Version2.0 2020-02-03T07:30:13Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 13-Oct-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c(c1)C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(o4)c5ccc(cc5)F C39607241 RHF 6-31G(d) (6D,7F) Cc1ccc(c(c1)C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(o4)c5ccc(cc5)F C01[X(C29H33F1N3O3)] 201 C1 606 Fc1ccc(cc1)c1ccc(o1)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1ccc(cc1C)C Fc1ccc(cc1)c1ccc(o1)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1ccc(cc1C)C Cc1ccc(CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4oc(cc4)c5ccc(F)cc5)c(C)c1 InChIKey=MBSQYSJGDIHIOK-XMMPIXPASA-O InChI=1S/C29H32FN3O3/c1-19-3-4-22(20(2)15-19)16-32-27(34)24-17-33(18-29(24)11-13-31-14-12-29)28(35)26-10-9-25(36-26)21-5-7-23(30)8-6-21/h3-10,15,24,31H,11-14,16-18H2,1-2H3,(H,32,34)/p+1/t24-/m1/s1 InChI=1/C29H32FN3O3/c1-19-3-4-22(20(2)15-19)16-32-27(34)24-17-33(18-29(24)11-13-31-14-12-29)28(35)26-10-9-25(36-26)21-5-7-23(30)8-6-21/h3-10,15,24,31H,11-14,16-18H2,1-2H3,(H,32,34)/p+1/t24-/m1/s1/fC29H33FN3O3/h31-32H/q+1 Cc1ccc(c(c1)C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(o4)c5ccc(cc5)F C01[X(C29H33F1N3O3)] 201 C01 606 Fc1ccc(cc1)c1ccc(o1)C(=O)N1C[C@@H](C2(C1)CC[NH2+]CC2)C(=O)NCc1ccc(cc1C)C Fc1ccc(cc1)c1ccc(o1)C(=O)N1C[C@@H](C2(C1)CC[NH2]CC2)C(=O)NCc1ccc(cc1C)C Cc1ccc(CNC(=O)[C@H]2CN(CC23CC[NH2]CC3)C(=O)c4oc(cc4)c5ccc(F)cc5)c(C)c1 InChIKey=UGDHMYWVJJLQLW-XMMPIXPASA-N InChI=1S/C29H33FN3O3/c1-19-3-4-22(20(2)15-19)16-32-27(34)24-17-33(18-29(24)11-13-31-14-12-29)28(35)26-10-9-25(36-26)21-5-7-23(30)8-6-21/h3-10,15,24H,11-14,16-18,31H2,1-2H3,(H,32,34)/t24-/m1/s1 InChI=1/C29H33FN3O3/c1-19-3-4-22(20(2)15-19)16-32-27(34)24-17-33(18-29(24)11-13-31-14-12-29)28(35)26-10-9-25(36-26)21-5-7-23(30)8-6-21/h3-10,15,24H,11-14,16-18,31H2,1-2H3,(H,32,34)/t24-/m1/s1/f/h32H 3755.3998915646 -1604.5977317 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0.8908 10.7146 0.1589 1.6398 1.0298 7.8130 9.0461 4.5223 2.2100 1.2012 8.4942 6.9182 7.7582 7.9841 3.4027 5.7623 2.0847 2.6841 2.6873 3.1502 22.5199 2.5849 1.0831 3.6673 2.7000 0.8400 0.2449 3.4265 9.8119 2.7516 9.2471 23.7599 7.0302 11.2777 6.3520 1.5458 5.4894 3.7737 2.7422 3.4598 2.7929 0.8262 3.0575 7.8512 10.1173 149.7277 42.2294 6.1877 6.5351 9.5237 5.0349 2.4327 3.2979 24.8034 9.3139 8.1985 6.5604 4.4929 1.8327 5.3564 30.3685 14.1639 12.5363 1.0763 10.0027 1.1704 5.3517 3.5161 3.4889 16.0993 25.2274 8.7892 44.3039 25.8736 11.5803 7.1844 15.5300 2.9226 2.0223 10.1393 9.6335 9.7255 1.6756 6.4324 8.9293 2.3239 3.8051 1.4344 4.5971 2.1778 1.7364 14.8180 15.0852 6.1855 5.9867 31.7013 1.0194 21.9120 16.0197 18.6708 10.4322 18.6428 7.3142 7.6873 6.7147 743.6444 50.1734 25.0515 9.0866 6.3821 8.8584 1037.4410 9.3981 52.9642 63.0843 75.1163 486.6341 6.3520 109.3019 7.9460 8.2720 87.2808 129.3024 195.7098 44.0336 56.3893 83.4466 99.9635 24.1475 73.9324 108.3858 102.3577 48.4939 68.6728 68.7047 36.9841 54.2459 50.5379 41.5753 10.8417 126.8184 28.4498 53.9362 126.7433 31.9341 50.7207 111.2691 139.7005 74.0826 99.5458 77.7656 59.5111 24.7460 0.7418 0.7499 0.7357 0.7067 0.7116 0.7482 0.7353 0.7053 0.7195 0.5398 0.7082 0.7480 0.7380 0.7492 0.7256 0.7466 0.3421 0.5560 0.3902 0.4101 0.6381 0.7480 0.3686 0.7271 0.3383 0.1309 0.2007 0.7470 0.1164 0.5413 0.6354 0.7349 0.7375 0.7140 0.7475 0.7318 0.5660 0.4217 0.4374 0.7496 0.5132 0.1282 0.5029 0.6543 0.4729 0.5110 0.7424 0.0989 0.1988 0.2775 0.7384 0.3268 0.7097 0.1922 0.6647 0.2293 0.1112 0.6774 0.2659 0.7473 0.0883 0.0752 0.1770 0.1357 0.2526 0.7500 0.7478 0.1201 0.1121 