1509.66 1514.33 1540.84 1543.73 1550.04 1566.18 1574.41 1598.27 1615.21 1624.42 1626.77 1633.11 1634.65 1644.69 1668.85 1677.39 1694.63 1697.45 1728.66 1735.94 1759.23 1765.92 1780.22 1786.26 1800.87 1813.87 1827.56 1860.22 1866.55 1883.76 1898.97 1901.83 1901.96 1909.30 1915.07 1923.38 1953.86 1975.77 1995.77 2039.33 2055.57 2080.80 2082.81 2085.75 2086.48 2090.58 2094.61 2115.22 2140.03 2159.90 2179.32 2196.32 2209.17 2222.34 2226.17 2229.88 2240.53 2253.50 2256.35 2262.49 2276.77 2328.02 2343.31 2352.23 2358.17 2358.56 2367.79 2371.85 2373.07 2373.57 2374.72 2387.51 2388.02 2406.20 2414.88 2419.07 2476.17 2547.05 2573.64 2586.39 2602.14 2626.44 2735.64 2758.31 4601.12 4610.96 4620.96 4624.30 4625.61 4661.99 4679.03 4704.73 4709.75 4712.45 4717.87 4722.08 4725.92 4735.20 4744.68 4745.48 4765.69 4780.88 4797.33 4798.34 4803.46 4812.45 4842.23 4850.91 4870.70 4894.81 4903.48 4904.10 4912.94 4919.70 5269.36 5367.63 5592.33 0.606920 0.636205 0.637149 0.543356 -3960.847800 -3960.818515 -3960.817571 -3960.911364 3.145833D-04 MUNgauss RevisionA2.1 retrievium 30-May-2021 DUDE C[C@@H](Cc1ccccc1OC)NC(=O)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4cccc(c4)Br C39686446 RHF 6-31G(d) (6D,10F) C1 514.170528 |X|Y|Z| 94.643122 83.601114 43.992493 70.343920 27 6 7 24 3 |36.858105| |12.475925|36.858105| |8.899040|17.645765|0.500000| |7.530495|12.397628|0.246445|36.858105| |4.878214|7.415028|0.188405|12.592610|36.858105| |3.951407|5.390598|0.133675|7.546302|13.768748|36.858105| |3.114325|4.022897|0.106361|4.993840|7.850477|13.703731|36.858105| |2.888215|3.711101|0.104049|4.428610|6.830841|7.994481|13.822588|36.858105| |3.187364|4.198195|0.124188|5.005347|7.878227|6.913153|7.921964|13.701512|36.858105| |4.092374|5.807470|0.174441|7.522159|13.591341|7.973169|6.844293|7.928303|13.758630|36.858105| |4.382948|5.967664|0.201693|6.904448|8.175093|5.302305|4.610143|5.198127|7.891569|14.103776|73.516695| |3.436031|4.247464|0.141264|4.590422|5.245583|3.994042|3.789361|4.515270|6.728428|7.985492|24.143950|36.858105| |7.712609|12.978024|0.256831|7.786179|6.444545|5.556840|4.233902|3.758852|3.985155|5.017685|8.295931|3.560057|53.358707| |5.942950|7.703821|0.201167|5.151048|4.695476|4.243245|3.559808|3.296058|3.482655|4.110163|7.043828|3.227569|19.422428|36.858105| |5.790147|6.741551|0.202442|4.470759|4.025205|3.526872|3.049612|2.938728|3.199517|3.759465|6.865908|3.254122|11.567565|15.745818|73.516695| |4.188279|4.979071|0.129489|3.966007|3.883612|3.860314|3.415508|3.104942|3.106167|3.429962|5.658790|2.698925|10.705104|12.458526|14.161116|36.858105| |4.183495|4.633334|0.115264|3.769545|3.557895|3.598924|3.144238|2.803097|2.773593|3.071898|5.092587|2.436146|9.539727|9.078646|11.413813|17.505356|0.500000| |3.518038|4.351454|0.113628|3.867366|4.150500|4.482691|4.160749|3.669981|3.469421|3.651948|5.684707|2.720157|8.694602|7.299614|9.379677|12.291364|0.246828|36.858105| |2.820256|3.294541|0.088526|2.981374|3.183950|3.427789|3.365532|3.080968|2.892602|2.934464|4.680