Version2.1 2021-01-13T10:35:54Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 28-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)CC(C2)[NH2+][C@H]3CCc4c(sc5c4c(=O)n(cn5)Cc6ccccc6F)C3 C14989326 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)CC(C2)[NH2+][C@H]3CCc4c(sc5c4c(=O)n(cn5)Cc6ccccc6F)C3 C01[X(C26H25F1N3O1S1)] 165 C1 534 Fc1ccccc1Cn1cnc2c(c1=O)c1CC[C@@H](Cc1s2)[NH2+]C1Cc2c(C1)cccc2 Fc1ccccc1Cn1cnc2c(c1=O)c1CC[C@@H](Cc1s2)[NH2+]C1Cc2c(C1)cccc2 Fc1ccccc1CN2C=Nc3sc4C[C@H](CCc4c3C2=O)[NH2+]C5Cc6ccccc6C5 InChIKey=XOMRZIHMBNRUAL-IBGZPJMESA-O InChI=1S/C26H24FN3OS/c27-22-8-4-3-7-18(22)14-30-15-28-25-24(26(30)31)21-10-9-19(13-23(21)32-25)29-20-11-16-5-1-2-6-17(16)12-20/h1-8,15,19-20,29H,9-14H2/p+1/t19-/m0/s1 InChI=1/C26H24FN3OS/c27-22-8-4-3-7-18(22)14-30-15-28-25-24(26(30)31)21-10-9-19(13-23(21)32-25)29-20-11-16-5-1-2-6-17(16)12-20/h1-8,15,19-20,29H,9-14H2/p+1/t19-/m0/s1/fC26H25FN3OS/h29H/q+1 c1ccc2c(c1)CC(C2)[NH2+][C@H]3CCc4c(sc5c4c(=O)n(cn5)Cc6ccccc6F)C3 C01[X(C26H25F1N3O1S1)] 165 C01 534 Fc1ccccc1Cn1cnc2c(c1=O)c1CC[C@@H](Cc1s2)[NH2+]C1Cc2c(C1)cccc2 F[C]1[CH][CH][CH][CH][C]1CN1C=[N][C]2[C]([C]3=C(S2)C[C@H](CC3)[NH2][C@@H]2C[C]3[C]([CH][CH][CH][CH]3)C2)C1=O F[C]1[CH][CH][CH][CH][C]1CN2C=N[C]3SC4=C(CC[C@@H](C4)[NH2]C5C[C]6[CH][CH][CH][CH][C]6C5)[C]3C2=O InChIKey=PUMFHAONWCEJQV-IBGZPJMESA-N InChI=1S/C26H25FN3OS/c27-22-8-4-3-7-18(22)14-30-15-28-25-24(26(30)31)21-10-9-19(13-23(21)32-25)29-20-11-16-5-1-2-6-17(16)12-20/h1-8,15,19-20H,9-14,29H2/t19-/m0/s1 InChI=1/C26H25FN3OS/c27-22-8-4-3-7-18(22)14-30-15-28-25-24(26(30)31)21-10-9-19(13-23(21)32-25)29-20-11-16-5-1-2-6-17(16)12-20/h1-8,15,19-20H,9-14,29H2/t19-/m0/s1 3122.2687790618 -1734.1356692 1-A 26683.1964 117 417 534 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.06715 -26.38153 -20.61422 -15.84927 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1562.3478 1580.3799 1584.8434 1593.1366 1623.3669 1627.0692 1630.8938 1634.8875 1635.4558 1648.0988 1651.2241 1651.8871 1656.4318 1675.5795 1689.6221 1781.1756 1789.5339 1791.6780 1811.9420 1814.2817 1819.7755 1820.9739 1940.2798 3175.3573 3176.7829 3178.8347 3199.6367 3227.1597 3243.7702 3250.5843 3263.2493 3265.1491 3271.5630 3301.9709 3307.9257 3323.0169 3361.9182 3364.0726 3368.3633 3372.6130 3381.7870 3386.5440 3396.9256 3400.2013 3407.4022 3419.9977 3660.4060 3723.7519 6.4579 5.8345 5.5696 6.3600 4.4646 5.5397 5.6049 4.8823 4.4062 5.6336 5.4468 3.9515 5.0262 3.6893 2.5814 4.6582 5.6531 3.1441 2.6134 3.8259 5.2645 5.9921 2.9589 3.7664 5.2172 6.2961 3.6523 5.3800 2.4000 3.6596 3.1730 2.1493 3.7972 4.2758 4.2379 3.2485 4.8882 6.4158 3.9593 4.6342 3.9160 5.9812 6.0826 5.7028 4.8099 4.8201 7.7196 6.7384 5.6777 3.1686 4.9662 2.3211 4.2873 1.5366 1.3542 2.0475 3.4431 7.3350 3.8597 2.5548 4.3444 2.8010 2.1647 1.2993 1.4496 1.9284 1.6508 1.9655 2.3422 2.5651 1.4819 1.8994 2.4648 2.9028 1.4475 1.4685 2.4959 