Version2.1 2021-01-19T02:07:47Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 07-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE C[C@@]1(CN(C(=O)N1CC2(CCN(CC2)OC)C3CCCCC3)O)S(=O)(=O)c4ccccc4 C39488299 RHF 6-31G(d) (6D,7F) C[C@@]1(CN(C(=O)N1CC2(CCN(CC2)OC)C3CCCCC3)O)S(=O)(=O)c4ccccc4 C01[X(C23H35N3O5S1)] 195 C1 554 CON1CCC(CC1)(CN1C(=O)N(C[C@]1(C)S(=O)(=O)c1ccccc1)O)C1CCCCC1 CON1CCC(CC1)(CN1C(=O)N(C[C@]1(C)S(=O)(=O)c1ccccc1)O)C1CCCCC1 CON1CCC(CC1)(CN2C(=O)N(O)C[C@]2(C)[S](=O)(=O)c3ccccc3)C4CCCCC4 InChIKey=JSYSEFOHSOSLAV-QFIPXVFZSA-N InChI=1S/C23H35N3O5S/c1-22(32(29,30)20-11-7-4-8-12-20)17-26(28)21(27)25(22)18-23(19-9-5-3-6-10-19)13-15-24(31-2)16-14-23/h4,7-8,11-12,19,28H,3,5-6,9-10,13-18H2,1-2H3/t22-/m0/s1 InChI=1/C23H35N3O5S/c1-22(32(29,30)20-11-7-4-8-12-20)17-26(28)21(27)25(22)18-23(19-9-5-3-6-10-19)13-15-24(31-2)16-14-23/h4,7-8,11-12,19,28H,3,5-6,9-10,13-18H2,1-2H3/t22-/m0/s1 C[C@@]1(CN(C(=O)N1CC2(CCN(CC2)OC)C3CCCCC3)O)S(=O)(=O)c4ccccc4 C01[X(C23H35N3O5S1)] 195 C01 554 CON1CCC(CC1)(CN1C(=O)N(C[C@]1(C)S(=O)(=O)c1ccccc1)O)C1CCCCC1 CON1CCC(CC1)(CN1C(=O)N(C[C@]1(C)[S]([O])([O])[C]1[CH][CH][CH][CH][CH]1)O)C1CCCCC1 CON1CCC(CC1)(CN2C(=O)N(O)C[C@]2(C)[S]([O])([O])[C]3[CH][CH][CH][CH][CH]3)C4CCCCC4 InChIKey=JSYSEFOHSOSLAV-QFIPXVFZSA-N InChI=1S/C23H35N3O5S/c1-22(32(29,30)20-11-7-4-8-12-20)17-26(28)21(27)25(22)18-23(19-9-5-3-6-10-19)13-15-24(31-2)16-14-23/h4,7-8,11-12,19,28H,3,5-6,9-10,13-18H2,1-2H3/t22-/m0/s1 InChI=1/C23H35N3O5S/c1-22(32(29,30)20-11-7-4-8-12-20)17-26(28)21(27)25(22)18-23(19-9-5-3-6-10-19)13-15-24(31-2)16-14-23/h4,7-8,11-12,19,28H,3,5-6,9-10,13-18H2,1-2H3/t22-/m0/s1 3945.0218893311 -1826.3106958 1-A 14760.4039 125 429 554 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.18782 -20.62025 -20.57393 -20.55673 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 12.4631 29.4045 40.0775 49.0277 57.0885 66.0984 68.4052 86.0494 90.4252 94.4319 118.4564 132.3572 154.8378 160.4978 191.4376 202.1066 207.3940 226.8201 230.7545 240.6989 249.5893 265.4901 267.4500 289.2115 306.5591 311.3249 315.5818 333.7386 343.7046 346.9425 361.7406 364.1335 378.3633 387.9218 399.0739 402.7036 424.2371 445.2469 455.2363 455.9596 462.7436 467.3534 479.6057 508.7213 528.6668 551.7799 555.9826 576.2772 596.0336 617.8240 654.8617 672.6576 673.7620 699.0151 726.9320 748.8802 768.2027 782.2137 800.7364 838.6408 850.8142 860.9299 861.6336 867.7764 893.5553 898.6422 908.3177 937.5108 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3215.7533 3220.6522 3224.3541 3230.4353 3233.7071 3239.1932 3250.4329 3266.8155 3268.2532 3270.4188 3274.4615 3281.5076 3283.8781 3293.2235 3293.6998 3300.7929 3307.1497 3344.3123 3350.9871 3354.9952 3363.3297 3370.1510 3383.8966 3394.3335 3412.1939 3413.5847 4103.1603 5.1462 6.6394 5.0417 3.5178 4.4245 3.7182 2.4535 3.5121 4.4946 5.2382 4.9314 4.6310 2.6654 4.7555 3.3884 2.9630 5.8573 2.3002 1.6566 2.7985 2.7073 2.8589 1.9923 2.8231 2.7337 2.1946 2.9669 2.6777 3.9336 3.5967 3.4177 2.4033 2.3755 2.3616 2.2152 3.6231 3.5522 3.8240 2.9298 2.5780 3.8031 3.3103 2.9332 4.5869 2.4019 1.9116 3.2567 4.5371 7.2809 3.2063 5.3435 6.0525 5.9491 4.4071 3.1180 3.6790 2.4259 2.9005 5.0598 3.4935 2.4122 2.5089 2.0001 1.4647 8.5215 1.5385 2.5315 1.7683 1.2441 2.1342 2.1125 1.8783 1.9438 2.0557 2.1046 2.3318 2.8834 1.3901 3.6257 2.9462 1.9359 1.3690 2.0061 2.3755 1.9941 2.0874 1.7077 1.3423 1.5437 2.9509 1.8451 1.9277 2.9671 1.4421 2.9346 2.1484 2.7339 3.6000 3.5683 2.7328 2.1518 2.3606 1.4688 1.9672 1.1782 1.8175 2.2519 1.2138 3.4368 1.6890 1.6300 1.7508 1.3714 3.6387 1.4217 1.2693 1.4678 3.4051 1.2854 2.6928 1.4672 