853|2.332801|5.926203|5.088043|7.470876|8.012794|0.186282|12.964890|53.358707| |2.774644|3.103332|0.084001|2.712258|2.772476|2.870766|2.754611|2.569648|2.491779|2.578597|4.265768|2.149585|5.481929|5.033666|7.846359|8.151628|0.202288|7.971067|17.828131|36.858105| |3.330537|3.746146|0.103267|3.076040|3.057377|3.022670|2.810110|2.657689|2.673629|2.855494|4.839966|2.412325|6.812848|7.273110|11.750148|12.326536|0.248976|7.790848|10.997700|12.390818|36.858105| |3.247484|3.392095|0.093215|2.755589|2.632950|2.560026|2.356719|2.238822|2.280873|2.464032|4.299693|2.169018|5.778861|5.869392|10.793140|7.462014|0.201135|4.993839|6.930762|7.412131|12.398781|36.858105| |2.634008|2.728403|0.076612|2.292236|2.226247|2.170398|2.047109|1.981036|2.018655|2.136988|3.762133|1.950088|4.386143|4.127013|7.860061|4.857420|0.129248|3.829518|5.699264|5.940912|7.461218|12.500506|36.858105| |2.547355|2.694413|0.078161|2.268216|2.238345|2.153364|2.056664|2.036223|2.103725|2.207559|3.930881|2.072671|4.224967|3.964869|7.905177|4.377976|0.109083|3.616305|5.323248|5.060091|6.486576|7.705131|12.660650|53.358707| |2.257918|2.365378|0.068581|2.029156|2.009852|1.941423|1.871494|1.863256|1.920384|1.996236|3.564393|1.904761|3.629733|3.277958|6.444470|3.571663|0.091155|3.080929|4.586626|4.221714|4.913828|5.681675|9.166234|25.694741|0.500000| |2.739661|2.870065|0.084633|2.371629|2.309920|2.181025|2.062163|2.053203|2.155749|2.292074|4.155192|2.194239|4.410618|4.174174|8.866522|4.289965|0.106441|3.456224|4.828079|4.358627|5.873752|7.115791|9.212948|25.656576|0.327587|0.500000| |2.549770|2.815076|0.082368|2.402515|2.447140|2.376463|2.310463|2.309475|2.370285|2.441859|4.271619|2.254143|4.498422|4.227424|8.065742|4.847144|0.113304|4.276528|6.561474|6.008539|7.449762|6.478820|7.603893|17.196145|0.254180|0.255737|36.858105| |3.094206|3.566011|0.104366|2.955506|3.025368|2.920589|2.789036|2.754003|2.835414|2.973810|5.122901|2.618821|6.045682|6.174950|11.371471|7.415202|0.152572|6.129178|8.672806|7.520035|12.317679|7.554601|6.485947|10.505180|0.157970|0.198264|12.520047|36.858105| |2.431669|2.838159|0.078006|2.651060|2.919805|3.169734|3.288469|3.108986|2.866922|2.789889|4.428771|2.262691|4.804119|3.957346|6.142570|5.276383|0.126046|7.604685|18.843080|7.848583|5.620532|3.965727|3.572776|4.815117|0.087712|0.088713|4.541327|5.445129|36.858105| |2.190474|2.501782|0.069772|2.322364|2.520836|2.672394|2.772753|2.694393|2.535593|2.460251|3.998530|2.086593|4.103380|3.425686|5.575014|4.374756|0.106635|5.400198|11.520983|7.057077|5.133543|3.833961|3.702734|5.129553|0.095661|0.091864|4.996746|5.336512|15.839150|73.516695| |2.334030|2.765038|0.075726|2.703372|3.107593|3.524688|3.895241|3.662262|3.197122|2.985766|4.587861|2.347971|4.550856|3.506663|5.414125|4.287760|0.105176|6.327598|10.519032|5.015599|4.129363|3.123716|2.819001|3.845009|0.071362|0.073140|3.480192|4.111291|12.723539|14.420855|36.858105| |2.110862|2.488229|0.069624|2.460253|2.862739|3.178872|3.643128|3.656830|3.197760|2.872591|4.449734|2.344