Version2.2 2021-02-09T15:35:20Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 24-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)NC(=O)C[NH+](C)[C@@H](c2ccccc2)C(=O)Nc3ccccc3 C30538298 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)NC(=O)C[NH+](C)[C@@H](c2ccccc2)C(=O)Nc3ccccc3 C01[X(C24H26N3O2)] 159 C1 487 O=C(Nc1ccc(cc1)C)C[NH+]([C@H](C(=O)Nc1ccccc1)c1ccccc1)C O=C(Nc1ccc(cc1)C)C[NH+]([C@H](C(=O)Nc1ccccc1)c1ccccc1)C C[NH+](CC(=O)Nc1ccc(C)cc1)[C@H](C(=O)Nc2ccccc2)c3ccccc3 InChIKey=WQPPHCJOLDIPGE-QHCPKHFHSA-O InChI=1S/C24H25N3O2/c1-18-13-15-21(16-14-18)25-22(28)17-27(2)23(19-9-5-3-6-10-19)24(29)26-20-11-7-4-8-12-20/h3-16,23H,17H2,1-2H3,(H,25,28)(H,26,29)/p+1/t23-/m0/s1 InChI=1/C24H25N3O2/c1-18-13-15-21(16-14-18)25-22(28)17-27(2)23(19-9-5-3-6-10-19)24(29)26-20-11-7-4-8-12-20/h3-16,23H,17H2,1-2H3,(H,25,28)(H,26,29)/p+1/t23-/m0/s1/fC24H26N3O2/h25-27H/q+1 Cc1ccc(cc1)NC(=O)C[NH+](C)[C@@H](c2ccccc2)C(=O)Nc3ccccc3 C01[X(C24H26N3O2)] 159 C01 487 O=C(Nc1ccc(cc1)C)C[NH+]([C@H](C(=O)Nc1ccccc1)c1ccccc1)C C[NH]([C@H]([C]([NH][C]1[CH][CH][CH][CH][CH]1)=O)[C]1[CH][CH][CH][CH][CH]1)C[C]([NH][C]1[CH][CH][C]([CH][CH]1)C)=O C[C]1[CH][CH][C]([CH][CH]1)NC(=O)C[NH](C)[C@@H]([C]2[CH][CH][CH][CH][CH]2)C(=O)N[C]3[CH][CH][CH][CH][CH]3 InChIKey=KFJWQWIABYGDQO-QHCPKHFHSA-N InChI=1S/C24H26N3O2/c1-18-13-15-21(16-14-18)25-22(28)17-27(2)23(19-9-5-3-6-10-19)24(29)26-20-11-7-4-8-12-20/h3-16,23,27H,17H2,1-2H3,(H,25,28)(H,26,29)/t23-/m0/s1 InChI=1/C24H26N3O2/c1-18-13-15-21(16-14-18)25-22(28)17-27(2)23(19-9-5-3-6-10-19)24(29)26-20-11-7-4-8-12-20/h3-16,23,27H,17H2,1-2H3,(H,25,28)(H,26,29)/t23-/m0/s1/f/h25-26H 2561.5551735617 -1236.8982032 1-A 18336.4003 103 384 487 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.67282 -20.67032 -15.83617 -15.73188 -15.72814 -11.49934 -11.49830 -11.45407 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0.9718 1.4911 2.0658 1.0208 1.7529 1.6934 1.0128 1.0583 1.3409 2.4919 1.4797 1.5750 1.6784 2.0344 1.9173 1.3572 1.9765 1.9792 1.7874 1.7018 1.1727 1.1733 1.8910 2.3314 2.2272 1.9003 1.8197 1.9747 2.2185 1.7294 1.9265 1.7013 1.7532 1.7874 1.7894 1.8990 2.7234 1.8049 2.3716 1.7491 1.9645 3.0408 2.2225 2.1461 1.6608 1.7349 1.7497 1.7114 3.4038 3.4863 3.9277 4.4711 4.1718 9.4380 7.7234 9.5378 9.2131 7.6175 10.7768 18.8706 21.1351 6.3075 6.9246 6.5320 6.7759 6.9149 7.0434 7.2017 7.2134 7.3211 7.2352 7.3056 7.4174 7.3124 7.3157 7.3654 7.3682 7.3939 7.4434 7.5424 7.4870 7.5128 7.5889 7.7017 8.0632 9.4455 9.4474 0.0065 0.0783 0.0537 0.6831 0.9097 1.1916 6.7639 0.0695 2.6538 2.3573 0.3652 3.0325 5.9007 4.3262 4.5975 2.7104 1.9146 6.5081 0.9832 25.5549 2.1660 5.3890 10.1373 11.1073 1.0079 2.6502 40.5507 2.9347 0.4937 0.0445 0.1850 44.8818 3.3869 68.3478 51.5346 7.5455 12.1839 35.2596 71.1723 5.3446 10.5617 2.5913 0.2026 0.4798 0.4296 13.6433 5.8510 12.9485 12.9850 19.3484 14.7749 20.4899 86.7875 13.9323 22.2093 3.4309 35.4231 12.8601 