1.3610 1.3462 2.2578 1.3215 1.3988 1.4143 1.4152 1.4201 1.4786 1.4706 1.4941 1.4785 1.4365 1.6673 1.3242 1.3442 1.4932 1.4162 2.0917 1.1532 1.0884 1.0800 1.0892 1.0933 1.0574 1.0994 1.0933 1.0559 1.1808 1.6496 1.1115 1.1010 1.0593 1.0893 1.1061 1.1066 5.2050 4.9966 11.9767 1.0729 1.0673 1.0750 1.0644 1.0641 1.0718 1.0685 1.0388 1.0721 1.0902 1.1023 1.0641 1.0428 1.0983 1.0845 1.0901 1.0885 1.1037 1.0992 1.0896 1.0743 1.0938 1.0866 1.0869 1.1026 1.0985 1.0984 1.0933 1.0979 1.0882 1.0919 1.0960 1.0948 1.0956 1.0681 0.0005 0.0034 0.0048 0.0050 0.0085 0.0096 0.0068 0.0153 0.0217 0.0275 0.0408 0.0478 0.0376 0.0722 0.0732 0.0713 0.1484 0.0697 0.0520 0.0955 0.0994 0.1187 0.0840 0.1391 0.1514 0.1253 0.1741 0.1757 0.2738 0.2551 0.2635 0.1878 0.2004 0.2094 0.2079 0.3462 0.3767 0.4466 0.3577 0.3158 0.4798 0.4260 0.3975 0.6994 0.3955 0.3429 0.5931 0.8878 1.5240 0.7211 1.3501 1.6135 1.5912 1.2688 0.9708 1.2157 0.8435 1.0456 1.9114 1.4477 1.0288 1.0957 0.8749 0.6499 4.0087 0.7320 1.2306 0.9157 0.6842 1.1975 1.1873 1.1081 1.1692 1.2455 1.3473 1.5299 1.9399 0.9454 2.5337 2.0612 1.4262 1.0121 1.4915 1.7676 1.4858 1.5763 1.2957 1.0296 1.2014 2.3691 1.5125 1.5889 2.4559 1.2066 2.5889 1.9041 2.4533 3.2498 3.2752 2.5856 2.0476 2.2888 1.4255 1.9305 1.1782 1.8255 2.2800 1.2459 3.5750 1.7999 1.7399 1.9082 1.5106 4.0395 1.6171 1.4860 1.7497 4.0816 1.5436 3.2648 1.7972 1.7256 1.7106 2.8944 1.7195 1.8473 1.8846 1.9223 1.9468 2.0313 2.0348 2.0820 2.0881 2.0400 2.3861 1.9157 1.9610 2.1932 2.0973 3.1947 1.7887 1.7055 1.6993 1.7174 1.7258 1.6743 1.7517 1.7460 1.6878 1.9024 2.6664 1.7989 1.7932 1.7287 1.7913 1.8442 1.8536 9.7404 9.4593 28.6256 6.2128 6.3454 6.4115 6.3608 6.3852 6.4396 6.4450 6.3288 6.5322 6.6629 6.7523 6.5426 6.4244 6.7897 6.7512 6.8543 6.8506 6.9555 6.9439 6.9131 6.8260 6.9891 6.9453 6.9774 7.1049 7.2385 7.2669 7.2503 7.3174 7.2822 7.3668 7.4400 7.5100 7.5216 10.5952 0.1508 0.9347 2.0336 0.4806 0.5790 0.6395 1.8197 0.1548 1.1967 1.8832 1.8364 1.7218 3.5070 1.4464 0.2960 2.2212 1.2228 5.3776 88.1656 0.5146 18.2647 10.6912 0.4155 0.1723 0.6868 8.9826 5.3935 3.6286 3.9844 8.9279 2.5555 8.8492 3.1525 1.9300 1.3719 5.7631 15.9171 0.3752 0.1938 1.8070 0.6023 0.5797 0.3128 7.1723 1.1887 2.4454 4.7232 35.5923 84.7399 6.2699 111.3606 14.4469 25.0138 13.4834 20.5517 2.1972 43.8693 1.2275 95.9608 17.0099 11.3484 10.3284 12.6974 0.3320 25.1195 1.6316 4.5691 3.9367 0.1245 0.8170 4.3757 16.1500 4.5939 9.5249 1.9309 4.9879 2.6169 0.3323 15.3699 4.0863 5.5822 0.0562 21.3487 1.1131 9.6561 9.8535 1.5017 0.2778 0.5050 40.4603 1.2550 7.2745 38.4956 0.9164 14.5398 11.9725 0.5053 133.6330 87.8050 23.2824 0.9666 74.8026 26.9949 26.6045 5.1421 11.7930 3.0716 1.3434 51.6309 5.5957 6.1120 4.7470 74.0041 27.7197 1.1066 4.4186 2.7732 125.3823 4.1980 61.5652 38.1527 22.8468 1.1411 170.6178 0.9696 4.7655 2.6717 12.4220 8.4001 38.2178 5.4251 6.5729 8.9874 29.1572 35.0340 2.7326 59.6070 8.0649 6.3228 21.1740 3.2187 3.3791 2.9008 0.9012 1.5627 0.6218 7.4698 8.6691 1.1985 2.3701 7.5062 4.7517 5.6242 13.3451 3.7219 4.3999 19.9531 0.0865 7.4052 617.5150 42.0800 27.1078 9.5807 31.0226 33.6947 40.0864 37.2086 94.7574 10.8561 110.9050 61.4964 18.3767 22.1517 55.3855 64.1050 52.0843 15.6013 80.2684 41.5403 9.0333 15.2968 21.6897 55.0329 44.9093 57.9493 16.5218 17.6569 14.3928 5.5137 0.8073 13.2902 21.7208 2.1024 4.0955 104.2959 0.6440 0.9219 1.8263 0.3586 3.5150 2.6140 0.1201 0.4294 0.8191 2.2051 0.9860 1.4003 0.4966 0.5685 0.9964 0.1258 0.3571 2.1875 3.0641 3.2934 1.5288 0.4188 0.2604 2.9730 2.2326 0.7460 0.4173 0.4425 4.6652 1.0426 1.5986 1.0451 0.2861 0.4128 0.8885 1.1821 