0.7223 0.6591 0.5817 0.1861 0.6700 0.4086 0.3654 0.3024 0.7491 0.2602 0.1601 0.0292 0.6634 0.6729 0.2711 0.6220 0.7337 0.6514 0.2937 0.7151 0.6749 0.2805 0.3166 0.3747 0.3131 0.3975 0.5804 0.6325 0.4141 0.0191 0.3253 0.2517 0.5169 0.7482 0.6220 0.7231 0.1083 0.6936 0.2874 0.2000 0.7351 0.4576 0.2316 0.5935 0.5798 0.2742 0.7360 0.5659 0.1799 0.5534 0.5516 0.7359 0.7427 0.7471 0.2892 0.7494 0.2175 0.6989 0.7368 0.6385 0.5818 0.7438 0.4897 0.4749 0.4988 0.6744 0.6615 0.3715 0.7435 0.4024 0.4737 0.3601 0.7485 0.5989 0.5046 0.4345 0.5506 0.7474 0.7229 0.7206 0.6903 0.6656 0.5939 0.5500 0.3148 0.1206 0.4433 0.6035 0.5944 0.5791 0.2974 0.5267 0.4635 0.5621 0.3051 0.4556 0.6898 0.2402 0.3175 0.4825 0.2562 0.0167 0.0432 0.2500 0.0674 0.7376 0.7479 0.2611 0.0657 0.1449 0.1850 0.6921 0.7498 0.2680 0.4588 0.2796 0.7115 0.5571 0.1257 0.4457 0.6619 0.4846 0.1869 0.7200 0.6696 0.3149 0.1427 0.6215 0.1860 0.1247 0.6387 0.1521 0.8518 0.8571 0.8477 0.8281 0.8315 0.8560 0.8475 0.8272 0.8369 0.7011 0.8292 0.8558 0.8492 0.8566 0.8410 0.8549 0.5098 0.7146 0.5614 0.5816 0.7791 0.8558 0.5386 0.8420 0.5056 0.2315 0.3343 0.8552 0.2085 0.7024 0.7770 0.8472 0.8489 0.8331 0.8555 0.8451 0.7228 0.5933 0.6086 0.8569 0.6783 0.2272 0.6692 0.7911 0.6422 0.6764 0.8522 0.1800 0.3316 0.4344 0.8495 0.4926 0.8302 0.3224 0.7986 0.3730 0.2002 0.8077 0.4201 0.8554 0.1622 0.1399 0.3008 0.2390 0.4033 0.8571 0.8557 0.2145 0.2016 0.8387 0.7945 0.7356 0.3139 0.8024 0.5802 0.5353 0.4643 0.8565 0.4129 0.2760 0.0567 0.7977 0.8044 0.4266 0.7670 0.8464 0.7889 0.4541 0.8339 0.8059 0.4381 0.4809 0.5451 0.4768 0.5689 0.7345 0.7749 0.5857 0.0375 0.4909 0.4021 0.6815 0.8559 0.7669 0.8393 0.1954 0.8191 0.4464 0.3333 0.8473 0.6279 0.3761 0.7449 0.7340 0.4304 0.8479 0.7228 0.3049 0.7125 0.7110 0.8479 0.8523 0.8552 0.4487 0.8567 0.3573 0.8228 0.8485 0.7793 0.7356 0.8531 0.6574 0.6439 0.6656 0.8056 0.7963 0.5417 0.8529 0.5739 0.6428 0.5296 0.8562 0.7491 0.6707 0.6058 0.7102 0.8554 0.8392 0.8376 0.8168 0.7992 0.7452 0.7097 0.4789 0.2153 0.6143 0.7528 0.7456 0.7335 0.4585 0.6899 0.6334 0.7197 0.4676 0.6260 0.8164 0.3874 0.4820 0.6510 0.4079 0.0329 0.0828 0.4000 0.1263 0.8490 0.8558 0.4140 0.1234 0.2531 0.3123 0.8180 0.8570 0.4227 0.6290 0.4370 0.8315 0.7155 0.2233 0.6166 0.7966 0.6528 0.3150 0.8372 0.8021 0.4790 0.2498 0.7666 0.3137 0.2217 0.7795 0.2641 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 6 6 6 6 6 6 6 6 6 7 6 8 6 1 6 7 6 6 6 6 7 1 1 6 6 6 8 6 6 6 6 8 6 6 6 6 6 6 9 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 12.00000 12.00000 12.00000 12.00000 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 19029.2847 27568.6838 43634.3286 0.99953 -0.03068 0.00079 0.03068 0.99952 -0.00328 -0.00069 0.00331 0.99999 1 0.00455 0.00314 0.00198 0.09484 0.06546 0.04136 7.11 21.11 27.79 39.93 42.63 46.19 47.77 53.28 81.61 95.19 102.37 137.66 163.53 176.87 192.72 203.07 209.32 238.19 256.15 274.77 303.38 320.68 341.27 371.93 395.60 422.56 428.32 439.40 443.78 464.39 488.85 520.26 555.40 564.94 591.53 619.09 633.02 664.65 667.80 675.37 692.19 698.61 720.20 723.23 764.07 783.97 793.45 829.25 844.48 855.94 913.54 940.05 952.46 977.71 998.98 1011.63 1088.61 1090.90 1128.16 1151.72 1154.15 1168.17 1205.50 1214.83 1224.80 1233.10 1261.25 1271.33 1296.51 1324.63 1342.10 1343.44 1345.31 1372.72 1376.80 1406.23 1432.64 1444.94 1448.99 1463.47 1473.56 1487.80 1511.52 1525.04 1548.28 1552.51 1557.94 1561.47 1578.70 1580.24 1585.52 1594.21 1600.06 1610.25 1610.41 1630.52 1638.82 1667.25 1672.69 1688.57 1691.24 1698.31 1720.35 1750.00 1774.33 1778.20 1791.47 