Version2.3 2021-04-01T21:34:38Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 09-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c(n(n1)c2ccccc2)N3CC[NH+](CC3)C)CN(CC(C)C)C(=O)C(C)(C)CCl C34834368 RHF 6-31G(d) (6D,7F) Cc1c(c(n(n1)c2ccccc2)N3CC[NH+](CC3)C)CN(CC(C)C)C(=O)C(C)(C)CCl C01[X(C25H39Cl1N5O1)] 207 C1 562 ClCC(C(=O)N(Cc1c(C)nn(c1N1CC[NH+](CC1)C)c1ccccc1)CC(C)C)(C)C ClCC(C(=O)N(Cc1c(C)nn(c1N1CC[NH+](CC1)C)c1ccccc1)CC(C)C)(C)C CC(C)CN(Cc1c(C)nn(c2ccccc2)c1N3CC[NH+](C)CC3)C(=O)C(C)(C)CCl InChIKey=VCHMGUAEAFIWDI-UHFFFAOYSA-O InChI=1S/C25H38ClN5O/c1-19(2)16-30(24(32)25(4,5)18-26)17-22-20(3)27-31(21-10-8-7-9-11-21)23(22)29-14-12-28(6)13-15-29/h7-11,19H,12-18H2,1-6H3/p+1 InChI=1/C25H38ClN5O/c1-19(2)16-30(24(32)25(4,5)18-26)17-22-20(3)27-31(21-10-8-7-9-11-21)23(22)29-14-12-28(6)13-15-29/h7-11,19H,12-18H2,1-6H3/p+1/fC25H39ClN5O/h28H/q+1 Cc1c(c(n(n1)c2ccccc2)N3CC[NH+](CC3)C)CN(CC(C)C)C(=O)C(C)(C)CCl C01[X(C25H39Cl1N5O1)] 207 C01 562 ClCC(C(=O)N(Cc1c(C)nn(c1N1CC[NH+](CC1)C)c1ccccc1)CC(C)C)(C)C ClCC(C(=O)N(C[C]1[C]([N][N@@]([C]1N1CC[NH](CC1)C)[C]1[CH][CH][CH][CH][CH]1)C)CC(C)C)(C)C C[C]1[N]N([C]2[CH][CH][CH][CH][CH]2)[C]([C]1CN(CC(C)C)C(=O)C(C)(C)CCl)N3CC[NH](C)CC3 InChIKey=KOERZCJQBKQCRX-UHFFFAOYSA-N InChI=1S/C25H39ClN5O/c1-19(2)16-30(24(32)25(4,5)18-26)17-22-20(3)27-31(21-10-8-7-9-11-21)23(22)29-14-12-28(6)13-15-29/h7-11,19,28H,12-18H2,1-6H3 InChI=1/C25H39ClN5O/c1-19(2)16-30(24(32)25(4,5)18-26)17-22-20(3)27-31(21-10-8-7-9-11-21)23(22)29-14-12-28(6)13-15-29/h7-11,19,28H,12-18H2,1-6H3 3658.4934066894 -1775.7639504 1-A 18597.8677 124 438 562 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.85602 -20.60492 -15.86730 -15.72918 -15.70953 -15.67327 -15.66283 -11.45119 -11.45114 -11.44931 -11.42853 -11.41953 -11.41834 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-0.42849 -0.40674 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.01995 0.03733 0.04520 0.06529 0.08397 0.08715 0.10044 0.10595 0.11109 0.12242 0.12430 0.12695 0.13447 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5.2342 14.6712 21.0182 11.7664 33.4447 4.6583 11.7117 79.9977 6.1964 31.9963 87.4258 26.7319 56.6020 66.2563 160.9866 23.7393 165.7435 55.4137 210.3723 45.8440 46.6487 7.5030 93.3437 38.2517 154.0896 70.9858 57.9234 84.8854 38.8230 50.4720 37.5802 50.9866 62.3426 64.7868 60.0720 48.1677 25.2061 34.6204 68.3764 40.3868 47.7182 96.3810 49.1153 119.4819 195.3765 39.1836 68.6134 27.6693 0.7420 0.7115 0.6985 0.7481 0.7096 0.7018 0.6778 0.7150 0.6566 0.7385 0.4499 0.6702 0.6901 0.5060 0.4691 0.2901 0.6905 0.6160 0.7474 0.4735 0.2537 0.6191 0.2216 0.5069 0.7448 0.1614 0.7104 0.5503 0.5628 0.5855 0.6733 0.6217 0.4516 0.1936 0.2791 0.2218 0.5107 0.5023 0.5420 0.6172 0.5805 0.2092 0.3905 0.1718 0.4503 0.1729 0.5306 0.7427 0.6565 0.4080 0.3391 0.7483 0.3839 0.7496 0.0416 0.2510 0.1533 0.7373 0.6081 0.4461 0.0546 0.6744 0.3335 0.2543 0.4707 0.7397 0.5207 0.1773 0.7321 0.6153 0.4153 0.7465 0.5582 0.6821 0.6637 0.5089 0.7340 0.6867 0.7496 0.5913 0.7500 0.4481 0.7251 0.1662 0.1140 0.3159 0.7027 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0.6585 0.5481 0.4331 0.3310 0.6902 0.1067 0.0837 0.5455 0.6212 0.1064 0.0929 0.0506 0.8570 0.0523 0.8561 0.7584 0.8494 0.0367 0.8331 0.6231 0.4639 0.5061 0.8383 0.3993 0.4393 0.8563 0.8210 0.1931 0.8528 0.8563 0.8503 0.8567 0.8259 0.8276 0.8563 0.7868 0.3332 0.1979 0.8430 0.3677 0.3674 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 67 68 69 70 71 6 6 6 6 7 7 6 6 6 6 6 6 7 6 6 7 1 6 6 6 6 7 6 6 6 6 6 8 6 6 6 6 17 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 