5.4598 2.4649 0.3851 28.9086 15.7366 100.6611 11.7930 9.4311 1.0316 9.3811 5.5956 4.0281 2.3137 7.7898 0.2180 15.1781 6.0415 0.7688 2.1889 2.3497 0.6565 0.1553 4.4372 20.9416 3.6577 8.1052 4.1572 6.1631 1.1398 2.2294 8.8098 8.0835 8.9586 18.7942 1.0214 1.6734 4.0189 11.1141 2.2975 5.0952 9.7076 159.1809 45.3159 110.9899 172.1294 52.2010 102.7940 138.2565 2.9277 24.8681 260.4132 0.0574 70.8499 0.5895 42.8573 51.7739 15.7405 11.4931 7.1950 20.5081 8.8418 35.0040 15.0916 65.5155 31.3941 554.1624 343.5938 4.2303 103.2206 1.6272 6.1250 156.8857 9.1807 339.7986 270.3051 30.0221 22.6095 5.0366 11.8634 5.4953 18.8168 14.6557 15.9371 7.7261 7.3217 11.8387 1.9128 0.7922 0.0917 14.0800 1.6553 16.6467 7.4073 0.0887 15.5871 6.5668 1.4707 0.6325 106.7665 44.5395 41.6305 7.3173 6.2013 2.6346 0.5016 2.6082 6.1472 4.7558 3.1145 4.1334 1.9663 1.0769 0.8018 0.4026 1.6674 2.4136 0.4287 1.6284 3.3700 2.5803 1.0139 2.3031 1.1013 0.4996 3.0214 3.3378 0.9200 3.4243 0.3871 0.1795 0.0236 0.4313 1.1476 1.4539 4.6657 0.5731 1.4369 3.4194 0.6892 3.1967 2.0136 1.1574 3.6684 5.9796 4.1503 7.1166 1.6890 2.8546 0.1565 1.8166 1.5717 13.5262 9.5603 0.1777 1.6651 12.8877 2.5907 4.5163 4.6701 2.4071 2.3881 1.9165 10.7580 2.8962 1.7132 3.1987 11.6897 3.6273 9.4858 10.8728 44.6868 2.3200 4.0269 0.1904 5.2964 0.3866 0.2228 11.4260 14.4251 0.7063 0.1385 1.2799 16.8699 0.6811 2.1519 0.9271 1.5614 8.9535 8.7611 16.1023 12.4216 4.5477 32.5098 8.0893 4.8699 15.6625 16.6376 3.3923 2.0820 1.9643 4.9106 87.1139 8.8674 5.1811 4.5471 2.1150 2.6963 0.2740 7.8360 3.7117 18.0663 4.1593 4.5878 0.9082 3.6531 4.8905 6.5701 20.7798 16.0121 12.4845 11.3184 0.7155 6.2487 4.4185 13.4023 21.1584 7.0328 3.4205 38.9015 93.1188 23.3831 130.0179 20.2943 57.5015 185.3851 93.8454 57.3249 52.0363 69.5861 69.4614 45.9576 51.8992 48.9376 44.7752 76.5149 61.1543 25.2852 73.1859 133.9963 82.2954 82.4125 57.2271 51.7807 233.7360 237.8982 60.3237 46.2646 31.9286 45.5222 47.9051 0.7463 0.7364 0.7451 0.7449 0.7439 0.7410 0.7255 0.6513 0.7498 0.7166 0.7461 0.7316 0.7197 0.1863 0.6519 0.0961 0.4775 0.6806 0.7088 0.7276 0.7392 0.4275 0.2862 0.3136 0.6473 0.7399 0.2164 0.5178 0.6693 0.4418 0.5729 0.5902 0.1425 0.5216 0.7497 0.4878 0.5098 0.5677 0.7499 0.5382 0.6629 0.3757 0.6619 0.7428 0.7489 0.3310 0.3467 0.7235 0.7273 0.4483 0.2425 0.1834 0.5041 0.2643 0.1327 0.3950 0.1643 0.1258 0.6378 0.6394 0.7052 0.1153 0.7105 0.3922 0.3312 0.4295 0.5218 0.3559 0.6561 0.0151 0.5104 0.6155 0.7284 0.7476 0.7463 0.2163 0.1391 0.1334 0.6989 0.6428 0.5643 0.3932 0.3224 0.2971 0.4323 0.6771 0.7480 0.0884 0.1546 0.0916 0.6096 0.1192 0.2827 0.4496 0.6472 0.3176 0.7404 0.7233 0.1536 0.6497 0.1892 0.4219 0.6177 0.5147 0.3278 0.5741 0.7445 0.3912 0.7044 0.4897 0.6612 0.6028 0.4346 0.6358 0.7272 0.6885 0.7464 0.7337 0.5319 0.7194 0.7062 0.3192 0.3269 0.3936 0.3422 0.7470 0.5978 0.5284 0.5053 0.3815 0.4539 0.2652 0.2628 0.0510 0.7365 0.0208 0.0472 