2.3802 2.6466 2.1451 1.3466 3.2359 3.1067 2.0503 2.1414 2.4590 2.3899 1.8865 1.9300 2.8205 1.2789 2.2584 1.1859 2.1993 2.7423 1.3195 1.8462 1.7262 1.5539 1.3884 2.4405 1.5786 2.0689 2.0248 1.4778 1.6520 1.3004 1.3036 1.4684 1.4786 1.6214 1.4050 1.5583 1.8494 1.4987 1.4686 1.5275 1.9254 1.3013 2.1917 1.8092 1.1014 2.2601 1.4370 1.3791 1.2146 1.1162 1.1195 1.1392 2.4524 2.5551 9.4798 7.4517 6.1336 6.0509 5.6184 5.7128 1.1130 6.3488 12.1599 1.0723 1.0715 1.0729 1.0610 1.0837 1.0936 1.0931 1.0940 1.0717 1.0937 1.0889 1.0951 1.0892 1.0917 1.0953 1.0892 1.0919 1.0907 1.0947 1.0954 1.0982 1.0977 1.0952 1.0558 1.0950 0.0006 0.0008 0.0020 0.0042 0.0043 0.0064 0.0179 0.0240 0.0290 0.0430 0.0501 0.0651 0.1041 0.0871 0.0641 0.1365 0.1892 0.1295 0.1191 0.1913 0.2860 0.3419 0.2119 0.2776 0.3980 0.6615 0.3912 0.6285 0.3038 0.4826 0.4334 0.3019 0.5935 0.7117 0.7374 0.5780 0.9136 1.2650 0.8089 1.0014 0.8765 1.4112 1.4569 1.5198 1.3311 1.3623 2.4192 2.1600 2.0218 1.1456 1.9463 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0.4857 5.4181 5.9377 4.6789 1.0713 3.6425 20.0442 10.4303 0.9058 5.3114 13.6745 0.9022 3.4581 1.2996 6.4343 0.3672 4.3303 1.0185 3.2633 1.8854 3.0315 5.7256 0.0267 5.6569 19.0509 21.7096 66.0588 51.2436 15.5404 14.6778 26.2604 0.9548 7.1696 10.4154 6.4341 1.1095 1.1119 4.7922 3.9519 6.7526 4.3923 24.2849 16.2072 0.9143 43.9227 120.7108 7.2490 0.4341 8.2574 29.5158 7.3919 9.0990 6.1373 0.0288 30.2776 0.7384 1.7054 1.9374 4.4090 3.2770 15.2073 8.6529 69.5465 1.7600 0.2816 2.1091 10.5815 3.9200 0.4612 0.0611 2.0865 0.5449 14.2518 23.7742 39.8564 77.4957 35.3396 20.2788 11.8503 32.3596 6.6758 3.2545 24.5392 93.8287 2.0299 0.9155 28.8393 9.0774 11.4721 22.2890 29.6704 29.0610 44.5755 123.0370 13.0193 37.2431 1.6755 5.4055 4.4726 1.9332 0.6982 12.2739 25.5409 70.4819 260.0016 127.4488 0.7463 23.1281 2.0105 476.7290 56.8049 12.0512 612.8644 23.7559 39.1596 40.6239 32.8889 4.4154 30.9425 18.1283 12.5948 24.1198 14.3015 7.8196 4.4886 6.6308 3.3252 9.4372 5.0338 0.4715 5.8167 14.2222 14.6087 15.2467 5.3103 3.8785 40.8390 46.9139 0.1792 0.9560 2.9241 3.6994 7.9837 6.6119 0.7869 1.8806 1.4808 0.1118 1.2167 0.7954 4.0589 0.4791 1.5619 2.2170 0.8720 0.8875 2.6532 0.6814 3.4604 2.2646 0.4489 0.5928 0.1932 6.2456 0.7667 4.3395 0.4293 0.5833 0.6969 2.1177 1.4225 2.3527 3.2990 0.5476 5.1833 4.6556 0.5536 1.3176 1.1703 9.1472 5.6041 5.7633 1.8349 3.6502 3.8854 8.6154 1.3588 0.0487 4.1831 17.7305 15.4727 3.6271 1.3294 2.2260 1.6641 1.5401 5.3220 12.8416 1.4009 2.0060 6.2548 1.6436 1.5771 0.8060 3.8185 3.5699 3.1029 24.6081 3.5225 2.8432 12.5978 6.4479 1.3296 1.1731 1.7922 31.1654 5.3045 19.9632 0.0640 30.7091 8.7781 2.2371 3.8437 1.2361 6.6315 4.7222 7.6475 1.8043 1.4698 0.1749 4.3678 31.3785 0.6929 12.6339 8.1226 3.6717 0.8730 8.6016 9.1559 24.1735 5.8860 3.9595 2.2189 8.0884 15.6478 13.2623 0.0548 4.6650 30.9505 2.2410 21.1800 15.3820 