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 34.96885 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 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 8032.1034 28086.6359 30542.7668 0.99993 0.00666 -0.01001 -0.00670 0.99997 -0.00320 0.00999 0.00327 0.99994 1 0.01078 0.00308 0.00284 0.22469 0.06426 0.05909 27.99 30.93 36.53 41.01 52.12 69.35 71.91 89.58 94.20 109.88 125.26 138.14 153.67 168.47 174.96 213.28 238.14 253.09 263.37 289.33 293.66 315.00 345.14 346.24 355.32 369.91 380.98 389.80 402.01 422.47 430.07 445.04 458.03 491.03 498.84 511.80 543.00 546.82 579.47 587.38 602.06 644.97 664.57 668.66 701.90 706.12 717.55 734.04 763.00 791.64 807.81 860.75 958.09 972.30 989.75 1003.44 1043.57 1077.13 1104.28 1118.49 1130.13 1146.85 1184.53 1196.08 1220.70 1242.73 1256.44 1268.00 1300.67 1329.01 1375.04 1400.30 1422.45 1433.36 1438.83 1451.95 1464.93 1494.14 1499.45 1504.45 1510.15 1526.35 1538.69 1566.62 1571.60 1589.36 1599.40 1608.96 1621.78 1632.36 1640.95 1643.33 1643.84 1649.73 1694.92 1696.19 1715.69 1732.14 1752.17 1770.41 1781.80 1798.96 1801.85 1838.45 1859.81 1867.25 1879.30 1883.92 1901.09 1911.57 1920.87 1946.18 1959.15 1965.56 2020.53 2024.78 2036.83 2060.10 2080.75 2101.79 2106.78 2116.70 2117.87 2130.63 2164.50 2168.71 2190.55 2195.06 2214.17 2216.29 2241.16 2242.51 2250.85 2256.15 2258.32 2269.20 2273.98 2274.48 2288.01 2293.87 2312.89 2318.94 2333.78 2335.27 2335.61 2339.60 2344.82 2353.10 2355.78 2357.81 2359.04 2361.09 2362.55 2363.03 2365.12 2371.32 2374.50 2380.45 2381.07 2387.94 2390.71 2394.18 2410.02 2427.15 2566.56 2578.28 2601.12 2725.04 4529.72 4541.02 4565.97 4599.48 4622.60 4627.25 4641.06 4642.56 4650.47 4655.94 4683.30 4692.47 4696.20 4709.35 4713.39 4718.07 4748.26 4750.79 4761.16 4763.60 4765.89 4772.24 4774.86 4781.43 4785.10 4795.77 4803.78 4811.36 4814.91 4837.31 4840.45 4844.68 4858.30 4870.32 4882.34 4895.61 4897.23 4913.49 5296.42 0.670413 0.702170 0.703114 0.604725 -1775.093537 -1775.061781 -1775.060837 -1775.159225 3.299950D-04 MUNgauss RevisionA2.1 retrievium 01-Apr-2021 DUDE Cc1c(c(n(n1)c2ccccc2)N3CC[NH+](CC3)C)CN(CC(C)C)C(=O)C(C)(C)CCl C34834368 RHF 6-31G(d) (6D,10F) C1 460.284314 |X|Y|Z| 117.094481 55.638361 42.316948 65.084119 17 6 7 13 4 |36.858105| |12.703264|36.858105| |7.167725|13.331139|36.858105| |5.184598|8.674439|13.935456|36.858105| |5.380932|8.992766|8.662077|14.072442|53.358707| |7.886948|14.637000|8.476634|8.615064|19.462013|53.358707| |3.978514|5.495370|5.304865|7.609652|18.239602|10.857777|36.858105| |3.572286|4.569501|4.253945|5.417351|10.702248|8.605263|13.752225|36.858105| |2.861665|3.449853|3.280741|4.015475|7.022584|6.000415|7.950379|13.744854|36.858105| |2.575566|3.079707|3.003428|3.696306|6.185874|5.194261|6.876938|7.926653|13.749337|36.858105| |2.718540|3.324207|3.314152|4.212056|7.005089|5.593082|7.944290|6.867586|7.940917|13.735689|36.858105| |3.306296|4.290247|4.326294|5.927090|10.643067|7.523288|13.737378|7.923293|6.873623|7.929832|13.751486|36.858105| |3.768639|5.299258|7.495779|13.537578|10.875803|7.349049|6.480447|4.829680|3.865194|3.727951|4.345268|5.872434|53.358707| |3.230274|4.255348|5.546014|7.763546|7.941853|5.912435|5.340927|4.584011|3.799405|3.572231|3.893330|4.741246|17.976705|36.858105| |2.618496|3.280347|3.954648|5.184407|6.082068|4.692523|4.628847|4.113288|3.727014|3.716790|4.076412|4.587494|10.735424|12.518901|36.858105| |2.420927|2.966260|3.608402|4.497247|5.168758|4.129813|3.818787|3.301612|3.053110|3.168111|3.610509|4.036370|9.164367|7.677514|12.646966|53.358707| |2.378400|2.874726|3.554003|4.221432|4.727