1838.29 1847.97 1850.89 1870.89 1888.90 1899.24 1907.86 1921.66 1925.89 1949.95 1955.32 1963.89 1991.06 1996.55 1998.89 2007.13 2016.39 2062.74 2078.15 2081.96 2082.58 2085.47 2101.44 2157.39 2164.01 2178.99 2183.23 2212.97 2219.07 2234.67 2245.64 2249.98 2254.17 2258.82 2260.82 2267.45 2273.27 2277.13 2346.99 2347.41 2351.96 2355.74 2362.26 2363.21 2367.85 2380.91 2389.87 2397.03 2403.63 2406.18 2421.95 2444.77 2480.94 2552.52 2562.69 2594.89 2621.42 2621.54 2629.14 2706.52 2763.37 4598.25 4609.83 4611.21 4616.35 4661.92 4677.70 4682.50 4695.53 4708.29 4714.76 4721.05 4730.78 4731.68 4731.97 4762.34 4763.84 4786.15 4804.98 4805.72 4819.62 4821.22 4825.52 4849.67 4856.15 4870.96 4884.70 4904.73 4907.15 4968.38 4990.05 5279.76 5371.37 5585.58 0.626208 0.657089 0.658033 0.557340 -1603.971523 -1603.940642 -1603.939698 -1604.040392 3.377293D-04 MUNgauss RevisionA2.0 retrievium 03-Feb-2020 DUDE Cc1ccc(c(c1)C)CNC(=O)[C@H]2CN(CC23CC[NH2+]CC3)C(=O)c4ccc(o4)c5ccc(cc5)F C39607241 RHF 6-31G(d) (6D,10F) C1 490.250595 |X|Y|Z| 118.755220 97.794149 31.867589 71.796774 31 6 7 8 27 3 1 |36.858105| |12.611643|36.858105| |7.539007|13.765693|36.858105| |5.014932|7.929215|13.737142|36.858105| |4.411867|6.785065|7.877197|13.753250|36.858105| |4.999198|7.821927|6.830966|7.934219|13.587790|36.858105| |7.559522|13.671064|7.998595|6.955799|7.943585|13.755197|36.858105| |3.794014|5.001348|4.428622|5.008854|7.484529|12.587926|7.600045|36.858105| |3.268098|4.411122|5.026219|7.622266|12.601777|7.479422|5.010851|6.365918|36.858105| |2.938942|3.799649|4.204046|5.734443|7.793017|5.883342|4.277636|5.528925|13.006211|53.358707| |2.437153|3.001690|3.258627|4.150981|5.129051|4.283324|3.329030|4.379789|7.758575|19.357706|36.858105| |2.235884|2.714155|2.932498|3.683917|4.485015|3.812139|3.001463|4.007622|6.833614|11.583697|15.789341|73.516695| |2.212742|2.639048|2.824490|3.402791|3.927827|3.476728|2.871249|3.557203|4.991890|10.668769|12.483404|14.201335|36.858105| |2.366017|2.824280|2.992931|3.547181|4.068280|3.680132|3.077152|3.710967|4.814402|10.402568|8.886880|10.476939|17.569007|0.500000| |2.022991|2.369900|2.597194|3.095487|3.347422|2.900240|2.482960|2.854372|4.127118|7.667958|7.558631|10.982624|12.155684|0.241806|36.858105| |1.764202|2.026196|2.179391|2.530583|2.736470|2.451892|2.131185|2.481047|3.303525|5.679756|5.527584|9.275709|7.916393|0.167272|13.032720|53.358707| |1.745583|2.008753|2.122956|2.463442|2.748180|2.516376|2.158655|2.642940|3.370234|5.752182|5.909194|10.682795|7.978480|0.161017|8.083676|17.933859|36.858105| |1.936551|2.252593|2.346855|2.729291|3.138557|2.929382|2.472834|3.149269|3.833182|7.031427|7.365866|11.510548|12.218671|0.242413|7.707577|11.052294|12.377688|36.858105| |1.939980|2.256255|2.297928|2.653564|3.148003|3.052893|2.544302|3.490703|3.836507|6.596192|6.479223|11.334703|7.266928|0.169066|4.965401|6.937923|7.427325|12.389181|36.858105| |1.700395|1.931839|1.948533|2.192801|2.530272|2.500572|2.155384|2.848170|2.952319|4.753158|4.294904|7.807356|4.808992|0.119512|3.842842|5.806987|6.087730|7.504247|12.494356|36.858105| |1.638306|1.837272|1.842426|2.038092|2.308492|2.303669|2.031801|2.578376|2.601077|4.213458|3.637235|6.250447|4.338096|0.115486|3.584471|5.428001|5.160568|6.456957|7.643286|12.631390|53.358707| |1.514156|1.680841|1.681352|1.843022|2.065980|2.069342|1.847812|2.306305|2.302404|3.633488|3.079363|5.395515|3.557993|0.094911|3.080662|4.718212|4.346338|4.926920|5.658810|9.166676|25.689153|0.500000| |1.713247|1.918428|1.901137|2.087409|2.379192|2.419737|2.141859|2.745281|2.633040|4.262768