0.4990 1.0198 0.1658 0.4574 0.5624 3.9277 1.9034 0.5147 0.8270 1.7531 2.3893 2.8960 2.3295 2.8816 2.2242 4.2262 3.7789 3.6256 4.6951 16.1057 5.2699 6.6971 4.5703 8.7885 3.8731 15.7036 6.1790 1.0134 0.4336 1.0200 3.1545 6.1000 1.3301 0.9070 0.9204 2.8073 1.2731 4.1265 2.5267 6.5729 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760.63 793.89 799.94 829.13 857.56 888.91 942.20 967.80 969.39 1005.73 1045.89 1077.47 1105.27 1125.43 1152.08 1206.62 1224.13 1238.69 1239.70 1248.54 1285.63 1292.95 1306.87 1348.87 1390.04 1404.06 1405.22 1439.74 1453.72 1459.00 1499.72 1518.32 1537.47 1545.75 1566.91 1567.82 1608.82 1611.67 1616.23 1616.91 1617.98 1628.89 1632.74 1641.67 1653.59 1679.51 1697.08 1701.79 1705.32 1714.54 1760.55 1764.61 1775.62 1780.93 1795.79 1823.25 1828.48 1845.71 1846.61 1856.87 1874.40 1878.56 1886.08 1899.04 1911.76 1935.00 1936.62 1956.87 1967.24 1974.95 1999.06 2028.15 2046.55 2052.20 2054.09 2063.94 2074.50 2110.59 2112.90 2122.32 2138.07 2154.10 2163.78 2184.62 2194.69 2196.98 2204.90 2212.63 2227.57 2233.74 2242.33 2254.51 2264.02 2271.67 2281.03 2316.51 2334.45 2346.37 2351.23 2353.69 2354.99 2358.66 2366.06 2368.72 2369.87 2379.19 2383.11 2384.61 2392.16 2394.56 2403.65 2420.34 2425.98 2564.17 2579.07 2897.85 4510.66 4570.44 4577.62 4582.25 4591.69 4594.61 4603.46 4626.50 4626.75 4633.80 4639.13 4647.88 4652.58 4660.48 4676.65 4700.22 4702.29 4705.40 4711.22 4721.36 4724.77 4738.21 4738.90 4749.10 4758.25 4811.72 4821.32 4827.09 4839.08 4848.90 4868.67 4883.69 4909.39 4911.39 5903.53 0.619348 0.648002 0.648946 0.559706 -1825.691348 -1825.662694 -1825.661750 -1825.750990 2.993124D-04 MUNgauss RevisionA2.0 retrievium 19-Jan-2021 DUDE C[C@@]1(CN(C(=O)N1CC2(CCN(CC2)OC)C3CCCCC3)O)S(=O)(=O)c4ccccc4 C39488299 RHF 6-31G(d) (6D,10F) C1 465.229743 |X|Y|Z| 92.612128 67.698355 40.003720 63.064088 25 6 7 16 21 3 1 |36.858105| |12.479981|36.858105| |7.548361|12.373399|36.858105| |5.251158|8.221886|13.257146|53.358707| |5.363460|8.212566|8.360446|18.573405|36.858105| |4.147818|5.489180|5.634540|11.329556|16.031672|73.516695| |7.545720|13.093680|8.176016|11.571657|13.873430|14.731961|53.358707| |6.211207|7.255140|5.139185|7.147690|7.751448|11.913920|17.531657|36.858105| |4.423837|5.048214|3.839812|5.520771|5.475991|9.360258|9.797975|12.182672|36.858105| |4.370588|4.828979|3.564497|4.874447|4.366177|7.080155|7.883723|7.377155|12.329797|36.858105| |4.562387|4.426955|3.269930|4.226671|3.616023|5.821549|6.495865|6.024102|7.371654|12.465573|36.858105| |3.703891|3.529182|2.772318|3.652629|3.144288|5.291009|5.325845|5.161707|6.467991|7.909717|13.161380|53.358707| |3.766945|3.595289|2.874290|3.846767|3.423167|5.917689|5.725914|6.099154|7.325814|6.610788|7.888507|17.956731|36.858105| |3.670609|3.811943|3.079336|4.333673|4.066780|7.322651|6.653130|7.651109|12.258908|7.688617|6.595878|10.686462|12.437553|36.858105| |3.309892|3.024920|2.445530|3.164239|2.633387|4.428891|4.337277|3.926866|4.425692|5.187855|8.032524|18.636158|8.091762|5.178135|73.516695| |3.633407|3.123220|2.527341|3.177771|2.598012|4.303488|4.301049|3.786332|3.878067|4.358260|6.535674|10.847846|6.388629|4.309769|24.154522|36.858105| |3.554016|4.289402|3.583044|5.596618|5.594730|10.641353|8.251854|7.406449|12.119572|7.411718|4.816258|6.007172|4.807660|7.402363|5.934655|2.957838|36.858105| |2.914046|3.405218|2.918034|4.447529|4.012133|7.443878|5.814758|4.814322|7.225536|6.519544|4.366482|5.544789|4.092564|5.656917|5.623347|2.725508|12.342155|36.858105| |2.499036|2.936679|2.661659|4.175290|3.627301|6.990171|4.865639|3.749462|4.784972|4.344823|3.247957|4.177776|3.121