Version2.4 2021-05-28T20:14:52Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 09-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)c2nnc(n2CCC(=O)[O-])SCC(=O)c3cc(n(c3C)CCC(C)C)C C13197065 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)c2nnc(n2CCC(=O)[O-])SCC(=O)c3cc(n(c3C)CCC(C)C)C C01[X(C25H31N4O3S1)] 186 C1 561 CC(CCn1c(C)cc(c1C)C(=O)CSc1nnc(n1CCC(=O)[O-])c1ccc(cc1)C)C CC(CCn1c(C)cc(c1C)C(=O)CSc1nnc(n1CCC(=O)[O-])c1ccc(cc1)C)C CC(C)CCn1c(C)cc(C(=O)CSc2nnc(n2CCC([O-])=O)c3ccc(C)cc3)c1C InChIKey=RAGGCEAHHLPTGF-UHFFFAOYSA-M InChI=1S/C25H32N4O3S/c1-16(2)10-12-28-18(4)14-21(19(28)5)22(30)15-33-25-27-26-24(29(25)13-11-23(31)32)20-8-6-17(3)7-9-20/h6-9,14,16H,10-13,15H2,1-5H3,(H,31,32)/p-1 InChI=1/C25H32N4O3S/c1-16(2)10-12-28-18(4)14-21(19(28)5)22(30)15-33-25-27-26-24(29(25)13-11-23(31)32)20-8-6-17(3)7-9-20/h6-9,14,16H,10-13,15H2,1-5H3,(H,31,32)/p-1/fC25H31N4O3S/q-1 Cc1ccc(cc1)c2nnc(n2CCC(=O)[O-])SCC(=O)c3cc(n(c3C)CCC(C)C)C C01[X(C25H31N4O3S1)] 186 C01 561 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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| 7.8745 12.4389 21.9154 29.1994 30.9937 33.9180 35.5694 46.2379 55.6597 59.3020 67.1934 71.3521 86.6442 90.4983 94.7615 120.7851 134.3759 139.9611 152.5255 155.6045 161.0710 165.9946 194.2585 203.6568 216.9226 218.6617 243.6011 256.0224 271.4131 295.0734 303.6678 309.7022 333.7715 337.9820 346.1805 355.8656 371.0581 376.0371 409.3237 422.6810 435.0453 448.2150 462.2937 465.1704 491.4939 493.7241 539.3017 566.2349 589.7691 599.4396 610.2404 627.6578 674.5018 682.6069 703.2669 710.4907 739.2732 755.0350 770.9201 781.0183 784.5750 799.2635 801.3445 819.5300 834.8642 872.5497 879.1178 899.5880 902.4962 915.0858 929.9590 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3262.6899 3266.8958 3268.2455 3273.4562 3275.4161 3292.2548 3314.3536 3315.3382 3335.5361 3367.4815 3371.4600 3379.6343 3407.4582 3408.7222 3428.2394 6.4582 4.2344 4.4976 3.7505 1.9867 1.8589 3.3232 4.2723 4.7745 4.2369 7.7146 6.7758 4.4060 4.6770 3.4102 4.4808 2.9174 3.0729 2.5980 2.4954 1.4363 2.8317 5.0317 1.1940 3.2006 6.9817 1.0773 4.8738 1.1797 4.4313 4.3558 3.3808 5.6127 2.7299 3.6534 2.8603 3.6237 2.9002 5.3708 2.5695 3.9704 4.6384 3.4176 3.2458 3.1408 2.3308 11.4220 3.7178 2.9862 2.6641 3.8597 4.2587 5.0150 3.7226 6.6338 3.9455 4.7617 3.5635 5.1782 5.2581 4.4005 4.3230 3.2749 1.4269 5.0253 5.1796 2.6011 3.5739 2.8797 3.1651 1.3305 1.4642 1.2455 3.4341 1.1920 2.0747 1.7361 1.5089 2.1643 6.5367 1.9941 1.6531 1.6224 1.3543 2.7749 3.0085 3.4463 1.4477 2.4338 1.4957 1.4507 1.5304 1.4951 2.9004 2.2484 2.1190 4.4614 2.3720 1.9221 1.1122 1.7960 2.1191 2.9751 2.7148 1.8503 1.3220 2.7025 1.5871 1.3496 3.0408 1.4170 1.2739 1.3528 2.1217 1.3733 1.3870 2.0859 2.4034 1.5742 2.2192 4.6640 2.4167 3.6626 1.2991 1.3408 1.2749 1.4934 1.3355 1.9447 1.6991 2.3627 1.1041 1.0720 1.1597 1.0845 1.1077 