0.0583 0.7489 0.4470 0.5600 0.5902 0.3451 0.3993 0.5457 0.6146 0.5950 0.1998 0.6307 0.7427 0.6883 0.7144 0.1334 0.1081 0.2199 0.1989 0.1758 0.1395 0.1292 0.8547 0.8482 0.8539 0.8538 0.8532 0.8512 0.8409 0.7889 0.8570 0.8349 0.8546 0.8450 0.8370 0.3141 0.7893 0.1754 0.6464 0.8099 0.8296 0.8423 0.8501 0.5989 0.4450 0.4774 0.7859 0.8505 0.3558 0.6823 0.8019 0.6128 0.7284 0.7423 0.2494 0.6856 0.8570 0.6558 0.6753 0.7243 0.8571 0.6998 0.7973 0.5462 0.7965 0.8524 0.8565 0.4974 0.5149 0.8395 0.8421 0.6190 0.3903 0.3100 0.6703 0.4181 0.2343 0.5663 0.2823 0.2235 0.7789 0.7800 0.8271 0.2068 0.8307 0.5634 0.4976 0.6009 0.6857 0.5250 0.7923 0.0297 0.6758 0.7620 0.8429 0.8556 0.8547 0.3557 0.2443 0.2355 0.8228 0.7825 0.7214 0.5645 0.4877 0.4581 0.6036 0.8075 0.8558 0.1625 0.2678 0.1678 0.7575 0.2129 0.4407 0.6203 0.7858 0.4820 0.8508 0.8395 0.2663 0.7877 0.3182 0.5935 0.7637 0.6796 0.4938 0.7295 0.8536 0.5624 0.8266 0.6574 0.7961 0.7521 0.6059 0.7774 0.8421 0.8155 0.8548 0.8464 0.6944 0.8368 0.8278 0.4839 0.4927 0.5649 0.5099 0.8551 0.7483 0.6914 0.6713 0.5523 0.6244 0.4192 0.4162 0.0970 0.8483 0.0408 0.0902 0.1103 0.8564 0.6178 0.7180 0.7423 0.5131 0.5707 0.7061 0.7613 0.7461 0.3331 0.7736 0.8524 0.8154 0.8334 0.2354 0.1952 0.3605 0.3319 0.2991 0.2449 0.2289 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 6 6 6 6 6 6 6 7 6 8 6 7 1 6 6 1 6 6 6 6 6 6 6 8 7 6 6 6 6 6 6 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 14.00307 12.00000 15.99491 12.00000 14.00307 1.00783 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 5523.2228 28917.5443 31723.8535 0.99999 0.00305 -0.00179 -0.00307 0.99995 -0.00933 0.00177 0.00934 0.99995 1 0.01568 0.00300 0.00273 0.32676 0.06241 0.05689 11.35 15.55 22.42 28.37 29.24 46.31 69.76 82.71 84.77 100.46 118.72 156.55 186.59 235.33 242.03 250.33 310.45 335.24 355.44 389.76 408.68 467.30 475.65 532.06 538.31 556.01 572.57 616.98 652.71 655.37 657.20 686.90 716.77 783.19 794.44 812.27 823.57 848.06 872.32 918.63 951.71 955.87 971.92 973.68 1006.88 1100.93 1108.90 1117.05 1122.32 1139.61 1198.88 1209.11 1228.91 1258.35 1312.44 1323.00 1339.41 1348.88 1355.39 1356.97 1391.54 1413.32 1486.45 1494.40 1512.48 1533.36 1547.38 1553.76 1568.02 1568.88 1578.98 1586.90 1588.69 1593.12 1608.24 1612.44 1626.20 1631.33 1635.27 1657.92 1691.71 1693.42 1716.86 1721.03 1731.60 1752.84 1756.95 1794.27 1850.93 1868.50 1874.62 1883.07 1884.58 1885.40 1889.35 1894.80 1916.61 1923.22 1938.69 1985.54 2012.86 2058.88 2076.20 2101.28 2115.32 2136.73 2170.18 2207.18 2250.67 2258.64 2281.40 2301.35 2318.70 2327.25 2334.02 2342.94 2349.38 2355.47 2363.58 2393.39 2402.14 2405.69 2434.21 2488.21 2508.78 2566.19 2585.93 2592.33 2597.90 2606.25 2620.52 2784.76 2802.60 4618.39 4702.99 4706.47 4726.18 4733.60 4734.78 4816.26 4820.95 4825.78 4826.53 4848.58 4851.05 4853.26 4857.50 4861.20 4869.85 4872.80 4886.01 4889.22 4893.48 4900.82 4936.23 4974.20 