|3.559229|5.973737|4.173363|0.116302|3.356684|4.832386|4.362912|5.733018|6.973877|9.209088|25.685071|0.328510|0.500000| |1.633258|1.830751|1.860991|2.062705|2.294592|2.242549|1.990552|2.425937|2.584435|4.290171|3.737784|6.216736|4.884478|0.131342|4.241770|6.729611|6.086298|7.438471|6.457700|7.549437|17.177764|0.254459|0.255588|36.858105| |1.843042|2.101411|2.159703|2.434882|2.730468|2.620245|2.287535|2.794738|3.125654|5.517901|4.952118|7.654503|7.576886|0.209195|5.939229|8.719489|7.481870|12.324607|7.644709|6.529573|10.485764|0.157914|0.194840|12.524820|36.858105| |1.609353|1.815807|1.941008|2.200204|2.330318|2.123286|1.889606|2.138974|2.700846|4.468672|4.003657|6.748831|5.356582|0.129699|7.591653|18.959439|7.864997|5.737917|4.019584|3.676550|5.008647|0.091961|0.090840|4.791404|5.628514|36.858105| |1.496252|1.672305|1.763648|1.973313|2.100421|1.952074|1.749863|1.996189|2.401361|3.899500|3.439789|5.911113|4.450688|0.110986|5.383247|11.503376|7.015127|5.268682|3.914907|3.852187|5.467064|0.102949|0.096414|5.453878|5.626461|15.763347|73.516695| |1.584201|1.773810|1.916454|2.153114|2.218385|2.005051|1.812007|1.974236|2.514814|4.068687|3.452531|5.756097|4.352212|0.111683|6.312865|10.650343|5.062710|4.195707|3.158653|2.886354|3.965272|0.074177|0.074397|3.628045|4.209105|12.981430|14.611310|36.858105| |1.464102|1.616003|1.734142|1.912189|1.949113|1.785487|1.639746|1.755904|2.156089|3.407693|2.797267|4.690450|3.402814|0.090776|4.430660|6.974896|3.844154|3.349659|2.654456|2.502415|3.522790|0.067312|0.066741|3.194843|3.520472|7.497106|11.595670|14.153153|36.858105| |1.464967|1.609252|1.744008|1.912391|1.911040|1.736995|1.609880|1.681146|2.088395|3.240344|2.588730|4.339347|3.028167|0.081819|3.916137|5.634281|3.189920|2.856719|2.326874|2.168362|3.010679|0.057660|0.057960|2.633518|2.926242|5.201942|7.942453|8.592820|13.369101|36.858105| |1.586330|1.760870|1.937823|2.154775|2.136154|1.904691|1.752448|1.821510|2.360104|3.669763|2.930354|4.890657|3.383075|0.090197|4.622219|6.261670|3.416166|3.045926|2.458268|2.230915|3.028282|0.057344|0.058473|2.611567|2.993352|5.329772|7.548855|8.745737|8.573446|14.070923|36.858105| |1.675651|1.886996|2.077135|2.355890|2.382289|2.106346|1.902893|2.031136|2.708491|4.338133|3.605685|5.983088|4.327683|0.111035|6.651424|9.182983|4.471917|3.830284|2.955038|2.625248|3.515163|0.065578|0.067110|3.076711|3.644149|7.751828|9.587252|14.055915|8.616797|8.632455|14.208157|73.516695| |1.626026|1.799881|2.010149|2.227262|2.154559|1.899762|1.762516|1.785346|2.350646|3.554003|2.751251|4.615132|3.019874|0.081201|3.951666|5.044314|2.903623|2.654142|2.209921|1.992149|2.671648|0.050723|0.052166|2.238364|2.558167|3.934542|5.789983|5.362632|5.180265|7.369380|12.986855|14.122441|36.858105| |1.711407|1.913454|2.171547|2.445898|2.344724|2.026846|1.865798|1.887037|2.593337|3.846112|2.965056|5.046174|3.118101|0.082212|4.079203|5.039313|2.947441|2.680969|2.259359|2.008721|2.636584|0.049896|0.051509|2.167013|2.490407|3.676212|5.383533|4.589713|4.113872|5.048778|7.665067|11.995448|13.679809|36.858105| |1.714023|1.899992|2.176192|2.418991|2.263945|1.955219|1.823717|1.798213|2.449430|3.509354|2.625908|4.502650|2.669121|0.071330|3.283238|4.042076|2.480715|2.307497|2.002287|1.789082|2.343810|0.044599|0.046172|1.891999|2.148744|2.911030|4.418061|3.445933|3.200072|3.832577|5.071188|8.069951|7.897395|13.780787|36.858105| |1.630367|1.777519|2.017371|2.186961|2.033429|1.786244|1.693305|1.642685|2.147046|3.067264|2.267502|3.862821|2.328852|0.063449|2.783731|3.476364|2.166574|2.045631|1.791606|1.620490|2.150548|0