1.0462 1.0673 1.1072 1.1066 1.1099 1.0608 1.0560 1.0489 1.2044 2.4382 2.3373 1.8253 4.1990 5.3386 5.5181 6.1355 5.3807 11.0695 12.2035 1.0843 1.0388 1.0376 1.0406 1.0708 1.0459 1.0404 1.0600 1.1020 1.1020 1.0999 1.1004 1.1025 1.0785 1.0735 1.1027 1.0994 1.0603 1.0983 1.0901 1.1005 1.0983 1.1007 1.1049 1.0906 1.0916 1.0948 1.0939 1.0940 1.0950 1.0978 0.0002 0.0004 0.0013 0.0019 0.0011 0.0013 0.0025 0.0054 0.0087 0.0088 0.0205 0.0203 0.0195 0.0226 0.0180 0.0385 0.0310 0.0355 0.0356 0.0356 0.0220 0.0460 0.1119 0.0292 0.0887 0.1967 0.0377 0.1882 0.0512 0.2273 0.2367 0.1911 0.3684 0.1837 0.2580 0.2134 0.2940 0.2416 0.5302 0.2705 0.4427 0.5490 0.4303 0.4138 0.4470 0.3348 1.9573 0.7023 0.6120 0.5640 0.8468 0.9885 1.3443 1.0220 1.9331 1.1735 1.5333 1.1969 1.8132 1.8897 1.5960 1.6271 1.2390 0.5646 2.0637 2.3234 1.1844 1.7040 1.3819 1.5616 0.6779 0.7561 0.6999 2.0468 0.7162 1.2735 1.0724 0.9724 1.4041 4.4214 1.3863 1.1530 1.1434 0.9669 2.0167 2.2148 2.5770 1.0983 1.8654 1.1937 1.1671 1.2414 1.2200 2.3885 1.9473 1.9260 4.0868 2.2466 1.8380 1.0983 1.7905 2.1159 2.9731 2.7276 1.8790 1.3623 2.8662 1.7318 1.4900 3.4445 1.6857 1.5295 1.6550 2.6217 1.7636 1.8358 2.7650 3.2201 2.1291 3.0372 6.4300 3.3346 5.1872 1.8613 1.9250 1.8350 2.1528 1.9459 2.8464 2.4874 3.4990 1.6620 1.6716 1.8166 1.7022 1.7399 1.6438 1.6882 1.7539 1.7575 1.7704 1.7017 1.6976 1.6991 1.9695 3.9924 3.8621 3.1036 7.2163 9.2867 10.2812 11.4464 10.5621 23.7690 27.5767 6.4145 6.2381 6.2358 6.2541 6.4412 6.2995 6.2743 6.4421 6.8030 6.8072 6.8158 6.8315 6.8690 6.7278 6.7047 6.9118 6.8953 6.6671 6.9121 6.8825 6.9560 7.0140 7.1237 7.1556 7.1488 7.2930 7.3320 7.3613 7.4840 7.4960 7.6017 0.6630 0.6607 0.1464 0.3943 0.4639 0.3677 0.8421 0.6297 6.6858 0.2278 9.3588 6.1988 1.9312 5.1511 12.0421 1.7378 0.8528 1.0779 1.3798 5.6918 2.6301 0.1927 5.0797 0.4968 1.6952 15.8273 0.0115 2.2679 0.3481 3.0993 1.9508 4.2957 0.1901 1.8251 1.8743 3.3193 1.8139 2.0395 1.5653 2.7965 7.4897 2.6525 3.1717 0.0764 5.5725 2.7006 10.5743 2.2144 2.5194 1.2991 9.7383 3.2617 3.6916 33.5591 0.3858 2.2451 27.3721 7.1673 76.2749 14.3755 1.6825 8.1961 4.6832 18.1567 23.4664 3.7938 23.4570 1.9650 17.3409 25.8211 21.5189 23.5055 7.8945 67.4851 0.9187 5.2389 10.1301 0.0174 37.4922 16.6399 45.8092 0.5193 0.2366 1.2830 4.3765 2.8978 6.9761 8.3026 24.8419 5.1170 0.3214 2.1124 1.7503 3.1047 1.9106 3.3652 2.5082 55.0011 139.4190 0.1452 22.8821 4.4257 2.2706 9.1885 97.8756 3.4068 0.7991 39.3559 0.7671 8.2924 10.7213 6.4028 13.0382 39.5598 18.0818 15.0207 131.4387 9.3716 6.5662 5.0819 250.1695 82.7924 2.7303 9.9071 17.7814 9.1055 49.1327 3.0650 36.1793 4.9732 209.6343 15.4528 3.5879 4.9162 1.1448 2.9232 3.3152 6.2039 4.5864 4.7095 2.0685 1.1815 11.2333 12.0043 12.0799 77.4743 145.5948 74.0072 236.3422 16.4755 8.8486 34.5488 15.9342 770.8011 217.6302 23.1238 74.4084 47.6318 31.6374 25.0221 76.8968 10.5719 10.4632 