128|4.038197|4.484648|2.236251|7.484107|12.413576|36.858105| |2.317616|2.678926|2.497966|3.962926|3.473150|7.104828|4.475173|3.503440|4.231544|3.587869|2.831019|3.779227|2.953411|3.849303|4.122685|2.080467|6.351060|7.470600|12.469514|36.858105| |2.601738|3.047816|2.873120|4.700410|4.347702|9.698905|5.339739|4.211448|4.815232|3.728057|2.949455|3.927400|3.201809|4.307064|4.250302|2.181934|7.476344|6.453248|7.584383|12.467023|36.858105| |3.066683|3.561282|3.184536|5.063125|5.015886|10.915318|6.629324|5.897718|7.323625|4.848677|3.709774|5.002799|4.287272|6.506426|5.186075|2.628805|12.344065|7.614928|6.515781|7.556605|12.448723|36.858105| |4.097913|5.370533|8.199331|18.824867|8.222254|12.598896|7.558472|4.083001|3.287296|2.891716|2.571302|3.131942|2.451705|2.737963|3.613025|2.049795|3.406130|2.790576|2.714637|2.676943|3.196419|3.300829|73.516695| |6.885987|10.204131|6.782454|7.736440|5.409763|7.341785|9.579405|5.156142|4.519293|5.079423|4.552952|4.670849|3.230141|3.394558|5.278132|2.986925|4.023913|3.505276|3.027492|2.622025|2.817010|3.175471|7.244492|388.023441| |6.576562|7.155493|4.823066|5.622318|4.224418|6.121302|7.674469|4.935034|4.614147|5.872302|5.885961|5.560344|3.602010|3.582492|6.346848|3.614261|3.823486|3.445840|2.873596|2.474682|2.603846|2.997151|5.688066|94.026566|73.516695| |4.826309|7.118657|5.778363|8.045337|5.716293|8.010145|8.920293|4.851336|4.613757|5.057440|4.090136|4.346108|3.037530|3.365455|4.826312|2.634730|4.578846|4.095646|3.631709|3.031263|3.209301|3.500044|7.508280|94.380503|13.577673|73.516695| |5.395511|6.464034|5.987405|6.464744|4.057398|5.797367|6.246280|3.589490|3.186884|3.473882|3.315419|3.632461|2.528249|2.591629|4.317792|2.502055|2.956360|2.679807|2.433820|2.161630|2.296460|2.489918|6.668575|76.270394|13.094262|13.038424|36.858105| |5.121894|5.151934|4.723238|5.064970|3.306891|4.880152|5.137781|3.154753|2.819488|3.109057|3.147447|3.495199|2.405915|2.384235|4.289405|2.550721|2.556394|2.344549|2.121237|1.906683|2.013626|2.194284|5.526532|49.448538|11.545484|8.829310|13.731238|36.858105| |3.887590|3.880459|3.854062|4.298222|2.775810|4.214120|4.122346|2.588584|2.345826|2.540309|2.569490|2.954830|2.051932|2.033759|3.684576|2.190879|2.175456|2.024523|1.871032|1.701156|1.785926|1.912056|4.935456|33.640514|7.889583|6.833238|7.966733|13.756414|36.858105| |3.327364|3.506737|3.701271|4.292165|2.697927|4.138719|3.849857|2.391678|2.182964|2.322858|2.285793|2.665560|1.872294|1.889833|3.297078|1.930743|2.082655|1.950628|1.840682|1.679522|1.759341|1.848786|5.051368|29.904188|6.613424|6.592145|6.916314|7.940296|13.745859|36.858105| |3.393650|3.839710|4.207873|5.035048|3.057009|4.649729|4.251075|2.564100|2.340932|2.465027|2.349008|2.726207|1.928574|1.988483|3.311527|1.909976|2.282730|2.132354|2.034801|1.846342|1.938450|2.015253|5.860796|33.659559|6.871358|7.887328|7.967955|6.850139|7.914263|13.733724|36.858105| |4.121511|5.057047|5.429962|6.424616|3.818910|5.599933|5.394445|3.110228|2.810457|2.972636|2.763922|3.131192|2.212409|2.311570|3.727305|2.132847|2.735966|2.517060|2.370269|2.119037|2.241303|2.354963|6.943845|49.478040|8.890785|11.567243|13.719650|7.879356|6.848522|7.938958|13.768164|36.858105| |17.582444|8.903724|6.873632|6.883945|5.342689|7.610690|9.519503|6.247410|4.253155|3.936828|4.104669|4.834351|3.811149|3.701522|5.687019|3.546057|3.436830|2.774698|2.401107|2.283311|2.610651|3.099037|7.423796|36.294905|8.632843|7.102788|4.234330|4.057181|3.293230|2.903875|2.961997|3.479303|0.500000| |17.678056|8.737709|5.477124|5.834375|4.590982|6.614127|8.941697|6.303959|4.778245|5.039969|5.770461|6.068916|4.354608