229|3.889003|3.363114|2.956904|2.710937|2.755044|3.070831|3.438058|8.242900|7.156398|9.316763|25.684664|0.500000| |2.651381|3.297791|4.069708|5.172542|5.816207|4.579004|4.182984|3.388641|3.076127|3.254877|3.933770|4.655661|10.735358|6.604223|7.660996|17.223242|0.258898|36.858105| |3.292506|4.295572|5.871545|7.734300|7.397881|5.700710|4.705912|3.659340|3.132702|3.168003|3.774282|4.818844|17.997764|7.885937|6.600756|10.440152|0.198537|12.506247|36.858105| |2.054754|2.441144|2.833970|3.396330|4.160343|3.439216|3.200676|2.874253|2.792630|2.988679|3.354801|3.494133|6.143050|4.986845|7.668941|17.391879|0.260405|7.670532|4.984042|36.858105| |5.608761|7.109257|12.593798|7.449399|7.079460|6.961056|3.806270|3.227262|2.641449|2.472034|2.705929|3.345662|8.103374|4.876569|3.601705|4.721163|0.099800|3.856620|5.550065|2.732066|36.858105| |5.587301|5.881193|7.499812|5.079747|5.538985|5.832488|3.145117|2.819358|2.347239|2.169600|2.308709|2.752211|5.775586|3.860257|2.979510|3.862090|0.082430|3.015408|3.937352|2.322830|13.002096|53.358707| |4.210710|4.491535|5.529953|4.343067|4.826056|4.895290|2.872646|2.663470|2.249649|2.065872|2.159296|2.515352|5.326986|3.899703|3.016792|3.847503|0.083850|2.859373|3.584154|2.325567|7.731870|17.731698|36.858105| |4.089033|4.587177|5.484297|4.658519|5.291006|5.263685|3.185309|3.047888|2.538170|2.273027|2.328405|2.700492|5.726876|4.519383|3.377028|4.067194|0.087529|2.914185|3.576663|2.448250|6.164632|10.235141|12.395049|36.858105| |3.080906|3.376768|3.910407|3.606113|4.227329|4.106736|2.700176|2.644439|2.283962|2.065862|2.091803|2.355739|4.790337|4.018908|3.199626|3.875222|0.085086|2.665215|3.103616|2.388816|4.349951|6.767254|7.628163|12.426615|36.858105| |4.563085|4.776546|4.951329|4.194416|5.212149|5.551686|3.167535|3.149619|2.604730|2.278143|2.285341|2.625259|4.895195|3.750179|2.919920|3.483116|0.072897|2.525594|3.022905|2.155619|4.922203|8.240491|7.452136|12.455759|7.562512|36.858105| |5.568007|5.080254|5.618774|4.038898|4.702057|5.136978|2.747755|2.477249|2.101827|1.963963|2.091730|2.460453|4.654207|3.074192|2.496632|3.305996|0.070013|2.618993|3.304699|2.043869|7.958465|18.811945|7.513692|5.062077|3.811087|4.654911|36.858105| |5.907624|5.265464|5.619971|4.066034|4.807823|5.314541|2.801633|2.476074|2.107470|1.993828|2.153607|2.552161|4.636155|2.946527|2.433464|3.272964|0.068489|2.668676|3.380632|2.033400|7.362863|11.670565|5.308950|4.034385|3.155693|3.795542|15.810629|73.516695| |4.292239|3.764395|3.925263|3.081346|3.743526|4.084157|2.284856|2.121345|1.837966|1.717234|1.801305|2.065233|3.687963|2.533898|2.123211|2.812243|0.059756|2.179280|2.628098|1.781020|4.924297|10.026063|6.098163|4.332526|3.537104|4.207353|12.251311|14.280168|36.858105| |4.299055|3.656355|3.627277|2.910318|3.645958|4.049783|2.250357|2.144584|1.857168|1.709006|1.761833|2.000999|3.457141|2.434134|2.041347|2.644053|0.055785|2.012196|2.386742|1.687006|4.171400|8.199639|5.710930|4.545010|3.727758|4.940632|7.402681|9.720228|12.369832|36.858105| |3.273595|3.065853|3.335177|2.744289|3.291638|3.459451|2.054863|1.914099|1.682739|1.586787|1.664709|1.887210|3.436139|2.414968|2.056594|2.766464|0.059757|2.115746|2.509268|1.763298|4.280090|8.034408|5.791705|4.032356|3.561698|3.663297|7.490837|10.049985|12.348196|7.428616|36.858105| |4.001746|3.373902|3.369806|2.717700|3.396993|3.749483|2.105922|1.950994|1.710137|1.613897|1.699183|1.934883|3.261656|2.206273|1.892662|2.535702|0.053348|1.992198|2.363748|1.629715|3.973291|6.873315|4.147300|3.259601|2.754812|3.254545|7.801498|13.391285|12.295571|7.592378|7.587300|36.858105| |3.022820