11.6664 43.4848 61.7160 12.0681 1.5415 18.1969 10.1158 53.5047 143.2590 28.2347 81.8377 57.8850 27.7046 24.7401 28.7319 0.8156 42.3924 24.6650 0.2841 1.2107 19.2466 36.3329 2.8952 0.4985 0.3759 0.6542 1.1378 0.4276 0.5460 0.6799 1.8729 3.1234 1.5385 1.2263 1.0821 0.7628 1.2884 0.5119 0.4896 0.8195 1.3840 1.3722 0.8154 0.2663 0.0792 0.7190 0.1624 0.3562 0.2410 0.0205 0.7488 0.1553 0.9996 0.4049 1.4788 0.9838 1.3681 1.6594 1.4753 1.5128 0.4405 4.2422 0.9097 5.8852 0.7613 1.6672 0.3902 1.3539 1.1670 1.5682 1.3044 1.7052 1.4587 0.6190 7.8838 8.1311 1.9797 9.8713 3.8243 1.8199 2.5225 4.8761 1.1909 0.1533 4.4741 3.6235 3.8069 3.9880 25.7222 20.4156 50.7101 3.6473 7.4557 1.4864 2.1710 1.6648 11.3094 1.1978 0.3471 4.3558 8.2633 19.0556 4.9335 1.8573 8.7182 10.9746 2.4132 0.4673 4.7007 3.9067 5.0585 21.5324 5.5802 1.8004 1.1038 0.6353 28.1473 15.9482 7.4092 20.8418 1.8645 2.4632 14.2306 7.9878 5.2709 11.0007 0.1460 1.0574 27.1718 2.0490 8.8663 3.3568 5.1327 8.0907 5.5397 6.4046 37.6105 3.0091 6.5686 18.5219 6.0413 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1.00783 1.00783 1.00783 1.00783 6643.5957 52402.0948 57350.4915 0.99999 -0.00419 -0.00329 0.00418 0.99998 -0.00533 0.00331 0.00531 0.99998 1 0.01304 0.00165 0.00151 0.27165 0.03444 0.03147 11.33 17.90 31.53 42.01 44.59 48.80 51.18 66.53 80.08 85.32 96.68 102.66 124.66 130.21 136.34 173.78 193.34 201.37 219.45 223.88 231.75 238.83 279.49 293.02 312.10 314.61 350.49 368.36 390.50 424.54 436.91 445.59 480.22 486.28 498.08 512.01 533.87 541.03 588.93 608.14 625.93 644.88 665.14 669.28 707.15 710.36 775.93 814.69 848.55 862.46 878.00 903.06 970.46 982.12 1011.84 1022.24 1063.65 1086.33 1109.18 1123.71 1128.83 1149.96 1152.96 1179.12 1201.18 1255.40 1264.85 1294.31 1298.49 1316.60 1338.00 1346.98 1405.13 1447.11 1452.89 1468.54 1473.22 1504.78 1509.76 1541.60 1562.87 1565.41 1573.62 1583.84 1597.96 1608.26 1620.86 1632.64 1641.04 1674.55 1681.31 1688.19 1693.21 1700.98 1744.44 1787.01 1793.99 1824.19 1832.94 1862.71 1871.52 1872.99 1873.79 1878.84 1888.93 1902.80 1930.34 1958.04 1969.54 1994.95 2044.42 2053.86 2073.24 2083.61 2124.19 2156.43 2158.10 2169.63 2179.89 2192.84 2200.86 2201.80 2230.69 2243.67 2245.98 2248.79 2250.52 2262.55 2267.72 2267.97 2281.05 2299.72 2340.62 2346.04 2348.32 2349.25 2349.50 2357.43 2359.13 2362.19 2367.34 2374.09 2376.58 2385.74 2396.98 2398.57 2409.48 2444.22 2457.25 2472.22 2558.54 2560.22 2626.19 2746.69 2817.71 4558.99 4593.28 4595.03 4595.23 4597.33 4600.31 4603.11 4620.91 4657.27 4658.70 4666.13 4670.35 4678.73 4681.68 4684.40 4692.94 4694.28 4700.33 4702.28 4709.77 4712.59 4736.82 4768.62 4770.03 4799.09 4845.05 4850.78 4862.54 4902.57 4904.39 4932.47 0.566734 0.599267 0.600211 0.495592 -1804.126527 -1804.093994 -1804.093050 -1804.197669 3.508938D-04 MUNgauss RevisionA2.1 retrievium 28-May-2021 DUDE Cc1ccc(cc1)c2nnc(n2CCC(=O)[O-])SCC(=O)c3cc(n(c3C)CCC(C)C)C