5130.50 5546.98 5548.20 0.495711 0.520976 0.521920 0.432413 -1236.402493 -1236.377227 -1236.376283 -1236.465791 3.002113D-04 MUNgauss RevisionA2.1 retrievium 09-Feb-2021 DUDE Cc1ccc(cc1)NC(=O)C[NH+](C)[C@@H](c2ccccc2)C(=O)Nc3ccccc3 C30538298 RHF 6-31G(d) (6D,10F) C1 388.202502 |X|Y|Z| 122.523612 49.042871 30.317099 56.688431 25 6 7 22 3 |36.858105| |12.612678|36.858105| |7.547325|13.699324|36.858105| |5.003997|7.857622|13.770535|36.858105| |4.426106|6.818664|7.975335|13.747629|36.858105| |5.008342|7.890807|6.920544|7.942627|13.763650|36.858105| |7.536718|13.718537|8.004572|6.879824|7.946289|13.767010|36.858105| |3.322993|4.511563|5.124532|7.723107|13.322304|7.911515|5.169166|53.358707| |2.863255|3.687322|4.325615|6.255139|7.699860|5.257771|3.948111|19.431630|36.858105| |2.861612|3.625357|4.449646|6.372083|6.514494|4.544666|3.667789|11.420595|15.860826|73.516695| |2.356490|2.895273|3.236022|4.212580|5.009678|3.995791|3.132862|10.732050|12.429258|14.396729|36.858105| |2.107768|2.516976|2.824169|3.532741|3.889052|3.202750|2.645879|7.118373|7.817980|13.045437|12.808269|53.358707| |2.183231|2.609133|3.004854|3.797236|3.981970|3.190868|2.676074|6.993375|7.999043|16.293957|9.412669|25.473070|0.500000| |2.055075|2.428496|2.662849|3.231773|3.590829|3.086858|2.577635|6.217633|6.155429|10.736238|7.770419|17.305794|0.262288|36.858105| |1.828708|2.131286|2.358854|2.842042|3.057475|2.615980|2.224560|5.278453|5.039920|8.556429|7.483431|17.138668|0.257843|7.651558|36.858105| |1.739095|2.014007|2.186227|2.594028|2.842989|2.502848|2.130137|4.871704|4.410529|7.248896|6.525621|12.397023|0.182716|7.394894|17.619863|0.500000| |1.803607|2.096015|2.327570|2.795835|2.973098|2.540739|2.174736|5.079549|4.607359|7.645508|6.495855|10.214722|0.185131|4.950867|12.560439|0.247314|36.858105| |1.699768|1.959558|2.131114|2.513259|2.718198|2.395899|2.058604|4.584939|3.868516|6.195067|5.331866|7.322603|0.129754|4.043089|7.586354|0.205343|13.711313|36.858105| |1.639892|1.872893|2.031238|2.359628|2.513010|2.237774|1.952859|4.101591|3.316532|5.374991|4.177992|5.480870|0.103121|3.170426|5.024525|0.133638|7.913468|13.740536|36.858105| |1.670043|1.901251|2.091106|2.423377|2.508476|2.205191|1.947551|4.003080|3.241696|5.408539|3.839896|5.074354|0.100814|2.918504|4.437264|0.111181|6.860633|7.943691|13.760937|36.858105| |1.768115|2.024963|2.275618|2.673451|2.704220|2.316205|2.044772|4.318839|3.639587|6.293020|4.211222|5.792626|0.121059|3.208626|5.012953|0.116555|7.925162|6.876037|7.931829|13.725020|36.858105| |1.842236|2.133557|2.416070|2.899267|2.960225|2.489408|2.164606|4.884218|4.399553|7.722801|5.383257|8.096275|0.172044|4.115955|7.523873|0.155232|13.670007|7.919073|6.858756|7.929803|13.773745|36.858105| |1.706117|1.955841|2.174924|2.562628|2.654957|2.290597|2.001208|4.331807|4.039386|7.502542|5.018688|10.656979|0.216626|6.367180|12.356585|0.243061|7.591227|5.231290|3.990007|3.781721|4.437536