|4.023052|7.097388|4.494112|3.631916|3.027446|2.531627|2.319919|2.560680|3.066102|6.082348|46.601710|13.547946|8.215150|4.911947|4.855256|3.671348|3.089964|3.102032|3.719217|0.299619|0.500000| |17.569311|8.867579|7.028702|6.404469|4.431028|6.267978|7.562265|4.607220|3.569654|3.630210|3.825315|4.310149|3.152545|3.047701|5.212593|3.255266|3.003131|2.552395|2.239469|2.079340|2.300518|2.633017|6.822394|45.184169|10.736484|7.853053|5.996758|6.232116|4.670177|3.835778|3.770370|4.457041|0.301741|0.302480|0.500000| |7.430521|8.839838|17.525974|12.467136|6.986541|9.242710|9.194935|4.800723|3.525995|3.209696|3.041003|3.614827|2.811804|2.959017|4.228485|2.499296|3.242187|2.641983|2.416960|2.321464|2.693046|2.998372|13.753375|36.392589|7.236099|7.797161|4.744146|4.117423|3.497198|3.330752|3.624925|4.332696|0.219855|0.146179|0.196702|0.500000| |6.236106|8.595964|17.694854|12.376319|5.941879|7.889287|7.966711|4.087613|3.277139|3.175603|2.956872|3.411256|2.540330|2.680374|4.002127|2.333288|3.107651|2.640129|2.447590|2.278995|2.555033|2.761914|12.226158|47.511991|8.314823|10.048199|7.345302|5.557442|4.612631|4.566347|5.380897|7.099188|0.151865|0.132939|0.183968|0.301388|0.500000| |7.501079|7.126464|4.870405|6.174428|5.892979|8.987613|12.590205|17.693101|8.780959|6.884453|6.851969|7.931510|6.913762|7.056628|8.030198|4.575949|5.440474|4.001206|3.169883|2.966648|3.435143|4.560045|6.460588|35.722449|9.237375|7.742063|3.593194|3.286861|2.675509|2.415564|2.528482|3.023741|0.214785|0.233044|0.146416|0.131450|0.109935|0.500000| |5.166686|5.785773|4.710997|6.854565|7.628421|13.571595|12.660312|17.633256|8.831380|5.463011|4.693063|6.018032|5.591390|7.248647|6.225692|3.400177|6.764778|4.407394|3.603043|3.570668|4.534838|6.536632|7.439137|29.372622|6.908819|7.111986|3.104941|2.763962|2.332532|2.186058|2.342012|2.779720|0.157168|0.139335|0.111634|0.129090|0.104043|0.306041|0.500000| |3.505742|3.834158|3.012820|4.198613|3.673859|6.201500|6.108616|5.444115|8.886893|17.632994|9.107652|10.029082|5.923278|6.996071|8.886810|3.981967|6.988448|7.626813|4.784875|3.806151|3.732773|4.709221|4.563355|29.476341|8.361231|7.696358|3.026250|2.737401|2.293134|2.122520|2.250630|2.664895|0.089478|0.109652|0.083960|0.076068|0.076136|0.140722|0.123678|0.500000| |4.657766|5.513226|3.963440|5.395543|4.678548|7.262905|8.543641|6.692671|8.722466|17.654800|8.854853|7.745565|4.905784|5.532887|7.548934|3.787678|6.690573|6.060637|4.315660|3.463229|3.575427|4.386733|5.517664|47.319576|13.695058|12.206076|4.169887|3.593364|2.866200|2.620646|2.822618|3.506947|0.111288|0.145881|0.108942|0.095443|0.099454|0.170083|0.137455|0.304890|0.500000| |4.004417|3.887137|2.962008|3.808483|3.139954|5.064935|5.417256|4.594694|5.438893|8.878894|17.606111|12.595903|5.721474|4.941954|13.346035|6.126546|4.048526|3.934956|3.020880|2.598532|2.635149|3.177538|4.163605|30.813998|10.512945|6.945494|3.280875|3.179347|2.609330|2.305669|2.345453|2.731163|0.098525|0.138461|0.097897|0.076128|0.076548|0.140213|0.103872|0.221911|0.214847|0.500000| |5.908694|5.250766|3.696820|4.571048|3.861917|6.021085|7.249468|6.553095|6.552373|8.744542|17.510559|12.240077|6.995931|5.728826|12.346599|6.956558|4.352961|3.765755|2.926345|2.606390|2.783022|3.468251|4.892443|36.309586|12.185911|7.526227|3.683750|3.557706|2.840883|2.477091|2.519168|2.976586|0.143260|0.232505|0.132554|0.096339|0.091985|0.235981|0.138389|0.175279|0.210545|0.303305|0.500000| |3.150213|3.000287|2.492740|3.357832|2.930056|5.175071|4.680055|4.650620|5.417590|4.968514|5.723339|12.634462|17.591595|8.857323|13.470245|5.902461|4.048608|3.615269|2.858207|2.770015