C13197065 RHF 6-31G(d) (6D,10F) C1 467.211688 |X|Y|Z| 169.717910 57.844104 25.799260 63.270026 19 6 7 16 14 4 1 |36.858105| |12.609038|36.858105| |7.546855|13.655963|36.858105| |5.019530|7.897709|13.838275|36.858105| |4.403796|6.767268|7.885243|13.612763|36.858105| |4.995396|7.862877|6.885092|7.958937|13.721546|36.858105| |7.541914|13.782366|8.008198|6.927452|7.910274|13.694106|36.858105| |3.281209|4.434852|5.094466|7.756334|12.842654|7.483150|5.008799|36.858105| |2.919721|3.771072|4.535606|6.718635|7.845299|5.172304|3.955738|14.755049|53.358707| |2.438868|3.015351|3.445833|4.583273|5.334603|4.073488|3.209699|8.871739|19.096393|53.358707| |2.406608|2.973859|3.254398|4.205982|5.299378|4.317462|3.300215|8.913524|12.202149|20.151848|36.858105| |2.806155|3.598262|3.853431|5.100800|7.427502|6.032897|4.202863|13.923512|11.910904|11.883394|14.075513|53.358707| |2.741161|3.432357|3.435521|4.178226|5.897022|5.932292|4.219701|7.399990|7.173922|7.203005|7.547143|17.611907|36.858105| |2.588893|3.154896|3.052544|3.546521|4.792625|5.258345|3.940160|5.496346|5.822676|5.879593|5.665641|10.305421|12.462453|36.858105| |2.615288|3.090539|2.849459|3.131398|4.038514|4.856421|3.951925|4.123781|4.503403|4.411207|3.936162|6.766381|7.418739|12.212712|36.858105| |3.004770|3.577495|3.178742|3.413165|4.417798|5.771037|4.795981|4.176924|4.461729|4.207598|3.646107|6.454379|6.828586|8.070794|15.352646|73.516695| |2.289771|2.621583|2.429630|2.626914|3.238961|3.754157|3.227009|3.336388|3.826937|3.830641|3.350500|5.356455|5.297579|8.056614|15.563268|15.172231|73.516695| |1.998891|2.372193|2.517633|3.041975|3.625375|3.238478|2.621632|4.946061|6.738777|9.529229|10.797210|9.436774|5.941735|5.046187|3.667480|5.796657|5.878594|388.023441| |1.812955|2.116791|2.295445|2.749467|3.077075|2.689531|2.257739|4.045470|6.196439|9.165981|7.121956|6.485946|3.933775|3.508564|2.753659|4.488849|4.527899|74.789849|36.858105| |1.591332|1.820935|1.945110|2.260720|2.490361|2.249052|1.935622|3.086483|4.549049|5.967626|4.673253|4.860721|3.199649|2.967663|2.434022|3.955146|4.119232|49.273193|12.563289|36.858105| |1.538741|1.751411|1.843617|2.118404|2.356579|2.176740|1.879495|2.868087|4.064625|5.123582|4.227115|4.619689|3.206496|3.022954|2.513196|4.038202|4.317331|47.209788|8.031603|15.881134|73.516695| |1.470431|1.663169|1.786256|2.050988|2.199045|1.984176|1.740117|2.651374|3.987447|5.018749|3.663531|3.973631|2.609963|2.448642|2.064343|3.403446|3.515904|32.877045|7.535625|12.913348|14.358728|36.858105| |1.487335|1.680564|1.829109|2.103955|2.209331|1.964428|1.734024|2.650247|4.121510|5.129399|3.503650|3.819584|2.445222|2.282359|1.931754|3.225429|3.264843|28.304341|6.377229|7.330592|9.192366|13.287456|36.858105| |1.353091|1.509678|1.634084|1.847847|1.917768|1.727265|1.548005|2.237920|3.423621|4.069613|2.807106|3.186373|2.086329|1.971926|1.705451|2.861941