|6.382074|36.858105| |1.791826|2.055560|2.320716|2.740696|2.768397|2.354897|2.072488|4.427553|4.208077|8.409670|4.777766|9.977641|0.246073|6.240581|8.067395|0.167520|5.849652|4.182866|3.402584|3.377086|4.089219|5.714437|15.844606|73.516695| |1.525416|1.723405|1.889114|2.176878|2.253913|1.992621|1.764979|3.594091|3.184995|5.796819|3.871525|7.156303|0.140512|4.751031|7.865763|0.202082|6.111404|4.862722|3.829862|3.566605|3.979511|5.181339|14.274662|14.897035|53.358707| |1.406001|1.567357|1.713080|1.938432|1.975048|1.764632|1.589757|3.059811|2.646974|4.906902|3.044894|5.295670|0.108588|3.699638|4.998072|0.131437|4.331259|3.673927|3.126325|3.016889|3.349361|4.054406|7.654472|11.446782|18.183835|36.858105| |1.285572|1.421514|1.538041|1.720874|1.759174|1.594006|1.445618|2.701362|2.277915|4.147112|2.612377|4.310905|0.086644|3.034617|4.002198|0.110735|3.701783|3.376560|2.971902|2.838183|3.022648|3.454197|5.192549|7.864941|10.839882|13.715965|36.858105| |1.196082|1.310120|1.412949|1.561770|1.582842|1.444774|1.324740|2.389921|1.987686|3.645217|2.218020|3.568400|0.072799|2.553742|3.133763|0.086247|2.951425|2.731436|2.487131|2.423664|2.573015|2.848718|3.911781|6.376328|7.060283|7.935821|13.785618|36.858105| |1.199889|1.309328|1.417349|1.559112|1.563606|1.424396|1.314095|2.336267|1.946206|3.629498|2.123390|3.423759|0.071382|2.477303|2.897322|0.078075|2.699305|2.446785|2.238977|2.223111|2.407000|2.673188|3.680525|6.380081|6.176663|6.867081|7.942102|13.748797|36.858105| |1.296113|1.420802|1.550958|1.715734|1.709865|1.542649|1.419828|2.557778|2.162675|4.108075|2.338627|3.862335|0.082300|2.803743|3.219758|0.084521|2.920152|2.556370|2.305442|2.308247|2.564964|2.927207|4.319013|7.907230|6.965809|7.974691|6.907134|7.970244|13.770781|36.858105| |1.413561|1.567677|1.722932|1.935862|1.940581|1.729907|1.573149|2.953766|2.555669|4.878077|2.817861|4.865870|0.104315|3.486478|4.186032|0.107109|3.638802|3.058828|2.673027|2.655545|3.008147|3.596005|6.281786|11.523823|10.472939|13.735686|7.912721|6.849623|7.893070|13.735807|36.858105| |17.573283|8.842668|6.993817|4.674085|3.962880|4.218026|5.692170|4.171248|2.692963|4.835761|2.236498|2.743090|0.058386|1.941450|1.767744|0.046461|1.762247|1.659858|1.615957|1.662905|1.765882|1.822160|1.659592|3.105096|2.025211|1.377793|1.261993|1.177605|1.183403|1.277352|1.388382|0.500000| |17.584527|8.839258|5.604179|4.174710|3.958455|4.719833|7.154425|4.177998|2.626047|4.576373|2.212649|2.683747|0.056062|1.930052|1.726996|0.046023|1.708028|1.628728|1.577332|1.596491|1.670870|1.730855|1.603993|2.966643|1.966640|1.332211|1.225754|1.141459|1.140921|1.225381|1.332566|0.301747|0.500000| |17.540711|8.857488|6.397830|4.488546|3.979375|4.402107|6.133384|4.184358|2.720315|4.921882|2.248600|2.787286|0.059120|2.028106|1.774817|0.046959|1.730538|1.623169|1.556572|1.581249|1.679861|1.763039|1.673714|3.143433|2.040046|1.389047|1.268414|1.184339|1.193609|1.