5.8156 3.1184 4.0662 4.5308 6.1388 5.4699 5.4873 20.4706 2.3722 9.5761 2.2680 13.8884 7.0129 18.7891 12.7172 0.7437 2.0696 610.6062 8.8182 15.5986 7.6607 13.4353 106.3038 5.1382 31.7050 10.1563 69.8497 115.9856 132.2982 93.7675 69.2222 83.4488 76.4042 71.9530 78.6000 57.4626 47.4679 60.0857 57.3956 38.2865 48.8919 8.9592 124.7553 81.4368 75.5378 120.0959 270.4212 200.6980 72.9021 38.3050 23.0689 0.7180 0.7496 0.7263 0.7468 0.7455 0.7397 0.7098 0.7419 0.7177 0.5693 0.3211 0.6552 0.6796 0.7004 0.6794 0.4502 0.3480 0.7348 0.7499 0.3950 0.5754 0.5220 0.1907 0.4617 0.6185 0.5121 0.7331 0.5456 0.5467 0.6958 0.6675 0.4618 0.7248 0.2218 0.7471 0.3939 0.6602 0.7319 0.6393 0.3143 0.3133 0.2438 0.7469 0.1830 0.2708 0.5339 0.2822 0.2812 0.2508 0.5922 0.2214 0.1312 0.0886 0.1143 0.7205 0.5243 0.3547 0.7405 0.1473 0.0507 0.2750 0.1658 0.1162 0.7357 0.7427 0.6660 0.6255 0.5181 0.6667 0.5105 0.2834 0.2301 0.3011 0.5521 0.4845 0.4044 0.6391 0.1317 0.7476 0.0822 0.4515 0.2777 0.5147 0.5947 0.6501 0.6674 0.5857 0.4357 0.3106 0.4742 0.7487 0.7330 0.7327 0.3838 0.2635 0.5119 0.1780 0.3041 0.5312 0.5192 0.3665 0.3587 0.2242 0.7217 0.6053 0.3156 0.4861 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12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 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 3476.4386 47118.3430 48015.4095 1.00000 0.00291 0.00104 -0.00297 0.99818 0.06019 -0.00087 -0.06019 0.99819 1 0.02491 0.00184 0.00180 0.51913 0.03830 0.03759 18.40 22.17 35.87 48.19 58.43 63.57 106.06 131.52 152.04 163.77 179.71 240.59 269.74 288.08 295.27 320.84 342.95 380.41 400.13 419.13 436.92 447.77 501.56 508.89 517.72 607.56 613.43 640.68 666.86 680.65 692.78 702.50 741.06 764.74 781.90 790.68 810.35 832.32 847.27 871.33 886.81 910.48 917.36 967.64 986.08 996.50 1049.31 1061.24 1118.54 1127.06 1173.43 1207.82 1209.39 1230.10 1239.17 1255.18 1261.95 1271.64 1318.08 1329.25 1343.12 1367.16 1382.54 1415.14 1418.28 1454.17 1465.98 1488.25 1500.36 1527.65 1549.63 1555.88 1567.01 1576.86 1599.36 1616.68 1617.49 1617.87 1627.79 1635.42 1636.50 1659.64 1683.73 1731.11 1743.83 1748.37 1753.84 1759.16 1768.82 1809.77 1818.46 1844.68 1845.80 1861.64 1884.16 1902.65 1916.04 1925.74 1931.45 1952.13 1976.29 1979.95 1995.93 2005.85 2020.32 2041.27 2067.82 2080.15 2112.40 2120.68 2130.75 2145.02 2155.91 2159.76 2202.89 2220.57 2224.81 2247.87 2273.81 2280.24 2292.17 2335.66 2340.99 2346.49 2352.24 2353.06 2371.25 2375.74 2376.70 2383.24 2410.79 2430.99 2562.71 2574.74 2577.83 2606.98 2610.35 2618.25 2619.98 2791.63 4568.63 4570.68 4573.63 4603.56 4643.16 4667.06 4676.87 4695.09 4697.82 4707.05 4750.80 4759.37 4781.08 4837.05 4840.15 4846.32 4852.44 4865.64 4872.48 4887.42 4892.13 4902.49 4920.61 5266.51 5357.65 0.503879 0.528334 0.529278 0.445619 -1733.631790 -1733.607335 -1733.606391 -1733.690051 2.805970D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE c1ccc2c(c1)CC(C2)[NH2+][C@H]3CCc4c(sc5c4c(=O)n(cn5)Cc6ccccc6F)C3 C14989326 RHF 6-31G(d) (6D,10F) C1 446.170238 |X|Y|Z| 36.501730 29.564724 156.450145 55.269782 30 6 7 16 26 3 1 |36.858105| |13.710233|36.858105| |7.900330|13.744249|36.858105| |6.912328|8.000689|13.771177|36.858105| |8.001522|6.913497|7.913828|13.749182|36.858105| |13.744330|7.900526|6.799065|7.912349|13.771652|36.858105| |4.970741|4.478140|5.150710|7.989176|12.598537|7.303033|36.858105| |4.083725|4.084525|5.146168|8.074874|8.068421|5.143025|12.375028|36.858105| |4.476285|4.970418|7.304909|12.591312|7.978168|5.146599|7.749683|12.386347|36.858105| |3.153090|3.150615|3.797041|5.158818|5.169463|3.805854|7.569650|12.645855|7.501850|53.358707| |3.125864|3.121449|3.737652|5.001421|5.019400|3.753076|7.089038|9.270169|6.991647|25.681707|0.500000| |2.960329|2.874925|3.329070|4.375180|4.694086|3.618943|7.153861|9.229191|5.612337|25.667992|0.329809|0.500000| |2.654507|2.736834|3.303814|4.149822|3.879041|3.034887|4.849606|7.340097|6.010851|17.106396|0.256406|0.256077|36.858105| |2.725662|2.896675|3.603906|4.459862|3.902567|3.041580|4.551463|6.895078|6.897057|12.433693|0.221162|0.181467|17.621715|0.500000| |2.262507|2.305591|2.689646|3.235757|3.120002|2.558103|3.832661|4.910648|4.251422|10.497901|0.206023|0.198596|12.466302|0.245583|36.858105| |1.982849|2.049633|2.374220|2.740096|2.586692|2.180740|3.001037|3.737089|3.487177|6.755795|0.132767|0.128818|7.563244|0.192394|12.432004|36.858105| |1.938208|2.010665|2.323657|2.652937|2.493168|2.116694|2.847943|3.589386|3.333417|6.051758|0.111583|0.117503|6.752300|0.172153|7.616809|12.646896|36.858105| |2.114526|2.190254|2.547756|2.949171|2.772058|2.326814|3.190736|4.173980|3.743459|6.821443|0.117547|0.132967|7.729488|0.186580|6.762661|7.601939|14.181045|36.858105| |1.913829|1.985879|2.263710|2.528648|2.385024|2.065613|2.640272|3.273263|3.028243|4.864690|0.086337|0.097142|4.631432|0.121119|4.182689|4.709418|7.360247|10.890740|388.023441| |1.686787|1.753893|1.983843|2.182996|2.057785|1.803974|2.260535|2.723550|2.590276|4.148842|0.076955|0.082621|3.937962|0.105877|3.965451|5.043197|8.141123|7.710336|78.243528|36.858105| |1.713459|1.781174|2.027114|2.251579|2.119538|1.842445|2.356704|2.855435|2.720319|4.536506|0.085615|0.089525|4.488418|0.120572|4.912556|7.269173|13.202642|8.265179|52.690123|13.993159|36.858105| |1.547617|1.608157|1.811302|1.983312|1.873200|1.650704|2.059036|2.422356|2.348297|3.811439|0.074323|0.075457|3.570297|0.097984|4.073238|5.939736|7.331022|5.143486|34.299310|7.867141|13.147828|36.858105| |1.526539|1.584667|1.782819|1.952319|1.846831|1.628798|2.032906|2.367502|2.310351|3.772851|0.075364|0.074434|3.484916|0.096371|4.177690|6.235142|6.273365|4.403148|27.495375|5.374226|8.081575|15.873174|73.516695| |1.420628|1.475728|1.644973|1.776621|1.683022|1.502824|1.825157|2.112208|2.058532|3.225151|0.062794