.041163|0.042592|1.735828|1.949766|2.563806|3.980559|3.046568|2.964662|3.639191|4.510230|6.791018|6.909881|8.019164|13.817911|36.858105| |1.555438|1.684243|1.884929|2.024548|1.903023|1.695206|1.613366|1.571895|1.999532|2.905795|2.161224|3.648970|2.278988|0.062766|2.729992|3.462115|2.140850|2.026595|1.761512|1.607183|2.163098|0.041506|0.042843|1.765937|1.974721|2.633384|4.117679|3.223155|3.276154|4.240632|5.074992|7.063252|7.894847|6.862465|7.893670|13.808401|36.858105| |1.554599|1.695017|1.883706|2.042497|1.952349|1.742868|1.643653|1.631606|2.078016|3.092147|2.341620|3.925530|2.542532|0.069868|3.142717|4.033157|2.421892|2.267669|1.930559|1.761930|2.388048|0.045694|0.047027|1.984124|2.231379|3.161403|4.867037|4.101009|4.277595|6.103310|7.677197|9.279628|13.673674|7.938266|6.867170|8.023310|13.792348|36.858105| |1.601324|1.727720|1.962536|2.096697|1.926896|1.700947|1.629925|1.556687|2.004004|2.802636|2.044315|3.506074|2.062405|0.056427|2.389672|2.992964|1.913049|1.824530|1.627257|1.478420|1.958213|0.037631|0.038964|1.561255|1.738614|2.187142|3.454385|2.518472|2.458802|2.913367|3.433908|5.391905|4.668195|5.319639|8.181687|14.389452|8.179462|5.321426|97.533100| |17.557238|8.839675|5.775593|4.259515|3.954786|4.630985|6.864922|3.703952|3.021284|3.828096|2.356037|3.817156|2.179114|0.065477|1.978038|2.359846|1.720084|1.924829|1.932345|1.703596|2.257553|0.042609|0.048540|1.651837|1.858538|1.590662|2.643503|1.562324|1.450278|1.445024|1.552674|2.912599|1.578917|1.643791|1.634564|1.562646|1.505830|1.514020|3.438093|0.500000| |17.544453|8.855636|5.996809|4.353698|3.967811|4.547054|6.577727|3.613957|3.028326|3.649336|2.261689|3.754863|2.041500|0.059857|1.869882|2.246234|1.645573|1.812307|1.836318|1.623483|2.118528|0.040169|0.045137|1.539101|1.718005|1.507351|2.504134|1.478882|1.369383|1.368179|1.477005|2.771787|1.513179|1.596240|1.603118|1.524688|1.451362|1.447275|3.385305|0.302279|0.500000| |17.586977|8.838694|7.210885|4.734951|3.943794|4.153938|5.578389|3.222278|3.019422|3.738305|2.302425|3.760012|2.112800|0.062634|1.969613|2.337023|1.679779|1.843361|1.822336|1.604065|2.112105|0.039939|0.044827|1.561507|1.761252|1.576900|2.599189|1.569288|1.457408|1.471395|1.596724|2.971145|1.653063|1.741215|1.762033|1.689053|1.608011|1.593260|3.761253|0.301639|0.301952|0.500000| |6.957968|8.914996|17.713937|8.927684|5.628274|4.930031|5.662397|3.542918|4.111841|4.859468|2.879964|4.659151|2.557481|0.074933|2.421367|2.787216|1.970825|2.143174|2.075493|1.783552|2.311656|0.043316|0.048445|1.728934|1.991826|1.847093|2.983253|1.850024|1.688844|1.718694|1.912195|3.591224|2.012761|2.178507|2.222590|2.083607|1.936858|1.909252|4.619941|0.147734|0.156241|0.219618|0.500000| |4.092434|5.651106|8.945001|17.693207|8.939273|5.640560|4.992986|4.076967|7.113008|7.559671|4.188959|6.689812|3.443588|0.097663|3.273227|3.602015|2.523644|2.726487|2.591522|2.146795|2.710862|0.050133|0.056011|2.040516|2.413177|2.296846|3.618851|2.278444|2.013302|2.036591|2.332490|4.527232|2.454665|2.757130|2.758647|2.456702|2.233563|2.235521|5.298007|0.098410|0.101060|0.112778|0.216693|0.500000| |7.060494|8.937434|5.678592|4.992736|5.650083|8.964974|17.690778|7.111100|4.080866|4.951793|2.958146|4.802426|2.612926|0.077844|2.256520|2.685939|2.017693|2.315585|2.419674|2.087140|2.699046|0.050399|0.058568|1.921955|2.174854|1.766501|2.940438|1.687861|1.539064|1.504837|1.621207|3.116531|1.620716|1.700253|1.659520|1.552073|1.489405|1.519787|3.367626|0.200311|0.184204|0.141475|0.124432|0.108166|0.500000| |3.377267|4.312405|3.966444|4.552247|6.563176|8.820332|5.971625|17