|2.605007|2.580303|2.178365|2.775831|3.028925|1.772605|1.673387|1.492637|1.411825|1.470550|1.642490|2.678161|1.853203|1.624484|2.177463|0.045835|1.685409|1.942557|1.424602|2.927852|4.845879|3.235007|2.680993|2.386901|2.724838|4.626983|7.825236|6.789351|5.988321|5.958758|10.581793|448.794386| |17.613469|8.900960|6.361039|4.634567|6.264515|8.278004|3.514563|3.102543|2.559567|2.366454|2.537141|3.064617|4.784111|2.973068|2.455287|3.174430|0.064002|2.596388|3.227476|1.990014|5.573777|7.530259|4.004229|3.659565|2.830974|3.880656|6.163844|13.240114|4.629844|4.328467|3.461912|4.592299|26.613288|0.500000| |17.612003|9.022228|5.466049|4.469763|6.854177|10.457825|3.954289|3.664455|2.959922|2.640822|2.746357|3.282928|4.573931|2.927227|2.437553|3.051710|0.060584|2.441384|2.935216|1.935340|4.310679|5.801383|3.457340|3.474375|2.729826|3.972204|4.274829|8.047218|3.559790|3.676966|2.805708|3.438007|21.967116|0.300087|0.500000| |17.585698|8.859923|6.303636|4.587995|6.211857|8.264629|3.502562|3.264642|2.650884|2.366997|2.455001|2.918371|4.737901|3.117730|2.516939|3.149560|0.063960|2.474995|3.042434|1.969320|5.496662|8.531179|4.816074|4.669766|3.426470|5.589703|6.254367|10.579807|5.013521|5.416976|3.661728|4.430857|26.755799|0.302636|0.301245|0.500000| |3.859124|4.856531|4.363315|5.220918|9.869404|9.008113|8.946389|17.737992|8.880175|5.634126|4.951097|5.648868|6.065453|4.382727|3.768319|4.117912|0.077244|3.053199|3.375517|2.622984|3.307310|4.049927|2.842659|3.346167|2.869237|3.603040|2.595510|4.536897|2.237451|2.307868|2.000731|2.037277|14.042276|0.090275|0.110891|0.100241|0.500000| |2.625125|3.060368|2.891907|3.401124|5.694564|5.146588|5.655466|8.931878|17.727631|8.913344|5.646243|4.953254|4.458784|3.323517|3.275185|3.679197|0.067800|2.668434|2.708787|2.515251|2.385948|2.955669|2.110978|2.398965|2.193676|2.502370|1.956035|3.459069|1.737776|1.776869|1.596025|1.617825|11.465801|0.065180|0.076035|0.068782|0.214358|0.500000| |2.258653|2.627591|2.569253|3.066845|4.923581|4.292588|4.954751|5.641484|8.913609|17.725989|8.909247|5.642882|4.259236|3.061220|3.262540|3.876441|0.069402|2.882103|2.749427|2.782472|2.172906|2.633717|1.857910|2.033155|1.877837|2.040291|1.768161|3.187438|1.566032|1.561762|1.457384|1.479682|10.503200|0.058210|0.064501|0.058248|0.123910|0.214829|0.500000| |2.436412|2.907991|2.931543|3.614840|5.676412|4.704899|5.649776|4.949459|5.646500|8.908467|17.716126|8.924672|5.197336|3.430012|3.710675|4.725315|0.081916|3.840561|3.530717|3.359826|2.470459|2.881583|1.981431|2.103427|1.911383|2.048741|1.941206|3.575479|1.683357|1.634949|1.568467|1.601405|11.193472|0.064354|0.068167|0.061350|0.107501|0.124122|0.214786|0.500000| |3.330735|4.314382|4.498345|6.091144|9.779595|7.138296|8.932763|5.647568|4.954366|5.637149|8.891057|17.726637|8.412533|4.608146|4.447567|5.738746|0.099809|5.317239|5.566743|3.605448|3.538223|3.862094|2.544779|2.654573|2.306753|2.534571|2.560453|4.809543|2.124550|2.020212|1.946180|2.005308|13.554822|0.088276|0.090217|0.080739|0.124471|0.107570|0.123974|0.214466|0.500000| |3.118177|3.963403|5.283200|6.378135|6.447368|5.206518|4.190795|3.730693|3.160981|2.970840|3.185525|3.764576|12.244089|17.436081|8.842310|9.299348|0.207469|5.724136|6.977580|4.587289|5.202577|5.741205|4.505355|5.244208|4.820861|4.013630|3.268375|5.425203|2.704448|2.580297|2.633851|2.305977|15.547191|0.080579|0.077317|0.085773|0.102717|0.079132|0.072513|0.079890|0.103894|0.500000| |3.358802|4.437803|5.419471|7.417923|8.542325|6.394361|5.907902|5.466374|4.354892|3.860589|4.003082|4.803157|12.505559|17.635152|8.985983|7.620605|0.144952