|2.909420|22.261665|4.423350|5.178721|7.360302|8.466011|14.118252|36.858105| |1.274913|1.415686|1.514790|1.699701|1.779864|1.626919|1.461614|2.061313|3.075702|3.628243|2.594634|2.985807|2.003779|1.911741|1.668770|2.785455|2.876201|21.390777|4.054423|5.223847|7.951777|8.609292|8.626614|13.768360|53.358707| |1.330557|1.486647|1.582936|1.787387|1.901786|1.743682|1.551090|2.231537|3.292355|3.966610|2.923269|3.315007|2.241355|2.136402|1.846741|3.052707|3.187928|25.585701|4.955025|7.482171|11.452053|13.869195|8.454396|8.490035|19.036463|36.858105| |1.254104|1.392434|1.465109|1.637728|1.752599|1.634115|1.461256|2.028002|2.917310|3.442895|2.613720|3.046220|2.124452|2.050606|1.801923|2.965731|3.152153|23.278695|4.039746|5.912636|11.124375|7.309201|5.104367|5.185863|10.363520|12.703587|36.858105| |1.162507|1.278241|1.359587|1.506385|1.567498|1.447988|1.315380|1.781698|2.626817|3.017270|2.168469|2.561103|1.745467|1.681211|1.492836|2.501590|2.592654|17.542088|3.106938|3.812475|6.218194|5.264094|5.278991|7.577606|17.856984|7.616551|6.354960|36.858105| |1.120330|1.227339|1.298778|1.431337|1.491162|1.387300|1.264763|1.683185|2.470856|2.809343|2.021403|2.410816|1.651825|1.618589|1.443631|2.409278|2.526646|16.194716|2.793138|3.335099|5.536108|4.321902|4.343493|5.704276|10.422337|5.682250|5.183000|12.434310|36.858105| |1.028739|1.118003|1.178400|1.286210|1.332091|1.247847|1.147989|1.482973|2.159955|2.412214|1.738758|2.110047|1.459220|1.434329|1.296533|2.175271|2.277863|13.713635|2.283583|2.645570|4.492872|3.230775|3.260784|4.061073|6.710666|3.999112|3.923540|7.390555|12.399494|36.858105| |0.996810|1.079594|1.133795|1.231770|1.275176|1.200611|1.108656|1.410531|2.048198|2.266658|1.632956|1.998060|1.385988|1.377551|1.250750|2.095551|2.208052|12.737696|2.083448|2.359207|4.026698|2.785890|2.825204|3.361049|5.194149|3.276206|3.224816|4.877824|7.574079|12.436038|36.858105| |0.985618|1.068294|1.120271|1.218451|1.265658|1.193162|1.099843|1.403239|2.022146|2.250953|1.643591|2.009924|1.406670|1.382651|1.259704|2.114223|2.222481|13.092180|2.132755|2.495724|4.363763|2.957420|2.862400|3.410244|5.768182|3.702960|3.961647|6.071213|7.456128|12.426009|7.573643|36.858105| |1.298657|1.437258|1.561928|1.748958|1.783174|1.606096|1.457017|2.041660|3.136359|3.604011|2.440081|2.837779|1.858659|1.761372|1.542303|2.612850|2.629993|18.464846|3.446804|3.731340|5.569698|5.117531|7.407687|12.720315|10.235107|5.183790|3.798183|6.280204|5.195825|4.041895|3.401921|3.272067|36.858105| |17.526293|8.831360|6.690092|4.593650|3.950058|4.287908|5.884650|3.037221|3.729154|3.149425|2.279105|3.574831|2.566721|2.382176|2.404695|4.899766|3.763820|13.594786|1.745948|1.540409|2.649380|1.428798|1.446849|1.320680|1.694867|1.296746|1.223431|1.137916|1.092414|1.005571|0.971709|0.965499|1.270944|0.500000| |17.575722|8.841024|5.565590|4.172156|3.945166|4.736725|7.236926|3.023092|3.624