.540215|6.243617|6.884888|4.230413|7.318164|3.347738|0.093416|2.732678|3.288800|2.607341|3.030356|3.432809|2.832755|3.406922|0.062719|0.073028|2.327364|2.635254|2.076469|3.456226|1.908850|1.695847|1.623328|1.760354|3.493337|1.728893|1.841183|1.759756|1.600297|1.522689|1.575927|3.422808|0.089799|0.092238|0.081084|0.090361|0.106820|0.156774|0.500000| |3.854570|4.780520|3.988160|4.186024|5.549106|8.858839|7.349377|17.592887|4.695079|5.861795|3.589841|5.893640|3.083347|0.090453|2.520186|3.037191|2.374521|2.814710|3.130199|2.648443|3.333333|0.061497|0.073368|2.286594|2.581458|1.959684|3.289032|1.816452|1.635209|1.566105|1.679778|3.295974|1.644631|1.721966|1.647205|1.520870|1.464729|1.517731|3.257251|0.108262|0.103624|0.089225|0.090717|0.096037|0.229227|0.302458|0.500000| |3.314785|4.245824|3.945203|4.581298|6.703426|8.798778|5.832838|17.548819|6.587969|8.990022|5.277275|8.245043|4.275227|0.125361|3.247201|3.815836|3.035929|3.777808|4.283669|3.352696|4.099256|0.073372|0.089993|2.813088|3.309339|2.383902|3.952345|2.164580|1.907452|1.804886|1.952447|3.920392|1.887661|1.982338|1.861765|1.693641|1.630486|1.711137|3.575255|0.091454|0.086269|0.080462|0.089906|0.107852|0.151606|0.302396|0.301870|0.500000| |3.038668|3.981245|4.782278|7.304563|8.894571|5.599916|4.212742|4.757317|17.589090|12.410746|6.808096|11.625814|4.581509|0.119001|4.130712|4.501604|3.285557|3.539510|3.438798|2.715592|3.263454|0.059569|0.066430|2.414870|2.888517|2.708592|4.234512|2.564767|2.191856|2.150860|2.469393|5.028280|2.505467|2.840559|2.710849|2.333799|2.133435|2.197846|4.908873|0.077011|0.078832|0.080063|0.113982|0.224032|0.096740|0.134278|0.104479|0.133350|0.500000| |3.008243|3.928784|4.211845|5.716760|8.812076|6.910261|4.643792|7.032845|17.642158|12.524328|7.132483|12.851450|4.602786|0.119879|3.743978|4.285133|3.350685|3.800442|4.055637|3.125431|3.644955|0.066056|0.075252|2.585628|3.053267|2.577671|4.145389|2.358893|2.031901|1.949281|2.174529|4.432868|2.145437|2.351218|2.219810|1.955991|1.829420|1.903028|4.126022|0.077917|0.079501|0.076354|0.097476|0.146712|0.109900|0.218393|0.139945|0.200451|0.304466|0.500000| |3.135773|4.067461|4.509176|5.981275|7.533332|5.906005|4.495667|5.244140|9.016922|26.068627|9.399131|10.867854|7.462544|0.240417|5.526301|5.456420|3.907885|4.854430|4.379664|3.257575|4.100015|0.072195|0.085843|3.135093|4.102739|3.252367|5.038534|3.024413|2.558303|2.447646|2.765289|5.742382|2.680742|2.853113|2.604699|2.305910|2.206586|2.354259|4.729090|0.084354|0.077655|0.081756|0.106245|0.157686|0.105491|0.126028|0.117965|0.172640|0.194433|0.183399|0.500000| |2.037519|2.364616|2.599695|3.040486|3.189844|2.783272|2.437826|2.685309|3.728255|6.759000|5.818714|8.402412|8.657402|0.227320|17.673999|12.318673|5.919560|6.006867|4.131951|3.346048|4.458237|0.079150|0.086811|3.960421|5.494940|7.221905|9.145392|7.031278|4.979220|4.481190|5.372683|13.709089|4.481203|4.407777|3.487623|3.002931|3.010821|3.549262|5.713505|0.055631|0.051883|0.055585|0.068121|0.089528|0.061597|0.070343|0.066766|0.083944|0.103433|0.092279|0.146035|0.500000| |2.063064|2.434629|2.726300|3.319930|3.535165|2.960299|2.521498|2.853888|4.497068|7.957561|7.647350|11.938444|8.666652|0.182882|17.626766|12.341250|6.495631|5.865695|4.319781|3.396062|4.203938|0.075266|0.080857|3.486928|4.519074|6.007820|7.921393|5.513835|4.006534|3.741279|4.625552|11.613994|4.199243|4.658732|3.730079|3.042336|2.890480|3.268608|5.857595|0.055314|0.053124|0.056062|0.070934|0.100617|0.062925|0.077003|0.069248|0.088280|0.132409|0.111452|0.152176|0.303093|0.500000| |1.598096|1.814017|1