|4.954671|5.702906|4.146404|4.512241|5.115488|3.852810|4.771740|4.207348|4.154111|2.997069|5.052778|2.503890|2.471845|2.352299|2.174779|14.760429|0.083447|0.085754|0.090972|0.150931|0.106538|0.090825|0.095012|0.122038|0.302055|0.500000| |2.372032|2.886846|3.397442|4.186665|5.057917|4.090365|3.855955|3.641808|3.398075|3.341639|3.498700|3.758542|7.697577|8.765667|17.618087|12.355890|0.225378|5.602647|4.946595|7.145035|3.184135|3.734207|2.865773|3.261528|3.238457|2.823465|2.310974|3.954950|2.006704|1.950217|1.966459|1.783036|12.449614|0.061725|0.061696|0.064388|0.095365|0.085903|0.083818|0.089505|0.099814|0.214851|0.210482|0.500000| |2.584963|3.241863|3.745391|5.018348|6.396296|4.834306|5.347509|4.748495|4.450982|4.602707|5.127326|5.582311|9.656259|8.845042|17.635802|12.397959|0.181873|6.991906|5.819411|7.088104|3.278578|3.716922|2.709232|3.022554|2.827019|2.719617|2.333116|4.096385|1.992889|1.928809|1.908140|1.801333|12.459465|0.067064|0.068034|0.068119|0.114841|0.105514|0.110230|0.127412|0.143734|0.173384|0.216911|0.299073|0.500000| |2.414107|2.907779|3.522827|4.177680|4.804633|3.966156|3.432810|2.858012|2.642164|2.810821|3.348455|3.821616|7.700430|4.949985|5.601378|12.354512|0.225454|17.616804|8.765701|7.140005|3.492397|3.800344|2.648528|2.631053|2.441832|2.283879|2.480598|4.528651|2.088577|1.908508|2.056130|1.929293|13.190787|0.066797|0.061846|0.062892|0.072508|0.064767|0.070711|0.093513|0.121903|0.128828|0.108908|0.126589|0.143201|0.500000| |2.614073|3.254485|3.838148|4.997840|6.075081|4.702347|4.676906|3.705962|3.436416|3.791909|4.844464|5.698025|9.634638|5.814480|6.993838|12.422800|0.182082|17.640147|8.825795|7.108275|3.465654|3.751448|2.590352|2.671918|2.433327|2.387724|2.431194|4.446493|2.038175|1.902613|1.954541|1.886280|12.881749|0.070750|0.068072|0.066962|0.089666|0.081139|0.092433|0.134438|0.186895|0.132943|0.130711|0.143328|0.210373|0.299303|0.500000| |3.481910|4.516777|5.972201|7.371354|7.481896|5.957061|4.661935|3.536954|3.033038|3.106117|3.786392|4.939140|12.507665|5.700617|4.950741|7.610653|0.144766|8.962825|17.626435|4.141984|5.533323|5.286875|3.371015|3.263450|2.792975|2.844974|3.393112|6.435096|2.666679|2.389360|2.508301|2.454351|16.028717|0.097334|0.086200|0.086960|0.090083|0.072586|0.074917|0.099839|0.170653|0.142504|0.127890|0.108825|0.130747|0.210160|0.215979|0.500000| |3.175094|3.993464|5.574457|6.350477|6.119802|5.045255|3.839200|3.146470|2.720084|2.710087|3.114600|3.805212|12.233701|6.971223|5.720795|9.303730|0.207451|8.863425|17.446276|4.589912|6.111586|5.880656|4.003251|3.838529|3.368150|3.109648|3.568980|6.371819|2.826368|2.517953|2.765106|2.500746|16.426881|0.087559|0.077458|0.083513|0.083162|0.066900|0.066555|0.081651|0.117814|0.203952|0.142386|0.128701|0.133008|0.215685|0.173478|0.302454|0.500000| |2.039055|2.425624|2.754196|3.347519|4.255917|3.494094|3.409482|3.064677|3.057749|3.390158|3.866820|3.875365|5.912596|4.621478|6.984506|12.340704|0.181507|6.976584|4.617693|17.651484|2.583198|2.993711|2.175605|2.301973|2.220166|2.070743|1.951879|3.479235|1.702526|1.622181|1.667500|1.570965|11.042345|0.054690|0.053937|0.053843|0.075992|0.075758|0.088281|0.110101|0.109999|0.112833|0.111186|0.174471|0.213200|0.174030|0.213555|0.111009|0.112857|0.500000| |1.946445|2.280157|2.641582|3.078608|3.757370|3.170224|2.837329|2.536400|2.461600|2.640739|2.981182|3.113574|5.397342|4.154872|5.585575|12.306711|0.224044|7.088120|4.652806|17.645555|2.604700|3.026904|2.213065|2.276951|2.224803|2.003178|1.983379|3.532041|1.735807|1.628809|1.732846|1.600070|11.261245|0.053007|0.050843|0.051802|0.064