|2.961643|3.842803|3.897260|19.410106|5.345254|4.620423|2.212248|2.125924|1.845969|1.695257|1.738410|1.965258|0.089676|0.098770|0.075396|0.068468|0.061978|0.141183|0.125837|0.133350|0.108509|0.128939|0.143125|0.500000| |4.347176|3.926433|3.113981|4.062308|3.602518|6.115451|6.139227|6.612033|6.474781|5.681925|6.964471|12.226595|17.439720|8.777446|12.440852|6.788458|4.327815|3.562913|2.819220|2.701692|3.000483|3.951371|4.607552|23.733867|6.569289|5.399595|2.632593|2.529386|2.149273|1.946015|1.991768|2.281679|0.126811|0.141074|0.098995|0.086461|0.075551|0.237618|0.171501|0.133924|0.126003|0.142913|0.204132|0.302537|0.500000| |3.486903|3.612032|3.034524|4.336091|4.121343|7.769701|6.383616|7.181205|8.697044|5.538970|4.935460|7.737361|8.922812|17.565002|7.576474|3.766618|6.607291|4.893902|3.785159|3.853439|4.567424|7.125593|4.996273|21.935715|5.597107|5.451753|2.419425|2.227820|1.923272|1.801836|1.898647|2.189436|0.101453|0.102458|0.080855|0.082796|0.072731|0.179860|0.227055|0.141279|0.122840|0.108576|0.128548|0.213512|0.216982|0.500000| |3.093328|3.247099|2.697992|3.841802|3.501867|6.415796|5.473589|5.555748|8.840953|6.871050|5.750691|9.649064|8.968462|17.572305|8.678694|3.882697|7.071928|6.368002|4.418988|4.188295|4.401281|6.371293|4.381056|21.635568|5.722526|5.514226|2.372487|2.186997|1.887625|1.767455|1.861697|2.146460|0.085493|0.093521|0.073463|0.071564|0.066582|0.141920|0.147992|0.205437|0.140461|0.129193|0.132102|0.221387|0.174423|0.303694|0.500000| |3.076913|2.673871|2.227983|2.812766|2.265510|3.787638|3.650218|3.120126|3.203346|3.555845|4.904165|7.958277|4.924645|3.558976|17.071221|17.616216|2.555940|2.405041|2.014972|1.887173|1.960445|2.314372|3.273698|18.437754|5.488177|4.115180|2.241753|2.311979|2.025555|1.791900|1.759236|1.935767|0.083936|0.102124|0.078817|0.061501|0.057871|0.101214|0.079649|0.093370|0.088003|0.135677|0.140368|0.136223|0.141456|0.088747|0.092170|0.500000| |4.130438|3.447383|2.732889|3.361903|2.707154|4.388633|4.561877|3.873877|3.860488|4.525456|7.039577|9.417567|5.415614|3.983057|16.336878|17.563509|2.946985|2.709305|2.229580|2.047925|2.147587|2.564151|3.808794|23.998964|7.598537|5.122278|2.825679|2.933046|2.477900|2.142638|2.100403|2.354584|0.107884|0.148721|0.103847|0.074441|0.070649|0.131773|0.093977|0.111550|0.113686|0.193731|0.231793|0.131752|0.162617|0.096455|0.099005|0.300850|0.500000| |3.852053|3.237005|2.635824|3.305841|2.728568|4.540197|4.512400|4.066496|3.969198|4.146540|5.779462|9.609031|6.973825|4.545436|16.303427|17.560067|3.000591|2.683142|2.215671|2.097716|2.242824|2.730998|3.815522|20.905074|6.105861|4.602497|2.464284|2.496379|2.150092|1.904524|1.890331|2.111404|0.108860|0.130480|0.094316|0.073745|0.066687|0.141045|0.104009|0.103101|0.099934|0.139964|0.180171|0.180411|0.238239|0.114560|0.109511|0.300910|0.299208|0.500000| |3.798244|4.933857|4.183417|6.920703|7.155489|13.241940|9.862870|7.276616|8.887065|6.486110|4.371846|5.189982|4.031426|5.514348|5.322127|2.736394|17.571339|9.033840|7.033430|5.817795|7.007185|8.915605|7.167004|33.134682|7.336895|10.128202|3.342910|2.794378|2.362619|2.286104|2.558353|3.136848|0.100270|0.104336|0.089463|0.101392|0.099931|0.145894|0.179941|0.161495|0.187690|0.104852|0.114803|0.094947|0.105803|0.142316|0.141975|0.066066|0.077441|0.077046|0.500000| |2.996919|3.515207|2.955766|4.405437|3.838662|6.766912|5.752219|4.571520|6.637577|7.380757|4.749032|5.683414|3.923696|5.010254|5.795539|2.801837|8.747827|17.603839|8.952131|5.507303|4.857886|5.511609|4.833021|27.552631|6.916697|8.234160|2.914453|2.536237|2.171182|2.082848|2.279248|2.713452|0.077307|0.087610