.899777|2.165458|2.391254|2.229417|1.943947|2.355906|2.848302|4.674379|4.467946|8.185944|5.645866|0.127035|5.796589|12.502332|17.708469|8.546660|6.345912|6.298603|7.590327|0.135724|0.124164|6.764770|6.865439|7.650631|14.810018|4.832676|3.838957|3.105327|3.202116|7.202426|2.694154|2.684669|2.276308|2.016769|2.013239|2.281039|4.024052|0.043932|0.042056|0.042790|0.049321|0.061359|0.051032|0.064814|0.059800|0.074323|0.077261|0.079481|0.089764|0.131787|0.135711|0.500000| |1.758837|2.035742|2.162693|2.538888|2.854668|2.583844|2.192552|2.722573|3.610041|5.957943|6.319022|13.171252|7.016780|0.140784|6.993209|12.507130|17.598891|8.854325|7.024653|5.647146|6.035665|0.106802|0.106712|4.728506|5.489134|5.958608|9.444983|4.323810|3.364545|2.905680|3.172707|7.246890|2.789401|2.922687|2.493004|2.152070|2.089871|2.326527|4.308243|0.047753|0.046334|0.046933|0.055628|0.072669|0.056675|0.076196|0.067185|0.086048|0.099447|0.101961|0.107629|0.141258|0.181256|0.301117|0.500000| |1.958117|2.294795|2.353267|2.756303|3.312182|3.165202|2.594469|3.645567|4.206579|6.928647|7.058863|14.465492|6.563705|0.146648|4.739360|6.525568|6.884424|8.779581|17.640294|8.991746|7.604014|0.126943|0.143076|4.849844|5.526667|3.714950|6.314526|2.982295|2.501063|2.228484|2.385802|5.090080|2.178876|2.270714|2.027089|1.798164|1.746715|1.897152|3.691634|0.053604|0.051848|0.051017|0.058853|0.075130|0.068053|0.103330|0.088935|0.122303|0.105507|0.129036|0.120765|0.107188|0.121936|0.160235|0.214140|0.500000| |2.098943|2.454821|2.456020|2.818305|3.418092|3.429016|2.830544|4.072811|4.051447|7.019490|6.265393|10.143227|6.689565|0.175464|4.428425|5.780347|5.445289|8.775292|17.498316|8.885358|9.352375|0.143561|0.203689|5.679917|6.876131|3.474491|5.981870|2.851414|2.442170|2.175159|2.296269|4.815311|2.092023|2.135381|1.915646|1.728740|1.700891|1.850568|3.555841|0.058545|0.054998|0.054196|0.060886|0.074754|0.075376|0.108264|0.101878|0.145932|0.097037|0.119264|0.132477|0.107130|0.108234|0.132289|0.143535|0.303863|0.500000| |1.589049|1.796877|1.829727|2.060104|2.341324|2.278482|1.978138|2.541602|2.747275|4.347942|3.970738|7.499574|4.424350|0.106973|3.801752|6.106486|6.697328|6.736334|8.750567|17.634517|12.429060|0.225388|0.181337|6.878895|5.730790|3.916708|7.498105|3.012161|2.604246|2.235054|2.289930|4.811347|2.030255|2.048004|1.814508|1.637638|1.623756|1.785847|3.353040|0.043993|0.042267|0.041921|0.046915|0.056738|0.052986|0.071017|0.065513|0.081179|0.071905|0.080496|0.082345|0.091045|0.094511|0.214854|0.176414|0.213604|0.173025|0.500000| |1.678601|1.897806|1.891763|2.111027|2.448935|2.469326|2.136633|2.878935|2.816393|4.375966|3.794873|7.011372|3.985011|0.101813|3.230209|4.723978|4.619012|5.463319|8.764686|17.625059|12.369116|0.222542|0.225633|5.563035|4.910505|3.046773|5.637301|2.483469|2.191416|1.932031|1.987313|4.084504|1.801797|1.825716|1.648047|1.500626|1.483444|1.610083|3.107560|0.046796|0.044846|0.043749|0.047988|0.056896|0.058127|0.080628|0.075384|0.093347|0.071547|0.084510|0.083064|0.079480|0.081650|0.131196|0.125808|0.212468|0.215287|0.301477|0.500000| |1.532071|1.712040|1.754222|1.947505|2.145020|2.072240|1.844463|2.219350|2.434529|3.972722|3.502956|6.019320|4.477408|0.115344|4.194106|7.233839|6.667075|6.661855|5.648028|6.823021|12.339251|0.224030|0.180676|17.656911|8.771337|5.422350|12.098449|3.922972|3.450256|2.776173|2.722615|5.736661|2.301522|2.221411|1.925096|1.760561|1.793379|2.026439|3.549801|0.042793|0.040259|0.040899|0.045575|0.054089|0.049308|0.059909|0.057908|0.070378|0.064341|0.067789|0.079633|0.107397|0.097023|0.239493|0.141069