780|0.061968|0.068907|0.084473|0.091459|0.110274|0.096826|0.145430|0.144044|0.218900|0.176497|0.111339|0.123327|0.299101|0.500000| |1.936883|2.275724|2.618346|3.079859|3.804866|3.195626|2.925187|2.715061|2.661085|2.796064|3.021923|3.097085|5.396512|4.654556|7.081840|12.309311|0.224294|5.587309|4.153225|17.645962|2.545090|3.013146|2.263039|2.415151|2.416266|2.126738|1.944129|3.399024|1.715405|1.639822|1.709513|1.561970|11.055942|0.051838|0.050804|0.052148|0.069934|0.067870|0.073231|0.083103|0.086487|0.123234|0.111423|0.218895|0.175810|0.145441|0.144278|0.096750|0.110335|0.299203|0.299134|0.500000| |4.345694|5.473941|8.998467|7.136521|6.548243|5.987672|3.695954|3.157910|2.620349|2.470109|2.703507|3.304249|9.186495|5.830253|4.155266|5.505667|0.120491|4.381402|6.486093|3.079142|17.562705|12.594325|7.803894|6.518875|4.842427|4.703947|5.995079|9.635826|4.223380|3.663281|3.980335|3.413601|21.178310|0.117925|0.098537|0.120182|0.089015|0.065820|0.060533|0.068865|0.096747|0.188082|0.141183|0.101899|0.100675|0.109415|0.104701|0.163118|0.220716|0.078982|0.081246|0.079858|0.500000| |5.169914|6.088197|8.944728|6.169345|6.258710|6.211342|3.486100|2.924809|2.446412|2.339499|2.599476|3.197277|7.103822|4.159922|3.270055|4.480736|0.094484|3.809363|5.433630|2.638912|17.670637|12.541497|5.864412|4.635044|3.564307|3.910310|7.871031|15.637242|4.847806|3.876976|4.263023|4.169178|24.163273|0.156108|0.112644|0.134959|0.081607|0.061304|0.057534|0.067071|0.096802|0.120688|0.105062|0.080138|0.083842|0.099012|0.095234|0.163388|0.167774|0.069504|0.071290|0.067510|0.303740|0.500000| |3.546594|3.868730|4.906407|4.091545|4.464644|4.368611|2.716710|2.498573|2.142868|1.997859|2.104253|2.436172|5.353566|3.987830|3.132993|4.104324|0.091927|3.020057|3.767323|2.465839|7.099794|12.464428|17.488133|8.864156|7.296923|5.481664|6.187718|8.429136|5.177677|4.577960|5.545114|3.733358|23.996939|0.096048|0.082782|0.107535|0.072677|0.055729|0.050157|0.054148|0.069152|0.133710|0.105127|0.083182|0.076574|0.078735|0.074340|0.096583|0.122498|0.063034|0.065735|0.066795|0.232784|0.159631|0.500000| |3.849226|3.848846|4.380511|3.542031|4.128438|4.281786|2.521128|2.380184|2.041523|1.876431|1.943536|2.227492|4.373171|3.218264|2.593719|3.330789|0.072280|2.465966|2.989223|2.064982|5.644314|12.436660|17.770865|8.950285|6.906462|6.964333|7.147808|8.790820|7.142604|7.225109|7.088184|4.519986|29.122178|0.102974|0.089743|0.125861|0.070884|0.053831|0.047316|0.049837|0.062383|0.101010|0.089471|0.069409|0.065599|0.064304|0.062817|0.079328|0.091430|0.053944|0.054944|0.056204|0.152563|0.131159|0.305564|0.500000| |4.227955|5.187991|6.734516|6.016529|6.439717|6.064335|3.783530|3.550005|2.887572|2.574365|2.659186|3.145628|7.421957|6.051415|4.142239|4.817095|0.102920|3.432592|4.338097|2.804479|6.998807|9.520496|8.879107|17.542722|8.931377|8.947570|4.673941|7.010133|3.798692|3.823021|3.516732|2.992985|19.639953|0.103882|0.099828|0.127178|0.107514|0.074563|0.063092|0.065974|0.085478|0.198614|0.180157|0.108692|0.101195|0.083777|0.086799|0.106539|0.127574|0.073116|0.071335|0.076260|0.219548|0.139789|0.209817|0.175494|0.500000| |2.878808|3.027173|3.387008|3.075020|3.691776|3.670833|2.379609|2.343663|2.050915|1.864405|1.882211|2.099007|4.039288|3.277161|2.708402|3.354908|0.073376|2.336522|2.685479|2.114289|3.805543|6.209815|6.912973|8.754542|17.536669|6.793802|3.706909|5.397333|3.660732|3.991212|3.787017|2.823603|20.139895|0.074373|0.071396|0.090294|0.070596|0.055165|0.047474|0.048126|0.057307|0.105641|0.094546|0.076181|0.067631|0.060386|0.059730|0.068541|0.080795|0.054874|0.055342|