406|3.924710|3.005600|4.816966|3.452600|0.084852|4.576857|7.086489|3.913966|3.427210|2.698955|2.518344|3.549258|0.067100|0.068020|3.230679|3.645647|7.701049|11.985409|13.701527|36.858105| |1.973152|2.316897|0.064620|2.363680|2.798236|3.168897|3.817450|3.901678|3.269336|2.836423|4.339386|2.310677|3.550272|2.628797|4.234028|2.905765|0.073089|3.725405|5.369692|3.105459|2.805029|2.291632|2.140189|3.002344|0.057310|0.058402|2.639052|2.942890|5.074976|8.096595|7.930352|13.781145|36.858105| |2.001412|2.347918|0.064262|2.459030|2.939398|3.484073|4.346664|4.194175|3.333332|2.896421|4.342876|2.275757|3.589622|2.579999|4.089226|2.837486|0.072936|3.672809|5.077792|2.922710|2.642187|2.184292|2.008334|2.760955|0.052550|0.054054|2.365198|2.669875|4.457198|6.827967|6.856499|7.934090|13.743737|36.858105| |2.184340|2.570325|0.068823|2.694119|3.195391|3.937940|4.769527|4.185124|3.322150|3.003461|4.460180|2.274328|4.040951|2.872212|4.430626|3.246498|0.084593|4.407853|5.992015|3.307940|2.926562|2.391680|2.151882|2.894431|0.054549|0.056521|2.459334|2.837632|5.036343|7.220478|7.964835|6.905686|7.976064|13.779225|36.858105| |2.379749|2.815757|0.075075|2.845902|3.299916|3.969217|4.454386|3.893155|3.251122|3.051274|4.585878|2.308366|4.631233|3.391398|5.117793|4.077111|0.104763|6.081636|8.739956|4.343666|3.657354|2.867716|2.537077|3.373249|0.062747|0.065085|2.914163|3.449781|7.537804|9.547829|13.716317|7.920990|6.865957|7.911970|13.787243|36.858105| |2.113668|2.433778|0.063741|2.641005|3.073955|3.915936|4.622670|3.797124|3.013575|2.792790|4.157612|2.105156|3.729871|2.557985|3.951329|2.808580|0.076279|3.572260|4.641310|2.735733|2.478366|2.108487|1.888818|2.500310|0.047358|0.049318|2.052302|2.343017|3.553068|5.325850|4.601554|4.093666|4.602712|6.700066|10.053099|6.708452|2539.412838| |17.542010|8.790260|0.173602|6.849236|4.534713|3.904708|3.053528|2.753624|2.940422|3.669376|6.658851|2.992512|9.423100|5.279558|8.606522|4.041775|0.117999|3.450168|3.780126|2.727452|3.179242|3.122754|2.526908|3.251212|0.059151|0.070211|2.381925|2.860107|2.377278|3.788406|2.291142|2.051213|1.926433|1.979140|2.187680|2.380253|73.618162|0.500000| |17.559300|8.828742|0.213388|6.869472|4.540938|3.615533|2.906276|2.753949|3.096133|3.988481|8.002832|3.589442|7.610355|4.576340|8.261642|3.419748|0.093993|2.983015|3.346927|2.414280|2.842871|2.789831|2.341140|3.129618|0.057410|0.068909|2.298197|2.719186|2.172145|3.517816|2.110104|1.941910|1.837336|1.863272|2.006480|2.148235|66.564363|0.300967|0.500000| |17.593638|8.816131|0.213707|5.484595|4.038305|3.393213|2.781786|2.618410|2.874534|3.558371|6.823082|3.145723|9.533231|6.374968|12.257922|4.402313|0.122498|3.496286|3.893133|2.909005|3.608372|3.669994|2.941026|3.849411|0.069070|0.085999|2.758683|3.333509|2.446330|3.964844|2.293928|2.074157|1.915393|1.918862|2.085496|2.298694|67.700260|0.300428|0.301516|0.500000| |7.021333|8.955000|0.215428|17.592681|8.905698|5.784571|4.248528|3.981795|4.669049|6.941343|13.195733|4.978134|7.704056|4.202713|6.922339|