275|3.092064|2.281137|3.631460|2.685649|2.593187|2.702215|5.600572|4.233140|13.706912|1.732280|1.532975|2.656062|1.412554|1.418433|1.293662|1.669768|1.284139|1.218538|1.122072|1.084517|0.997890|0.968880|0.959028|1.238069|0.301686|0.500000| |17.526796|8.830507|6.716736|4.598151|3.946032|4.277913|5.861320|3.038730|3.790507|3.174681|2.267613|3.525310|2.490487|2.386676|2.383450|4.747647|3.764855|13.452244|1.742422|1.533551|2.624922|1.428700|1.454890|1.329101|1.699262|1.295563|1.217832|1.141283|1.104127|1.015784|0.987582|0.970231|1.283791|0.302225|0.301576|0.500000| |6.998533|8.884040|17.676758|8.971833|5.626118|4.955188|5.669963|4.160046|5.376045|4.209023|2.870550|4.438422|2.912398|2.614269|2.454277|4.798136|3.797468|16.184552|2.128601|1.822709|3.060763|1.697152|1.754134|1.580522|1.987812|1.512781|1.397588|1.317312|1.258210|1.146565|1.103724|1.088686|1.526778|0.189479|0.140303|0.190973|0.500000| |4.094864|5.630339|8.948810|17.756337|8.923692|5.665365|4.983281|7.286197|10.396943|6.842155|4.302235|6.593240|3.807047|3.216588|2.794508|5.273481|4.246824|21.974859|2.903701|2.362894|3.874204|2.167472|2.261517|1.978192|2.445480|1.875821|1.698091|1.584434|1.497666|1.341781|1.280414|1.264896|1.883402|0.108165|0.095995|0.108363|0.216552|0.500000| |4.111767|5.659308|4.963335|5.619310|8.789030|17.753768|9.040192|6.714947|6.360664|5.373801|4.436034|8.702240|7.318122|6.972702|6.663128|14.826252|8.456364|24.464359|2.749843|2.316931|4.045486|2.016498|1.965580|1.726240|2.234213|1.775846|1.679456|1.460995|1.403302|1.260675|1.213994|1.209850|1.591028|0.100072|0.114013|0.099709|0.107646|0.123568|0.500000| |6.957039|8.916874|5.664303|4.980019|5.655277|8.982322|17.710460|4.085722|4.506843|3.816564|2.932812|4.987772|3.881557|3.803893|4.089447|9.161158|6.013742|17.221569|2.078284|1.811031|3.159387|1.629665|1.612578|1.449206|1.877184|1.465375|1.392986|1.248592|1.205182|1.098473|1.063833|1.056480|1.363740|0.151948|0.221005|0.150986|0.124135|0.108035|0.222054|0.500000| |3.085888|3.930845|3.820742|4.552831|6.551543|7.239291|5.028315|6.962352|6.577113|6.139688|5.742309|12.499996|17.726965|8.878870|7.329374|14.624546|8.981488|32.441595|3.311587|2.760862|4.908043|2.316417|2.199876|1.904373|2.487600|2.018252|1.920155|1.608962|1.522556|1.357411|1.291132|1.312031|1.720006|0.080419|0.084382|0.076001|0.088258|0.110735|0.257435|0.128257|0.500000| |2.429133|2.949875|2.978079|3.546711|4.616394|4.537018|3.488233|5.734644|6.197220|6.671777|7.116575|12.567144|17.591651|8.789884|6.228780|10.036427|8.680424|48.216848|4.197376|3.484110|6.379826|2.773077|2.537905|2.159920|2.857242|2.383028|2.283648|1.822658|1.709489|1.506623|1.420552|1.462422|1.901411|0.064312|0.066227|0.061607|0.071979|0.092733|0.146481|0.090726|0.305027|0.500000| |2.263612|2.692649|2.646417|3.053552|3.916696|4.090957|3.230263|4.632360|5.292866|5.681957|5.544079|8.668460|8.769493|17.586641|8.720557|10