292507|1.405446|0.302179|0.302027|0.500000| |7.004500|8.917003|17.711370|8.983320|5.674740|4.976248|5.672047|5.657961|3.746022|7.118059|2.895038|3.547936|0.078083|2.453931|2.216023|0.056775|2.198289|2.004487|1.925414|2.006483|2.200903|2.319075|2.083985|3.989972|2.477148|1.669072|1.499790|1.387043|1.400171|1.534957|1.693981|0.207011|0.141852|0.174342|0.500000| |4.091568|5.620541|8.934186|17.786916|8.899538|5.647345|4.961032|9.559102|6.718456|13.682563|4.456104|5.238338|0.119809|3.405190|3.082479|0.076274|3.052418|2.672220|2.504735|2.618613|2.973162|3.260759|2.813889|5.455147|3.205890|2.095137|1.840948|1.666587|1.670551|1.853866|2.105934|0.110982|0.096313|0.105222|0.217233|0.500000| |4.088228|5.629012|4.974785|5.642622|8.904158|17.693310|8.930383|9.924404|4.942691|7.312603|4.037165|4.344026|0.085764|3.125564|2.629150|0.071268|2.539594|2.439682|2.265406|2.190039|2.261041|2.430774|2.269541|4.079713|2.708639|1.753453|1.593111|1.439754|1.410264|1.518383|1.702891|0.097327|0.112280|0.102516|0.107887|0.124000|0.500000| |6.972043|8.910077|5.668252|4.955695|5.661191|8.965375|17.717453|5.721624|3.328355|5.490169|2.767669|3.224549|0.065840|2.339167|2.027216|0.054578|1.981462|1.900611|1.810801|1.794112|1.861427|1.957300|1.830502|3.344425|2.224069|1.479576|1.355939|1.247479|1.235571|1.327205|1.461287|0.144866|0.216513|0.162175|0.124306|0.107662|0.216955|0.500000| |3.074965|4.046879|4.313053|5.812908|9.234533|7.404132|4.845969|26.027796|9.517912|10.851575|7.650229|6.646598|0.126191|4.304715|3.794987|0.100472|3.715983|3.504518|3.143258|2.990580|3.118175|3.462485|3.038574|5.357817|3.499157|2.179167|1.948498|1.719719|1.665125|1.803194|2.073864|0.078737|0.081159|0.078568|0.098960|0.146164|0.220695|0.114664|0.500000| |2.287112|2.790298|3.007682|3.786813|4.690673|4.007892|3.111409|9.734769|8.683725|10.715912|17.624227|12.318069|0.183358|7.493958|6.353590|0.177510|5.428733|4.967129|3.903939|3.450446|3.593049|4.358070|4.376428|7.208396|4.857109|2.836098|2.485637|2.118610|2.013404|2.188267|2.601588|0.059675|0.060499|0.060723|0.074128|0.106191|0.118530|0.077872|0.220234|0.500000| |2.269974|2.763215|3.093361|3.974394|4.588622|3.703010|2.960064|9.270670|8.902053|11.517689|17.669841|12.308026|0.209516|5.664681|7.275124|0.172369|7.934256|6.638086|5.221030|4.781148|5.202375|6.570428|4.805989|7.915606|5.193166|3.003802|2.616310|2.216214|2.102177|2.289820|2.740874|0.060628|0.059476|0.059530|0.077706|0.118152|0.103373|0.072997|0.193675|0.301222|0.500000| |1.953803|2.292735|2.456494|2.930666|3.333290|2.971310|2.477455|5.760745|5.243485|8.522042|7.001047|12.294201|0.181848|17.638070|6.928063|0.220772|4.677639|4.100804|3.182692|2.837498|3.007475|3.738803|5.448391|8.793221|6.061148|3.475017|2.954346|2.481594|2.364677|2.609848|3.180428|0.051091|0.051593|0.053412|0.062561|0.083682|0.086018|0.063415|0.116874|0.222139|0.147956|0.500000| |1.904981|2.211290|2.428072|2.878709|3.083907|2.683