3.304712|0.087853|3.193137|3.493553|2.376263|2.684942|2.464524|2.094826|2.845790|0.052481|0.061144|2.191184|2.627658|2.325775|3.689741|2.371824|2.203264|2.139133|2.214364|2.379497|2.473231|80.003737|0.172455|0.210775|0.142821|0.500000| |6.973721|8.860269|0.174288|17.518570|8.938387|7.301830|4.771249|3.995264|4.198001|5.606956|8.919801|3.678639|9.523410|4.699537|7.087788|3.835769|0.105865|3.773045|3.982963|2.663758|2.951088|2.674163|2.217426|2.928022|0.053666|0.061873|2.257591|2.745872|2.577528|3.997778|2.634618|2.365206|2.283335|2.417271|2.699295|2.844421|93.247764|0.208567|0.172188|0.141866|0.304019|0.500000| |4.005350|5.171076|0.121497|7.024668|8.962759|17.676636|8.933507|5.676564|4.970092|5.659363|7.605969|3.334030|7.572120|4.183150|6.066849|3.919655|0.105872|4.522419|4.695559|2.906133|3.013817|2.583702|2.170207|2.871838|0.052854|0.059060|2.296825|2.805836|3.111787|4.643882|3.412322|2.993779|2.963120|3.311989|3.891118|3.975444|139.891640|0.115653|0.099955|0.095047|0.148565|0.224643|0.500000| |2.764017|3.423165|0.089683|4.083567|5.615314|8.897220|17.744617|8.903756|5.630754|4.939284|6.506225|3.131951|5.034243|3.200814|4.878617|3.209821|0.083648|4.007527|4.570832|2.715121|2.680141|2.253621|1.972122|2.672134|0.049904|0.054119|2.203236|2.620185|3.337118|4.974339|4.104342|3.805128|4.129784|5.074215|5.819581|5.019187|208.082689|0.076755|0.071510|0.069528|0.098204|0.113619|0.215770|0.500000| |2.489792|3.085920|0.087099|3.543121|4.930298|5.663018|8.931599|17.719154|8.936158|5.651639|7.461123|3.918800|4.298338|2.868605|4.620522|2.776520|0.069992|3.295216|3.936170|2.416081|2.451059|2.074592|1.867401|2.626153|0.049490|0.053682|2.198979|2.564988|3.018502|4.721148|3.650820|3.830358|4.328186|4.672048|4.340777|3.842638|131.347979|0.066311|0.066335|0.063752|0.090642|0.090846|0.124467|0.213913|0.500000| |2.844089|3.600854|0.109432|4.077039|5.611811|4.976513|5.655686|8.939941|17.762202|8.894527|12.570846|7.490184|4.626678|3.090605|5.212955|2.777828|0.068955|3.048431|3.580887|2.304864|2.472607|2.133826|1.923195|2.766580|0.051979|0.058016|2.292442|2.682188|2.655851|4.272684|2.937171|3.034253|3.125847|3.100768|2.989775|2.911456|91.413111|0.072469|0.077954|0.072638|0.110097|0.096397|0.107880|0.124210|0.217059|0.500000| |3.482511|4.089281|0.137890|4.235942|4.415336|3.419792|3.183306|3.619263|4.906846|5.873033|16.985319|17.651860|4.552043|3.075192|5.673541|2.546413|0.064480|2.497916|2.944472|2.033465|2.302829|2.116521|1.913803|2.772669|0.052195|0.060531|2.175796|2.493666|2.082447|3.448405|2.124579|2.110548|2.064698|2.029245|2.037941|2.083606|64.714276|0.083106|0.104402|0.089614|0.132444|0.095601|0.082228|0.075039|0.089139|0.146301|0.500000| |3.023576|3.634812|0.114213|4.118943|4.821923|3.855151|3.782024|4.614839|6.759310|7.100641|16.439900|17.576655|4.241189|2.809857|4.954135|2.419439|0.061460|2.482583|2.932725|1.974297|2.170240|1.957418|1.772547|2.545575|0.048112|0.054483|2.030746|2.327657|2.112078|3.467180|2.227408|2.244666|2.259433|2.251101|2.228927|2.216568