0.059426|0.113326|0.089558|0.180944|0.205059|0.173623|0.500000| |2.889056|3.192022|3.594552|3.458833|4.179382|4.022720|2.741203|2.758514|2.398732|2.143894|2.135241|2.374590|4.644369|4.042188|3.278191|3.849534|0.083383|2.593007|2.944785|2.402048|3.752694|5.550727|5.515019|8.776040|17.556687|6.958208|3.237970|4.923152|3.015316|3.227788|2.983716|2.433811|17.196856|0.072812|0.072729|0.088261|0.084107|0.064741|0.054275|0.053911|0.063559|0.131114|0.122795|0.094383|0.081060|0.065449|0.066611|0.073251|0.086506|0.062433|0.061380|0.068359|0.114502|0.086765|0.145660|0.141366|0.212884|0.302469|0.500000| |2.823522|3.137236|3.745356|3.534996|4.053019|3.842119|2.613507|2.519374|2.200809|2.024531|2.071898|2.328574|4.922977|4.212103|3.402412|4.212961|0.095210|2.847308|3.291002|2.578689|4.308845|6.374753|6.934178|8.723282|17.527770|5.480590|3.621810|5.427057|3.323825|3.334137|3.478813|2.627145|18.294007|0.073533|0.069529|0.084986|0.074238|0.058338|0.051278|0.053036|0.064009|0.148150|0.116811|0.096699|0.081441|0.073054|0.070819|0.080837|0.102201|0.065375|0.067039|0.072877|0.141214|0.099960|0.219887|0.168308|0.213408|0.301824|0.301439|0.500000| |4.004361|3.937081|3.997408|3.418495|4.314007|4.628898|2.694331|2.694847|2.289209|2.025264|2.025470|2.288929|4.094682|3.122951|2.529090|3.080282|0.064813|2.232560|2.621307|1.941864|4.141221|7.215985|6.671214|8.774081|6.915320|17.544027|4.428941|6.344227|4.378995|5.599615|3.857553|3.348913|23.247362|0.097814|0.098857|0.138127|0.084548|0.061774|0.051022|0.051014|0.061760|0.093197|0.093997|0.068717|0.065706|0.056970|0.058715|0.069247|0.075541|0.051792|0.050605|0.053483|0.109994|0.095740|0.139917|0.203102|0.173940|0.203510|0.173940|0.140116|0.500000| |6.083681|6.103076|5.813534|4.622977|5.887845|6.699350|3.443894|3.376909|2.735273|2.382688|2.406775|2.808226|5.069079|3.679228|2.858248|3.435311|0.070947|2.558229|3.110603|2.123180|5.426489|9.098989|6.804797|8.751158|5.485505|17.609821|5.261405|7.721723|4.543332|5.349050|3.699762|3.568892|23.234843|0.135276|0.142037|0.224939|0.108127|0.072292|0.058799|0.059626|0.075511|0.105598|0.112563|0.075136|0.075213|0.064121|0.067887|0.083245|0.087388|0.057197|0.054965|0.057452|0.133611|0.119374|0.138480|0.173697|0.211204|0.139619|0.141116|0.122317|0.301391|0.500000| |4.052352|4.368325|4.427079|4.037275|5.215878|5.446454|3.285226|3.400231|2.813600|2.410321|2.368572|2.685471|4.807767|3.820642|3.010373|3.494351|0.072361|2.486971|2.906913|2.180981|4.148981|6.325772|5.453849|8.807635|6.865892|17.551514|3.725598|5.672455|3.398166|3.907973|3.036271|2.760097|19.049973|0.095032|0.102625|0.131158|0.111198|0.076174|0.059987|0.058497|0.070559|0.111110|0.123096|0.082019|0.078641|0.061973|0.066037|0.075255|0.081494|0.058585|0.055696|0.060300|0.113268|0.093881|0.123282|0.141269|0.216793|0.166467|0.207528|0.140833|0.302504|0.302303|0.500000| |4.067010|3.641690|3.702762|3.006063|3.731866|4.078437|2.309009|2.222072|1.918888|1.752694|1.795013|2.035019|3.603157|2.598387|2.158373|2.762636|0.058592|2.069285|2.451204|1.755083|4.259145|8.538585|6.905814|5.599713|4.580621|6.220859|6.512926|8.431080|8.644453|17.659566|6.714511|5.474514|36.854934|0.108896|0.097088|0.142711|0.067017|0.051182|0.044453|0.046064|0.056595|0.077575|0.073975|0.057752|0.056203|0.054171|0.054092|0.066923|0.072172|0.046676|0.046791|0.047714|0.107222|0.105397|0.145997|0.273792|0.122583|0.141166|0.107548|0.109494|0.213770|0.174416|0.130092|0.500000| |3.549787|3.049709|3.010177|2.497876|3.171364|3.491711|2.000356|1.922700|1.689340|1.562528|1.603991|1.799271|3.024597|2.147046|1.836345|2.392704|0.050489|1.812