|0.073505|0.073229|0.075456|0.108941|0.111102|0.257529|0.206891|0.123589|0.111498|0.095186|0.095485|0.116952|0.151632|0.068624|0.078810|0.075055|0.216104|0.500000| |2.684071|3.011309|2.587698|3.848746|3.421482|6.369644|5.014844|4.333835|6.540689|6.034759|4.344818|5.926354|4.386401|6.091252|5.988795|2.818120|8.744889|17.488851|8.836925|6.695227|5.637179|6.831027|4.383189|21.746908|5.524543|6.065634|2.396917|2.147192|1.869338|1.790507|1.928820|2.238700|0.071838|0.078583|0.065610|0.066389|0.065339|0.104279|0.112777|0.212284|0.144472|0.109209|0.101487|0.111055|0.101931|0.143704|0.217662|0.069504|0.076130|0.076729|0.174820|0.303338|0.500000| |2.582184|3.121043|2.878307|4.626854|3.939151|7.506306|5.126726|3.720882|4.478316|4.142999|3.110875|3.879601|2.875185|3.617280|4.212480|2.140852|6.771622|8.871669|17.498251|8.875350|6.810766|5.689309|5.306935|23.339633|5.349809|7.342258|2.644477|2.259066|1.992425|1.982139|2.228162|2.623283|0.068268|0.071592|0.064691|0.071346|0.074051|0.086909|0.098292|0.121270|0.120843|0.080978|0.079575|0.072417|0.073862|0.094800|0.105013|0.053587|0.060126|0.058963|0.208910|0.219290|0.173964|0.500000| |2.246966|2.586219|2.354100|3.609371|3.034320|5.720315|4.127759|3.172258|3.985267|3.856646|2.994304|3.892563|2.838615|3.520245|4.263910|2.114249|5.472593|8.843017|17.522054|8.815550|5.508295|4.879782|4.222123|19.416502|4.699702|5.747820|2.248637|1.984730|1.767393|1.741489|1.912830|2.198354|0.059771|0.063726|0.056672|0.059709|0.061104|0.076985|0.084294|0.122028|0.106614|0.079459|0.074380|0.073470|0.070881|0.090936|0.109237|0.053518|0.058478|0.057576|0.142989|0.216327|0.215839|0.303592|0.500000| |2.107013|2.429283|2.320535|3.693173|3.126817|6.367446|3.949688|2.994191|3.452460|3.028875|2.460145|3.269755|2.529016|3.160992|3.647025|1.863005|4.791831|5.463103|8.821695|17.520791|8.798867|5.492129|4.537787|17.053018|3.990676|4.944848|2.028761|1.792080|1.617555|1.613366|1.779861|2.021842|0.057679|0.058128|0.053222|0.060047|0.059584|0.071707|0.084920|0.088479|0.082948|0.063675|0.063710|0.066482|0.065231|0.088440|0.093938|0.047378|0.051165|0.052125|0.130222|0.123954|0.138027|0.215824|0.211153|0.500000| |2.175693|2.450649|2.266637|3.505743|3.052166|6.145633|4.038912|3.265347|4.008815|3.432455|2.777241|3.828988|3.013110|3.913383|4.198594|2.093811|5.559446|6.701148|8.855850|17.487258|8.859365|6.801095|4.235593|17.005856|4.106562|4.783852|1.986767|1.779809|1.593344|1.563295|1.698420|1.930502|0.059901|0.061171|0.054305|0.059254|0.057585|0.078534|0.093051|0.103445|0.089411|0.070951|0.070284|0.080344|0.075352|0.109477|0.123578|0.053058|0.056529|0.058606|0.133127|0.138963|0.195503|0.173958|0.215023|0.303192|0.500000| |2.709345|3.272343|3.176169|5.441153|5.014083|11.698836|5.748356|4.217197|4.521460|3.584086|2.839763|3.674552|2.948776|3.829559|4.014123|2.094501|6.796733|5.673181|6.796638|8.834503|17.528974|8.863915|6.622822|21.423225|4.791203|6.256948|2.466421|2.127269|1.887907|1.878646|2.099413|2.446341|0.075135|0.072669|0.066857|0.081583|0.078338|0.094715|0.124858|0.097167|0.099266|0.070931|0.075825|0.074862|0.078492|0.111192|0.104948|0.052272|0.058039|0.059782|0.209025|0.127560|0.130877|0.199666|0.139239|0.213901|0.173610|0.500000| |2.377220|2.717843|2.614257|4.221393|3.801712|8.521972|4.638993|3.670998|4.014684|3.167549|2.617194|3.560505|2.943830|3.833864|3.933468|2.037174|5.466796|4.838320|5.509559|8.819334|17.520824|8.844364|5.294750|17.609519|4.097747|4.892411|2.070057|1.839292|1.648822|1.627542|1.780564|2.028662|0.067294|0.064750|0.058891|0.069530|0.064890|0.085731|0.113307|0.087924|0.083824|0.065283|0.069319|0.077459|0.077