|71.306106|0.075254|0.088055|0.076485|0.125294|0.095176|0.089534|0.087498|0.113743|0.222015|0.299878|0.500000| |3.152088|3.905791|0.130905|4.015056|4.683938|3.753254|3.701726|4.548133|6.700953|6.934807|16.422234|17.564917|4.704012|3.254224|5.890691|2.764164|0.068205|2.810816|3.323024|2.243834|2.520324|2.239273|2.032616|2.991096|0.056138|0.064559|2.431289|2.817971|2.403913|3.969407|2.492392|2.530933|2.478601|2.389013|2.352185|2.398092|72.196280|0.076610|0.089048|0.082345|0.114643|0.091366|0.087154|0.085878|0.112876|0.227891|0.300108|0.298870|0.500000| |6.145126|8.991381|0.185185|7.568181|6.816005|6.647138|4.837188|4.024084|4.043464|4.930312|7.627824|3.306927|26.079028|9.474016|10.883569|7.564386|0.199495|7.197625|6.333080|4.088681|4.714732|3.914084|3.013010|3.894619|0.069054|0.081088|3.081573|4.067494|3.730813|5.514413|3.629364|3.050968|2.779987|2.878955|3.340684|3.855865|106.678899|0.171409|0.131641|0.150818|0.148305|0.212312|0.199558|0.119011|0.093205|0.093775|0.084884|0.082698|0.089044|0.500000| |3.527999|4.596085|0.124431|4.180535|4.803292|5.158110|4.934618|4.459125|4.212133|4.349847|6.558988|3.114268|8.795458|6.979983|9.329870|8.674984|0.175512|17.605331|12.261984|6.022814|6.321624|4.273372|3.439209|4.665383|0.081881|0.092654|4.171984|6.020448|7.195970|9.264839|6.800797|5.160253|4.194028|4.057785|4.717139|6.255825|124.781962|0.093578|0.084453|0.095714|0.095393|0.108876|0.135054|0.127125|0.109361|0.101299|0.077716|0.078345|0.090797|0.196085|0.500000| |3.522640|4.303205|0.107546|4.029014|4.315349|4.969603|4.503576|3.736272|3.420948|3.615479|5.515042|2.611456|8.471078|6.160727|7.986784|8.721666|0.227626|17.613914|12.221806|6.150461|5.729994|4.209739|3.295611|4.160666|0.073981|0.081795|3.463713|4.573393|6.154788|8.017371|5.819892|4.208334|3.608436|3.761031|4.772421|6.540736|139.375373|0.099431|0.082897|0.094614|0.091119|0.114188|0.148623|0.124300|0.092482|0.082113|0.066531|0.067228|0.073516|0.220483|0.303230|0.500000| |2.432214|2.690583|0.074057|2.386821|2.459272|2.538002|2.487502|2.366558|2.297161|2.338415|3.900863|2.004869|4.543156|4.058397|6.672451|5.718528|0.144203|5.792047|12.472838|17.706585|8.561742|6.272749|6.042067|7.302576|0.128853|0.121939|6.651192|6.946410|7.701179|15.151291|4.805337|3.931552|3.079984|2.826740|3.108798|3.987522|86.603616|0.066097|0.059888|0.070892|0.059070|0.064813|0.070646|0.068497|0.062860|0.059966|0.052839|0.051409|0.058604|0.093226|0.135694|0.131094|0.500000| |2.721726|2.958179|0.078363|2.606239|2.612268|2.727466|2.586212|2.374431|2.290787|2.389089|3.960848|1.990173|5.185208|4.582733|7.103392|7.141748|0.213324|6.675368|12.421845|17.530233|8.803667|7.049121|5.569702|5.975970|0.104782|0.107052|4.712734|5.492693|6.014213|9.674111|4.306436|3.389998|2.793456|2.704848|3.109296|4.007299|91.271056|0.076006|0.065621|0.079283|0.063589|0.072627|0.078540|0.071587|0.061965|0.058673|0.052615|0.051137|0.056967|0.109413|0.138507|0.163176|0.302379|0.500000| |3.159747|3.216778|0.085845|2.662220|2.517219|2.485645|2.276025|