|0.126562|0.131196|0.203338|0.141277|0.500000| |1.578096|1.749283|1.766962|1.930729|2.123449|2.096340|1.891713|2.252343|2.335174|3.818180|3.197416|5.274899|4.067608|0.114757|3.640261|5.570803|4.618579|5.434857|4.880937|5.565130|12.366015|0.221677|0.226289|17.626112|8.773583|4.176429|8.511219|3.350294|3.071830|2.545525|2.476441|5.050241|2.127401|2.033204|1.787461|1.660838|1.705428|1.915475|3.371555|0.044640|0.041272|0.042010|0.045837|0.052886|0.051110|0.059582|0.059830|0.071768|0.060681|0.064467|0.079007|0.098544|0.084498|0.139968|0.104319|0.107397|0.128493|0.141932|0.126518|0.301525|0.500000| |1.974575|2.254005|2.285297|2.553998|2.888840|2.832780|2.480139|3.046249|3.220612|5.733863|4.829191|7.199609|6.967096|0.225479|5.119784|6.751698|5.479525|8.801615|6.921520|5.751369|9.438903|0.144317|0.205664|8.901497|17.502827|4.418210|7.701925|3.594135|3.101000|2.665584|2.736087|5.754457|2.394643|2.336797|2.048967|1.876265|1.899585|2.123324|3.794824|0.055850|0.050829|0.052082|0.058107|0.069121|0.065892|0.077955|0.078904|0.101955|0.080752|0.086871|0.122627|0.137776|0.112576|0.138530|0.123360|0.140957|0.204747|0.132885|0.129447|0.173329|0.215838|0.500000| |1.797333|2.036552|2.116393|2.374952|2.597545|2.457089|2.175769|2.546163|2.938646|5.144184|4.501192|6.925812|6.967037|0.198388|6.517838|9.782476|6.916178|8.707419|5.517269|4.880656|7.646729|0.127385|0.143864|9.044670|17.619235|7.006176|12.130773|5.192307|4.287202|3.443033|3.473397|7.615078|2.873312|2.728625|2.313441|2.104992|2.160673|2.488426|4.172871|0.050287|0.046349|0.048185|0.054836|0.066245|0.057167|0.066572|0.065476|0.081966|0.076989|0.078103|0.108738|0.182206|0.132348|0.178763|0.139843|0.122847|0.140280|0.127815|0.107811|0.214872|0.213671|0.304259|0.500000| |1.384316|1.518241|1.612461|1.763605|1.807941|1.678045|1.547692|1.666237|1.986263|3.122074|2.556918|4.314074|3.101069|0.083430|3.812413|6.125302|3.605753|3.176646|2.564284|2.484478|3.574715|0.069266|0.067434|3.276822|3.455315|6.547343|11.917709|8.845016|17.813765|8.478078|5.839163|10.450683|4.055705|3.348745|2.720829|2.565587|2.828970|3.554896|4.903164|0.038272|0.036076|0.038182|0.043553|0.051076|0.040657|0.044730|0.043421|0.050310|0.055579|0.052512|0.065036|0.115794|0.094898|0.103975|0.087023|0.066493|0.065606|0.072142|0.060540|0.099821|0.089420|0.084424|0.116498|0.500000| |1.384415|1.506082|1.626021|1.762010|1.749064|1.601543|1.499099|1.547921|1.885942|2.882918|2.268386|3.821040|2.601692|0.071105|3.221890|4.580082|2.715238|2.474598|2.066117|1.947430|2.718562|0.052565|0.052680|2.345601|2.555856|4.080910|6.573484|5.855705|8.511578|17.816420|8.778458|10.456435|6.353501|4.416205|3.566335|3.562179|4.337929|6.206946|6.504545|0.037998|0.035990|0.038775|0.044798|0.051971|0.039094|0.041540|0.040320|0.045853|0.053895|0.049065|0.060620|0.100832|0.086374|0.074222|0.069516|0.055087|0.054136|0.055627|0.048724|0.068367|0.063860|0.065672|0.082137|0.194053|0.500000| |1.752228|1.982564|2.252295|2.588277|2.521515|2.157110|1.954489|2.020912|2.872342|4.292081|3.397788|5.863098|3.538748|0.090446|4.820061|5.916323|3.394111|3.009030|2.509934|2.205073|2.849280|0.053624|0.055275|2.337537|2.710183|4.139844|5.905066|4.995089|4.175299|4.749985|7.068203|13.469798|8.904430|17.748431|8.958675|5.688954|4.949025|5.645381|9.632244|0.046634|0.045497|0.049113|0.061958|0.081329|0.049303|0.055098|0.050763|0.059312|0.088476|0.072443|0.086672|0.138312|0.162678|0.084322|0.095099|0.070815|0.065071|0.062813|0.055332|0.066897|0.060012|0.069754|0.081870|0.094286|0.111601|0.500000| 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