677|2.305951|5.067909|4.820192|9.032480|5.641449|12.281788|0.226918|17.701500|7.094566|0.187969|4.582670|3.711392|2.954888|2.757647|3.062342|3.926370|7.334821|13.430931|7.415254|4.293982|3.393197|2.843512|2.792642|3.236883|4.136983|0.050338|0.049638|0.052640|0.063307|0.085201|0.074680|0.058531|0.097069|0.147855|0.126479|0.297953|0.500000| |2.270761|2.719297|2.990872|3.668634|4.119813|3.506023|2.896914|7.046417|7.003189|12.660666|7.261812|12.331075|0.227544|17.675099|5.588540|0.147162|4.114667|3.449073|2.821931|2.653204|2.921335|3.629512|4.908816|9.194040|5.199317|3.144800|2.628036|2.272236|2.239723|2.535914|3.067089|0.058956|0.058807|0.062646|0.075686|0.106076|0.097650|0.072289|0.130126|0.195025|0.144398|0.298109|0.301565|0.500000| |1.648482|1.894895|2.031322|2.376335|2.613606|2.350094|2.014784|4.408028|3.650647|5.769008|5.098097|6.973278|0.118682|4.122755|7.036166|0.227843|8.883662|17.693416|8.932400|5.652512|4.951734|5.628444|4.845926|6.830205|6.363860|3.539513|3.318428|2.682272|2.380292|2.461234|2.922187|0.044420|0.044146|0.043862|0.052775|0.068989|0.067598|0.052136|0.095486|0.143030|0.164108|0.122737|0.104225|0.096502|0.500000| |1.555173|1.762031|1.884709|2.158296|2.312114|2.102758|1.848120|3.715001|2.916045|4.706066|3.590720|4.641362|0.086995|2.811384|4.101000|0.114482|5.638153|8.922668|17.733556|8.911270|5.641206|4.945885|3.353330|5.147701|4.502033|2.778044|2.713916|2.308471|2.068876|2.099147|2.387774|0.042542|0.041873|0.040971|0.049585|0.062702|0.059714|0.048087|0.080302|0.096953|0.120226|0.079984|0.072926|0.070283|0.215985|0.500000| |1.601637|1.804520|1.971739|2.246680|2.305684|2.055162|1.840068|3.586583|2.826279|4.745437|3.222013|4.213963|0.084531|2.512136|3.549171|0.091038|4.946767|5.649326|8.923378|17.732608|8.912368|5.645825|3.136721|5.096721|4.103346|2.643572|2.537820|2.219530|2.046309|2.102443|2.365103|0.044569|0.042708|0.042021|0.052886|0.066946|0.056621|0.047371|0.074633|0.081979|0.108158|0.068178|0.066335|0.064479|0.124316|0.214844|0.500000| |1.764074|2.003760|2.269337|2.632383|2.592124|2.221105|1.991958|4.010728|3.327478|5.917187|3.626205|4.982864|0.107570|2.857635|4.087798|0.096371|5.643172|4.955023|5.644090|8.904885|17.735723|8.943507|3.845536|6.618520|4.738424|3.068351|2.783261|2.433891|2.319227|2.478523|2.849653|0.049419|0.046131|0.046540|0.061873|0.082199|0.059509|0.050313|0.079309|0.086458|0.119631|0.073777|0.076694|0.073865|0.107527|0.124063|0.214835|0.500000| |1.898848|2.198928|2.531229|3.047829|3.025964|2.508492|2.197706|4.898874|4.543953|8.567030|5.160269|8.272301|0.197531|4.256075|6.942505|0.140110|8.860633|5.628566|4.944330|5.647177|8.944295|17.710771|6.869847|12.413180|7.114628|4.227511|3.461118|2.895784|2.797524|3.161254|3.945177|0.052305|0.049096|0.050790|0.068234|0.097735|0.067023|0.054830|0.093291|0.113795|0.161126|0.102881|0.115949|0.106030|0.123621|0.107400|0.124303|0.216442|0.500000| |1.481990|1.672906|1.817