2.128455|2.142032|2.314714|4.007564|2.013365|5.474930|5.201851|8.986754|6.759287|0.215179|4.721700|6.579371|6.952930|8.781314|17.558554|8.995442|7.634566|0.127082|0.144464|4.876070|5.491667|3.717238|6.306463|2.977512|2.542545|2.185304|2.117421|2.349405|2.813656|71.949633|0.087129|0.075180|0.098275|0.066088|0.073453|0.071101|0.061146|0.054837|0.055362|0.054584|0.050987|0.057094|0.106339|0.108829|0.116907|0.160332|0.218361|0.500000| |3.715598|3.778742|0.104986|2.952402|2.745800|2.598530|2.353006|2.248094|2.335019|2.573955|4.587996|2.302753|6.289233|6.597793|13.731662|6.940036|0.185305|4.529079|5.821888|5.473731|8.850424|17.585082|8.892413|9.408979|0.144675|0.208065|5.645188|6.739434|3.437596|5.848266|2.831506|2.491421|2.153338|2.063633|2.243932|2.636279|68.231725|0.097026|0.087840|0.121874|0.073832|0.078703|0.072467|0.061653|0.057363|0.060734|0.063153|0.057139|0.065625|0.112876|0.112221|0.108209|0.131434|0.144927|0.303392|0.500000| |2.368997|2.473075|0.068884|2.130079|2.098193|2.081481|1.989323|1.919448|1.928311|2.012654|3.500327|1.822233|3.979366|3.620238|6.593473|4.429649|0.119700|3.735206|5.922388|6.430717|6.656535|8.719801|17.621438|12.445044|0.223332|0.181184|7.003193|5.730614|3.789269|7.220164|2.925937|2.602982|2.194646|2.051785|2.200664|2.611992|65.337981|0.063932|0.058853|0.071961|0.054038|0.057710|0.058050|0.053875|0.050710|0.051073|0.049359|0.046440|0.052829|0.077886|0.092255|0.090149|0.201436|0.171226|0.213300|0.172868|0.500000| |2.528320|2.544288|0.071307|2.143500|2.053552|1.990315|1.869474|1.810939|1.854100|1.972038|3.509647|1.829122|3.976591|3.629008|7.038459|4.038342|0.111425|3.227132|4.663049|4.541137|5.448954|8.767861|17.625086|12.360347|0.223741|0.223040|5.579100|4.877737|2.978716|5.456119|2.436276|2.203837|1.909269|1.806976|1.929015|2.234288|58.684218|0.067654|0.063029|0.079236|0.055055|0.057869|0.055500|0.050040|0.047460|0.049255|0.050359|0.046322|0.052588|0.075678|0.081485|0.079595|0.127010|0.124622|0.212068|0.215718|0.301124|0.500000| |2.307359|2.536911|0.072964|2.217530|2.279513|2.260648|2.227603|2.212516|2.226604|2.260316|3.898132|2.062073|4.062265|3.686692|6.711788|4.420506|0.106714|4.144001|6.901413|6.509145|6.641248|5.718303|6.977677|12.392269|0.222415|0.180850|17.639395|8.716444|5.004757|10.644442|3.683714|3.411210|2.740760|2.435543|2.531649|3.027532|71.190100|0.060854|0.057969|0.068436|0.056157|0.058625|0.061163|0.059927|0.059181|0.059776|0.054999|0.052291|0.061530|0.079408|0.110086|0.094574|0.232237|0.140436|0.128637|0.131605|0.211810|0.143613|0.500000| |2.408372|2.665823|0.079541|2.300342|2.364125|2.273037|2.233750|2.279600|2.368858|2.415561|4.277421|2.305138|4.120442|3.746821|7.296425|4.029778|0.095080|3.689570|5.472565|4.589754|5.443326|4.875840|5.583819|12.362740|0.223541|0.223480|17.627265|8.788796|3.986449|7.846083|3.222459|3.120934|2.585289|2.289001|2.329318|2.695705|66.135359|0.061926|0.061279|0.071946|0.059004|0.059454|0.060270|0.058851|0.060764|0.064725|0.061989|0.057570|0.070078|0.078084|0.104284|0.084