|0.064335|2.903652|0.080031|3.169202|4.163318|5.066394|4.108166|30.986605|7.204301|8.050568|13.629621|14.884562|53.358707| |1.419193|1.474550|1.638917|1.762699|1.670549|1.497290|1.801183|2.085483|2.026341|3.121006|0.059905|0.062500|2.782327|0.076443|2.909482|3.633204|4.644048|4.124998|35.233623|8.610235|7.114180|7.907593|9.664874|19.123978|36.858105| |1.524317|1.584394|1.769072|1.913141|1.810258|1.613543|1.957257|2.296449|2.211850|3.412610|0.064285|0.068376|3.077845|0.083903|3.108535|3.800102|5.224578|5.005447|49.982180|14.043633|7.873087|6.656460|8.340985|11.023814|14.904034|53.358707| |1.294693|1.342858|1.483746|1.587805|1.510013|1.362113|1.625094|1.845555|1.812679|2.795355|0.055292|0.055901|2.440214|0.067663|2.682319|3.393332|3.770907|3.151198|23.168539|4.626163|5.088992|7.702534|12.271447|17.566019|7.796945|7.081566|36.858105| |1.204554|1.240135|1.356956|1.450014|1.394141|1.268274|1.501517|1.681324|1.633827|2.530606|0.049989|0.051300|2.159585|0.059004|2.363739|2.865008|3.161226|2.749504|20.645780|3.905872|4.050716|5.316919|8.646229|10.398544|6.348767|6.164608|12.613285|36.858105| |1.123000|1.157020|1.258428|1.333098|1.281915|1.175168|1.367750|1.518992|1.485286|2.251630|0.044521|0.045610|1.891729|0.052008|2.030223|2.393097|2.625790|2.359022|18.038030|3.255409|3.243614|3.955400|6.512148|7.255822|5.088026|5.246799|7.517863|13.723505|36.858105| |1.057018|1.083419|1.170357|1.238338|1.199437|1.106370|1.279486|1.406614|1.367635|2.075834|0.041070|0.042363|1.718177|0.046908|1.838927|2.116951|2.300148|2.105605|16.103899|2.788274|2.749425|3.202650|5.349796|5.461472|3.976000|4.410506|4.998371|7.880461|13.736272|36.858105| |1.057742|1.077907|1.161800|1.235759|1.205704|1.112716|1.295066|1.417141|1.363795|2.104299|0.041630|0.043318|1.732609|0.046774|1.872552|2.137192|2.305966|2.112747|15.988678|2.730616|2.716965|3.122245|5.261898|5.107408|3.673503|4.207233|4.428127|6.822833|7.949551|13.765894|36.858105| |1.124243|1.143198|1.236829|1.325979|1.296712|1.189996|1.405974|1.544952|1.474614|2.324801|0.045961|0.048074|1.929419|0.051605|2.122655|2.450373|2.640084|2.376784|17.699973|3.076680|3.135620|3.667386|6.199870|5.899006|4.063626|4.630079|5.010931|7.856647|6.876029|7.929039|13.735196|36.858105| |1.202604|1.228737|1.339922|1.441516|1.399909|1.274474|1.522055|1.693438|1.621756|2.572499|0.050812|0.052818|2.178517|0.058478|2.424008|2.897984|3.156299|2.750991|20.311756|3.729940|3.920053|4.925925|8.215755|8.361188|5.267889|5.616571|7.562915|13.749139|8.041932|6.947008|8.022361|13.858471|36.858105| |1.282917|1.307138|1.431611|1.555584|1.515310|1.369861|1.667523|1.864706|1.767199|2.888240|0.057083|0.059617|2.473069|0.065494|2.837644|3.460924|3.718875|3.134868|22.222181|4.106308|4.592886|5.888950|10.117456|8.755397|5.143907|5.752361|6.822562|8.167634|5.318584|4.675765|5.309095|8.174386|14.301660|97.533100| |2.501459|2.568088|3.038213|3.696542|3.