514|0.117411|0.108649|0.051303|0.055289|0.058637|0.142473|0.106871|0.126221|0.139561|0.123343|0.210578|0.215288|0.303394|0.500000| |2.792769|3.109351|2.766939|4.234854|3.998253|8.254655|5.506149|5.070685|6.578141|4.589455|3.660182|5.228374|4.600593|7.176695|5.424685|2.693489|8.807553|6.962927|5.816829|6.926117|8.923307|17.511235|4.990207|20.035614|4.885189|5.387160|2.248942|2.021198|1.773003|1.705352|1.835645|2.115722|0.078828|0.079076|0.067154|0.073483|0.067620|0.116413|0.154992|0.129334|0.110776|0.087348|0.093129|0.119268|0.113378|0.227676|0.216988|0.066268|0.071465|0.077758|0.174342|0.141208|0.205318|0.133334|0.129981|0.141016|0.204562|0.174513|0.215395|0.500000| |3.305161|3.818842|3.472768|5.567229|5.768458|13.545052|7.327789|6.625131|6.839335|4.447773|3.578228|4.826987|4.291115|6.239987|5.083539|2.647851|8.742600|5.509015|4.857597|5.522804|8.897293|17.624065|6.548145|22.739824|5.293981|6.082347|2.526445|2.233062|1.946100|1.878606|2.042688|2.383139|0.095562|0.089956|0.077977|0.092866|0.081774|0.139460|0.235822|0.114319|0.112965|0.084232|0.096524|0.106434|0.115564|0.210433|0.154305|0.064567|0.071789|0.078080|0.209924|0.122757|0.140142|0.126420|0.107089|0.123617|0.140687|0.214820|0.216399|0.302998|0.500000| |3.514048|4.558049|6.252058|13.887621|7.022746|11.844064|6.576478|3.687989|3.117000|2.761861|2.422459|2.963257|2.303196|2.599271|3.416777|1.917285|3.359307|2.811657|2.817155|2.788907|3.310143|3.280539|35.705288|26.855150|5.303726|7.336597|3.505606|2.889117|2.614507|2.725443|3.215232|3.779565|0.097683|0.084163|0.092044|0.157423|0.157949|0.090272|0.104618|0.069265|0.082694|0.061845|0.070763|0.057608|0.066551|0.073882|0.066097|0.048099|0.055452|0.055318|0.111798|0.075937|0.068484|0.087640|0.068436|0.075053|0.068058|0.110103|0.085536|0.077092|0.099598|0.500000| |5.675154|5.157010|4.380868|4.708867|3.210688|4.767167|5.174829|3.297410|2.948873|3.319990|3.515638|3.850864|2.609476|2.521227|4.788836|2.905509|2.591011|2.371285|2.106885|1.894383|1.999631|2.214532|5.136331|47.261109|13.210057|8.149066|8.913838|17.754541|8.895389|5.643000|4.943775|5.626452|0.121658|0.159676|0.194709|0.109463|0.133472|0.098565|0.079325|0.080390|0.105194|0.099636|0.113543|0.063706|0.076815|0.064849|0.063842|0.072750|0.095358|0.078305|0.077181|0.071332|0.060998|0.061446|0.054838|0.049083|0.049549|0.057949|0.050796|0.057211|0.062618|0.074109|0.500000| |3.520979|3.359892|3.298500|3.727286|2.460972|3.794506|3.661583|2.366131|2.158749|2.340407|2.419087|2.821676|1.953767|1.908679|3.581622|2.154215|1.988676|1.861215|1.718451|1.572327|1.645439|1.764551|4.359343|27.801054|6.900915|5.734239|5.658844|8.929372|17.729465|8.907386|5.635344|4.940330|0.084649|0.094417|0.117607|0.085910|0.105646|0.068782|0.059692|0.059138|0.072022|0.068757|0.074318|0.049222|0.056985|0.050223|0.049353|0.055962|0.067840|0.058573|0.059139|0.055230|0.048278|0.050343|0.045350|0.041557|0.041230|0.047921|0.042472|0.045894|0.049911|0.064153|0.214509|0.500000| |2.845308|2.947997|3.131907|3.720244|2.365939|3.697516|3.334720|2.112366|1.943790|2.055556|2.033083|2.409692|1.697856|1.708676|3.007616|1.762371|1.865922|1.761229|1.676498|1.541781|1.608515|1.678018|4.503718|24.169028|5.496491|5.481193|4.974713|5.649947|8.925053|17.720767|8.920957|5.649896|0.070679|0.074031|0.090127|0.080411|0.104402|0.059305|0.054290|0.052747|0.063504|0.057106|0.060737|0.043100|0.048940|0.045488|0.044649|0.045873|0.053929|0.048327|0.056416|0.051954|0.045236|0.049940|0.044335|0.041380|0.040038|0.047561|0.041635|0.043264|0.047351|0.068023|0.124109|0.215072|0.500000| 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