824|0.139068|0.104181|0.107531|0.127079|0.144032|0.126487|0.301375|0.500000| |3.470644|4.035444|0.123062|3.217958|3.237595|3.008359|2.820653|2.821972|3.002657|3.230228|5.731429|2.920530|6.648900|7.052333|15.035122|6.881752|0.143070|5.389966|6.824310|5.517926|8.808083|6.737165|5.660855|9.446079|0.145101|0.209342|8.913567|17.629048|4.358400|7.440718|3.572442|3.250734|2.717807|2.494850|2.630713|3.104673|75.502306|0.086392|0.084705|0.105710|0.079975|0.081146|0.079258|0.072119|0.072064|0.079218|0.078019|0.070635|0.087609|0.117793|0.154649|0.116521|0.139573|0.123314|0.138041|0.195597|0.132004|0.127293|0.173062|0.216626|0.500000| |2.927290|3.478878|0.102032|2.989947|3.190583|3.135918|3.081336|3.080352|3.126875|3.184078|5.344795|2.743746|5.872026|5.570108|9.562118|6.691438|0.137579|6.753207|9.857584|7.101827|8.728328|5.492998|4.882177|7.656767|0.127371|0.145045|9.048545|17.603822|6.827398|11.648309|5.068316|4.524198|3.501719|3.087833|3.246089|4.006052|87.604450|0.075490|0.072163|0.084981|0.073456|0.076781|0.082291|0.080487|0.080324|0.082187|0.071132|0.068085|0.083263|0.113296|0.202325|0.135759|0.187233|0.141654|0.122913|0.138145|0.128912|0.107617|0.214145|0.213448|0.303943|0.500000| |2.031866|2.373817|0.067409|2.306520|2.640202|2.836551|3.170996|3.266893|2.977699|2.697647|4.283295|2.293954|3.708646|2.907759|4.780182|3.314077|0.080776|4.163653|6.612133|3.885415|3.447109|2.732355|2.615581|3.781456|0.072105|0.071928|3.533068|3.844696|7.204891|13.223989|8.935060|17.755943|8.910094|5.642489|4.972347|5.648331|113.206775|0.054396|0.052134|0.056076|0.057961|0.061068|0.073951|0.089549|0.094692|0.080304|0.057822|0.060617|0.069665|0.078237|0.129215|0.103007|0.112801|0.091761|0.070432|0.069898|0.075409|0.063297|0.105091|0.096793|0.094258|0.134875|0.500000| |1.826951|2.126100|0.059909|2.171335|2.554953|2.827364|3.386910|3.601281|3.089956|2.649532|4.118695|2.242526|3.190119|2.365774|3.884219|2.560359|0.064638|3.146869|4.506958|2.723596|2.508578|2.091314|1.983075|2.815683|0.054307|0.055014|2.460563|2.680113|4.134930|6.978655|5.641845|8.926405|17.733513|8.934540|5.667171|4.949625|130.288973|0.049329|0.047728|0.049373|0.055389|0.057945|0.072947|0.099831|0.114038|0.084565|0.055783|0.061408|0.067338|0.068382|0.097914|0.084152|0.076066|0.068358|0.055212|0.055000|0.056373|0.049525|0.070791|0.068203|0.069607|0.087597|0.214487|0.500000| |1.868688|2.170882|0.059446|2.308640|2.755357|3.255460|4.109783|4.036922|3.188616|2.739456|4.125953|2.187293|3.244312|2.305468|3.693387|2.481006|0.064518|3.094595|4.211058|2.513671|2.310858|1.952588|1.806385|2.485220|0.047618|0.048965|2.097083|2.337333|3.562761|5.634717|4.946194|5.641819|8.890862|17.752432|8.930984|5.641987|220.219829|0.051452|0.048820|0.049548|0.058525|0.063268|0.085971|0.135248|0.129629|0.083436|0.054217|0.061036|0.063365|0.071925|0.094078|0.088801|0.067743|0.065485|0.052789|0.051702|0.051095|0.045614|0.059670|0.056830|0.061519|0.073768|0.123972|0.214726|0.500000| 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