506089|2.830258|4.238912|6.094910|4.926876|10.375605|0.157600|0.197551|12.456161|0.245231|7.526576|6.266977|7.519651|12.664641|47.692602|4.826726|5.066476|3.737856|6.101342|4.238760|3.113760|4.935339|2.540311|2.271176|1.992453|1.812267|1.828605|2.034988|2.293266|5.816936|36.858105| |17.730377|8.918869|5.636254|4.973468|5.674334|8.928841|4.028289|3.355943|3.574642|3.682245|0.074729|0.071778|2.318378|0.065679|2.017051|1.787285|1.751430|1.898609|12.382311|1.546699|1.565794|1.424834|2.500257|1.792625|1.317730|1.919253|1.207462|1.129471|1.057585|0.999436|1.000777|1.060333|1.128751|2.699161|2.208621|0.500000| |8.919017|17.730310|8.928831|5.674007|4.974068|5.636363|3.575848|3.356714|4.028606|3.678477|0.074591|0.069033|2.416780|0.071332|2.071560|1.875568|1.848223|1.997644|13.081893|1.640776|1.659678|1.510762|2.647129|1.901423|1.398447|2.037115|1.278580|1.182560|1.109078|1.039708|1.031434|1.088815|1.167597|2.779039|2.290811|0.215766|0.500000| |5.626095|8.898208|17.714090|8.876376|5.625655|4.913275|4.205783|4.502795|6.592150|4.778893|0.096144|0.084840|3.214762|0.100297|2.632012|2.380136|2.341977|2.548764|16.241902|2.018946|2.061092|1.848407|3.232316|2.290228|1.676743|2.458940|1.518800|1.380479|1.282772|1.187991|1.172762|1.244741|1.352959|3.239190|2.966763|0.124014|0.214946|0.500000| |8.897922|5.626107|4.913312|5.625110|8.876382|17.714596|6.587429|4.499272|4.202695|4.795880|0.096752|0.096613|2.809106|0.076551|2.424514|2.064506|2.002167|2.192123|13.918817|1.716630|1.751582|1.576005|2.767538|1.959264|1.434356|2.098934|1.309351|1.227515|1.138524|1.076998|1.087766|1.163937|1.240351|3.001369|2.646448|0.214933|0.124013|0.106846|0.500000| |4.436223|4.002847|4.497579|6.407737|8.842248|6.196306|17.474142|8.729294|6.477259|9.916518|0.221627|0.194901|4.639461|0.120802|3.911916|3.012719|2.762045|2.993465|17.435520|2.157457|2.286915|2.028742|3.612791|2.435249|1.745170|2.550149|1.606397|1.484678|1.349563|1.263607|1.282244|1.395576|1.510346|3.739123|3.846528|0.103050|0.091022|0.104974|0.164047|0.500000| |4.502260|3.912752|4.244687|5.858450|8.704999|6.555844|17.574109|8.684740|5.630377|8.656511|0.158572|0.190052|4.349245|0.109468|3.550098|2.815022|2.723653|3.084300|18.549099|2.212745|2.278894|1.988168|3.466236|2.418381|1.766118|2.622205|1.582246|1.476212|1.347230|1.267646|1.289311|1.400260|1.506168|3.710667|4.071431|0.105962|0.089218|0.098562|0.185406|0.301785|0.500000| |3.844529|3.843536|4.710159|6.715923|6.721022|4.713856|8.831464|17.653827|8.803214|12.432652|0.181708|0.221632|6.814349|0.172469|4.539510|3.609649|3.674932|4.520121|25.949813|2.896078|2.949765|2.454927|4.181320|2.943335|2.172104|3.313719|1.871042|1.712239|1.550286|1.437482|1.448001|1.576066|1.724156|4.254086|6.928292|0.089284|0.089255|0.116707|0.116839|0.174704|0.222051|0.500000| |3.916476|4.509964|6.573642|8.719536|5.858389|4.246155|5.628623|8.674235|17.587881|8.543507|0.155910|0.