575|2.110529|1.546453|3.396773|6.184045|4.475790|3.729851|3.253885|4.035491|5.445490|7.841069|8.827197|17.621121|6.757215|7.027058|56.660230|0.100208|0.087703|0.119071|0.057233|0.045200|0.039973|0.041603|0.050419|0.063061|0.060506|0.049092|0.048380|0.048125|0.047781|0.058742|0.061735|0.041361|0.041652|0.041919|0.085164|0.089778|0.105961|0.154969|0.088637|0.098817|0.079713|0.081939|0.129334|0.117484|0.092948|0.304320|0.500000| |5.169665|4.077696|3.811696|3.029579|3.892041|4.472386|2.385835|2.282453|1.961917|1.792272|1.841982|2.099198|3.509130|2.441188|2.043290|2.623916|0.054728|2.010229|2.387331|1.675512|4.133206|7.719648|5.031960|4.321556|3.455653|5.035864|6.862114|9.783720|8.754004|17.554427|5.434826|6.915059|43.044578|0.142122|0.123094|0.193663|0.068808|0.052153|0.045345|0.047238|0.058587|0.070521|0.069668|0.053903|0.054223|0.052611|0.053373|0.066976|0.068666|0.045124|0.044751|0.045085|0.098255|0.106452|0.111711|0.160267|0.104244|0.099827|0.085576|0.085180|0.153692|0.163877|0.112244|0.302525|0.302503|0.500000| |3.104501|2.964311|3.284241|2.727904|3.241974|3.364194|2.029216|1.868304|1.649614|1.571780|1.664453|1.889547|3.464052|2.402655|2.064627|2.829477|0.061376|2.189916|2.600040|1.804232|4.301937|7.460065|5.100243|3.622911|3.227427|3.218344|6.968054|10.371573|8.756367|5.438219|17.547182|6.948925|43.014801|0.093113|0.074070|0.093065|0.053605|0.043237|0.040133|0.043843|0.054733|0.072744|0.063950|0.054535|0.053124|0.059843|0.055857|0.072894|0.080577|0.047239|0.049701|0.048297|0.112316|0.125558|0.145151|0.156257|0.091273|0.092715|0.075956|0.090264|0.091244|0.090871|0.075765|0.137908|0.139165|0.122245|0.500000| |2.889012|2.671996|2.832400|2.387974|2.923846|3.082042|1.855831|1.747549|1.551851|1.465182|1.527675|1.712858|3.010918|2.134897|1.848787|2.485977|0.053495|1.889608|2.196461|1.606916|3.456693|6.114516|4.526836|3.430537|3.147177|3.235296|5.476502|7.999770|8.809372|6.776551|17.616413|6.987357|55.972573|0.084525|0.070542|0.089598|0.050785|0.041162|0.037615|0.040127|0.048860|0.064155|0.058179|0.049473|0.047965|0.051224|0.048871|0.061047|0.066459|0.042368|0.043954|0.043480|0.090334|0.095840|0.120852|0.153785|0.083502|0.094952|0.074884|0.084985|0.096988|0.090198|0.076147|0.167093|0.200844|0.139091|0.302274|0.500000| |3.143584|3.043086|3.392046|2.824630|3.346899|3.461757|2.094743|1.961706|1.722984|1.618512|1.691153|1.914364|3.589280|2.581232|2.182675|2.918258|0.063681|2.194620|2.600185|1.850237|4.402637|8.391077|7.094921|4.694243|4.276286|4.052365|6.607124|8.687680|8.637291|6.689162|17.632231|5.470883|36.642167|0.089558|0.075014|0.098135|0.057161|0.045476|0.041275|0.044132|0.054514|0.079813|0.069857|0.058457|0.055635|0.058978|0.055864|0.070724|0.080528|0.048255|0.050300|0.050177|0.118879|0.116523|0.196455|0.264633|0.109802|0.129532|0.096039|0.116949|0.119602|0.108823|0.092326|0.196247|0.165390|0.137798|0.302089|0.303730|0.500000| |3.686794|3.223207|3.297645|2.688122|3.327731|3.613343|2.070461|1.896371|1.670505|1.593376|1.693329|1.930154|3.270047|2.187920|1.891984|2.574217|0.054284|2.045103|2.427119|1.656315|3.962271|6.459175|3.853043|3.020933|2.584303|2.922531|7.149178|13.997113|8.731358|5.508441|6.971603|17.736318|65.485788|0.120019|0.088321|0.108156|0.054345|0.043683|0.040625|0.044633|0.056212|0.063514|0.059082|0.049299|0.049961|0.055596|0.053582|0.070808|0.071846|0.044259|0.045520|0.043867|0.095332|0.121429|0.100418|0.112469|0.078756|0.072692|0.063534|0.069915|0.081892|0.088052|0.069883|0.122072|0.142754|0.141279|0.210033|0.174235|0.141167|0.500000| 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