724|2.089294|2.189592|1.954855|1.727120|3.511077|3.053432|5.390334|3.809998|6.693083|0.125207|4.419873|7.698646|0.224927|6.424710|5.574039|4.264447|3.782467|4.016698|5.052318|9.568238|10.872897|26.028504|9.302143|7.693809|4.941403|4.088005|4.294395|5.739968|0.040115|0.039221|0.040292|0.048409|0.062136|0.054748|0.044642|0.071038|0.100187|0.106517|0.121535|0.133416|0.098823|0.154976|0.103259|0.088313|0.095379|0.131863|0.500000| |1.269339|1.405251|1.512473|1.693864|1.747653|1.591394|1.438310|2.700379|2.258299|4.036439|2.635952|4.268807|0.083765|2.976330|4.060689|0.116523|3.858684|3.683886|3.237176|3.004569|3.096596|3.482944|4.872943|7.094707|10.018256|8.886423|17.689794|8.937899|5.649410|4.967535|5.629859|0.034574|0.033755|0.034661|0.040775|0.050029|0.044469|0.037580|0.054711|0.070533|0.074182|0.082432|0.090102|0.071202|0.102599|0.083140|0.074509|0.077833|0.093391|0.236824|0.500000| |1.127420|1.229493|1.318351|1.448845|1.471548|1.353279|1.245305|2.211874|1.817135|3.303503|2.023475|3.184950|0.064468|2.282354|2.770404|0.077351|2.662061|2.535088|2.349902|2.280358|2.371167|2.563819|3.295746|5.363308|5.737812|5.651211|8.954450|17.729434|8.902624|5.656000|4.940836|0.030858|0.029999|0.030982|0.035948|0.042702|0.037575|0.032717|0.044484|0.054183|0.056478|0.062417|0.069419|0.056865|0.069773|0.061594|0.058768|0.062484|0.071312|0.117090|0.216519|0.500000| |1.133111|1.228314|1.324727|1.445051|1.444243|1.323760|1.229636|2.137330|1.761459|3.282675|1.899141|3.006067|0.062733|2.186859|2.491196|0.067431|2.349624|2.159458|2.005911|2.001817|2.150184|2.344432|3.054713|5.367273|4.918347|4.950296|5.647694|8.906023|17.734857|8.912156|5.627457|0.031100|0.029976|0.031368|0.036480|0.042855|0.036384|0.032225|0.042355|0.050262|0.052275|0.058252|0.067726|0.055699|0.058513|0.051999|0.051825|0.058157|0.067987|0.092620|0.124226|0.214204|0.500000| |1.288615|1.405266|1.536006|1.686919|1.665915|1.505054|1.395209|2.462303|2.071511|3.978519|2.192362|3.576337|0.077230|2.620923|2.876179|0.075117|2.619892|2.296364|2.091965|2.114738|2.358783|2.666149|3.746378|7.167316|5.643521|5.672174|4.970463|5.659391|8.927205|17.726856|8.964579|0.035341|0.033763|0.035849|0.042487|0.050688|0.040951|0.036232|0.047941|0.056916|0.059333|0.067274|0.083778|0.067223|0.061323|0.053102|0.053956|0.064224|0.080973|0.098190|0.107784|0.124209|0.214860|0.500000| |1.514704|1.687733|1.871647|2.115449|2.103994|1.856211|1.685167|3.199357|2.813692|5.512060|3.044562|5.380350|0.119814|3.876237|4.408702|0.109065|3.726170|3.041487|2.641801|2.649128|3.064540|3.746782|6.825980|14.753462|9.487434|8.893019|5.634551|4.947873|5.638036|8.923155|17.820326|0.041286|0.039427|0.041948|0.051210|0.064522|0.050398|0.043216|0.061551|0.076857|0.080969|0.094664|0.131089|0.095657|0.080055|0.065040|0.065276|0.081174|0.118880|0.142863|0.123819|0.107454|0.124119|0.216613|0.500000| 1235.415704 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