135109|5.998252|0.205981|4.156243|3.592317|3.569896|4.093091|23.870192|2.825628|2.929626|2.494984|4.304823|2.984335|2.176930|3.267588|1.911963|1.709395|1.555334|1.423657|1.410486|1.520664|1.680918|4.099866|5.275198|0.089291|0.106143|0.186056|0.098567|0.133256|0.126570|0.220598|0.500000| |4.000565|4.435078|6.196168|8.837398|6.399889|4.493627|6.477810|8.737104|17.477639|9.819147|0.217003|0.147706|5.964369|0.200420|4.491269|3.661738|3.334640|3.571625|20.208523|2.522250|2.714620|2.386458|4.254025|2.819437|2.006422|2.936176|1.838974|1.647369|1.492957|1.370877|1.366156|1.479957|1.633464|4.019462|4.485231|0.090977|0.103041|0.164125|0.104888|0.174348|0.133311|0.174394|0.301890|0.500000| |2.284922|2.325920|2.706410|3.247857|3.139146|2.581841|3.833087|4.683476|4.215425|9.771268|0.228394|0.179971|8.807055|0.210666|17.526186|8.845829|5.560027|4.939530|24.191178|3.304824|4.025911|3.571173|6.776267|3.860875|2.579852|3.669739|2.480503|2.193173|1.899830|1.727903|1.757639|1.980386|2.244173|5.862949|5.485323|0.056608|0.058049|0.073433|0.067988|0.113783|0.096459|0.114310|0.110588|0.130913|0.500000| |2.173523|2.174327|2.484296|2.981188|2.979034|2.481902|3.738742|4.551640|3.744844|9.491517|0.180665|0.211393|8.877996|0.173865|17.514447|8.835922|6.635477|6.218805|28.914298|3.814566|4.582951|3.831340|6.896301|4.152164|2.829818|4.124297|2.596793|2.346240|2.013352|1.845262|1.905155|2.178543|2.460804|6.559098|6.966002|0.054279|0.054307|0.066663|0.066559|0.106329|0.100139|0.120324|0.100229|0.106579|0.301857|0.500000| |1.978761|2.074255|2.421774|2.754684|2.542478|2.147548|2.871296|3.561413|3.520172|6.159263|0.125615|0.112911|6.553345|0.194085|8.798428|17.549369|8.934696|6.085876|29.607064|4.547397|6.352200|5.693410|11.240796|5.510769|3.483549|4.850782|3.386188|2.789081|2.353195|2.063214|2.052430|2.319323|2.746647|7.195036|5.234102|0.049491|0.053021|0.068495|0.055967|0.080455|0.073497|0.093912|0.102074|0.105711|0.220225|0.173971|0.500000| |1.811949|1.856786|2.113923|2.410189|2.314676|1.987788|2.674884|3.186648|2.960411|5.619290|0.113327|0.111881|5.533463|0.140014|8.849183|17.626247|8.916735|5.806479|29.081551|4.632927|6.697297|6.278279|12.880379|5.895602|3.633040|4.970715|3.627342|3.087838|2.530044|2.241706|2.291794|2.679093|3.201333|8.945213|4.862754|0.045806|0.047493|0.058650|0.052865|0.075613|0.070728|0.085591|0.083400|0.086453|0.207140|0.220603|0.306091|0.500000| |1.322543|1.372816|1.513752|1.613728|1.533914|1.387690|1.640367|1.873649|1.829010|2.767486|0.053425|0.055592|2.407905|0.066380|2.501017|3.023762|3.681092|3.371182|28.655022|5.948910|5.079886|5.699555|7.822678|12.610629|17.749005|12.822270|7.464935|6.961741|6.164728|4.672092|4.094003|4.294374|5.373668|10.704519|2.667117|0.034291|0.036360|0.043052|0.037027|0.044195|0.044821|0.054165|0.054382|0.050280|0.062657|0.068004|0.081473|0.084616|0.500000| |1.266093|1.320245|1.457898|1.546299|1.461413|1.322723|1.556308|1.764799|1.756218|2.636412|0.052246|0.052335|2.285165|0.064326|2.459137|3.056327|3.380307|2.897787|21.599361|4.172563|4.415251|6.087553|9.902937|12.411279|6.911542|6.527798|17.602682|8.915933|7.279997|4.761927|3.977576|4.178320|5.601109|11.127491|2.371729|0.032844|0.035085|0.041712|0.035217|0.042635|0.041956|0.049696|0.051755|0.049496|0.063739|0.065416|0.086785|0.088357|0.200612|0.500000| |1.304520|1.352030|1.495641|1.604867|1.527242|1.375098|1.649242|1.868736|1.838300|2.861316|0.057215|0.057110|2.497244|0.069352|2.814431|3.613874|3.808510|3.096787|21.660903|4.165270|4.908198|7.778748|15.164288|12.648009|5.788081|5.894833|17.699537|8.867564|5.858384|4.293321|3.984121|4.621500|6.772644|15.534531|2.531263|0.033766|0.035708|0.042486|0.036726|0.045653|0.044411|0.052064|0.053487|0.052347|0.073312|0.075275|0.101643|0.110623|0.147822|0.303055|0.500000| |1.114028|1.153120|1.255038|1.321797|1.263970|1.159995|1.339097|1.489149|1.470140|2.190549|0.043357|0.044077|1.839749|0.051113|1.952203|2.297530|2.520967|2.279245|17.514572|3.136434|3.099141|3.740997|6.167000|6.828334|4.897466|5.089869|6.970211|8.935723|17.704137|8.927579|5.654401|4.952569|5.689908|9.616053|1.932513|0.029150|0.030802|0.035709|0.031124|0.036637|0.036510|0.042201|0.042969|0.041068|0.050938|0.053220|0.063691|0.066509|0.168978|0.223635|0.151218|0.500000| |1.007097|1.032878|1.111790|1.170236|1.133217|1.050003|1.201882|1.315299|1.284265|1.925056|0.038127|0.039233|1.580911|0.043337|1.675744|1.906513|2.062985|1.912488|14.680277|2.483604|2.426391|2.765399|4.644048|4.606864|3.426415|3.915956|4.080008|5.625870|8.916688|17.736219|8.912417|5.640795|4.991815|8.325636|1.665454|0.026521|0.027623|0.031387|0.028403|0.032940|0.033090|0.037354|0.037146|0.035716|0.043945|0.046601|0.051925|0.055562|0.112053|0.113329|0.099357|0.215646|0.500000| |1.008185|1.024375|1.098765|1.166321|1.142641|1.059689|1.225095|1.330681|1.278557|1.965867|0.038933|0.040608|1.600988|0.043147|1.721578|1.932871|2.070339|1.921963|14.525245|2.411812|2.386736|2.673989|4.541847|4.237142|3.093218|3.669131|3.543285|4.926970|5.648844|8.915605|17.731115|8.933242|5.688225|9.614602|1.688141|0.026578|0.027267|0.030745|0.028863|0.033711|0.033993|0.037782|0.036609|0.035522|0.045086|0.048879|0.051524|0.057343|0.094644|0.090528|0.090706|0.124251|0.214548|0.500000| |1.118628|1.131624|1.220600|1.312926|1.292786|1.188455|1.408714|1.538072|1.456082|2.322395|0.045957|0.048424|1.909924|0.050622|2.114228|2.401431|2.556202|2.317910|17.041172|2.879936|2.952620|3.353624|5.749159|5.108346|3.537016|4.208171|4.106655|5.628891|4.956193|5.625072|8.833736|17.744611|8.985782|16.767740|2.010671|0.029343|0.029885|0.033963|0.032423|0.038946|0.039152|0.043550|0.041446|0.040570|0.054896|0.061112|0.062448|0.073496|0.100693|0.096369|0.109425|0.107561|0.123620|0.212995|0.500000| 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