.462181|13.574735|40.337050|3.801435|3.278415|6.075127|2.648970|2.416173|2.080329|2.774714|2.311217|2.238849|1.786253|1.725397|1.520105|1.459727|1.467900|1.834765|0.058408|0.062876|0.058734|0.064347|0.079220|0.139147|0.087053|0.175400|0.221105|0.500000| |2.756982|3.406838|3.297183|3.856851|5.310588|5.862335|4.293025|5.986116|6.324351|6.130902|5.564651|10.026040|8.881012|17.501938|8.894533|12.182876|11.759300|32.655632|3.404659|2.843233|5.027629|2.392329|2.272628|1.965683|2.566192|2.082312|1.975298|1.659349|1.609299|1.426355|1.378331|1.364507|1.771301|0.069187|0.076368|0.071376|0.077707|0.096109|0.214860|0.113489|0.198994|0.175459|0.303190|0.500000| |1.849177|2.161802|2.382892|2.875903|3.144238|2.689175|2.271541|4.127385|6.554525|9.708386|6.796814|6.330043|3.745904|3.218111|2.578295|4.305983|4.193367|56.437320|17.611842|8.897189|11.045725|6.822535|6.530517|4.508084|5.410325|4.627757|3.719367|3.055479|2.684761|2.218743|2.007360|2.071488|3.591588|0.049857|0.048680|0.049324|0.061855|0.086247|0.074882|0.057578|0.090234|0.110648|0.093457|0.086971|0.500000| |1.831366|2.139723|2.331131|2.797680|3.110094|2.701777|2.272218|4.086601|6.509984|9.697262|6.752289|6.258994|3.711191|3.436784|2.688419|4.372621|4.437657|56.478912|17.619858|8.888362|10.975995|6.875889|6.591367|4.542275|5.446270|4.657675|3.731402|3.082247|2.851215|2.318775|2.146937|2.125545|3.606538|0.048650|0.048495|0.049316|0.060161|0.082531|0.076220|0.057933|0.087295|0.105033|0.102939|0.096152|0.304956|0.500000| |1.595771|1.816800|2.002835|2.332553|2.431888|2.122925|1.864264|2.956651|4.760272|6.032387|3.899249|4.174132|2.591978|2.391344|2.003996|3.365019|3.349517|29.578559|6.815748|6.403495|8.136236|8.478356|17.784348|8.849475|7.994923|5.788144|4.018314|4.144824|3.586826|2.823684|2.517344|2.490407|6.511368|0.043056|0.041996|0.043438|0.053396|0.070672|0.058415|0.047722|0.064813|0.073676|0.069414|0.066877|0.209181|0.210398|0.500000| |1.196359|1.321766|1.384978|1.538152|1.642554|1.541806|1.386419|1.882424|2.699799|3.143063|2.375758|2.806229|1.968336|1.931158|1.711032|2.810725|3.018813|20.684726|3.487281|4.762117|8.901524|5.724766|4.411511|4.675481|9.206871|8.856778|17.542863|6.504512|6.024218|4.507738|3.716749|4.623293|3.599559|0.032359|0.032370|0.032379|0.036760|0.044153|0.044065|0.036857|0.049597|0.058173|0.058642|0.052029|0.088668|0.092822|0.099010|0.500000| |1.301098|1.450306|1.518686|1.702713|1.843790|1.727541|1.534728|2.146705|3.050075|3.625696|2.826138|3.287404|2.322111|2.247124|1.965106|3.206026|3.448981|26.318584|4.397972|6.747406|14.833702|6.939547|4.651671|4.374320|7.694662|8.997593|17.693994|4.706323|4.095424|3.251950|2.795334|3.297741|3.289889|0.035194|0.035213|0.034952|0.039989|0.048720|0.049731|0.040718|0.057761|0.070260|0.069069|0.059437|0.108858|0.109503|0.106016|0.301075|0.500000| |1.206968|1.333875|1.403149|1.560102|1.658308|1.548971|1.393958|1.900510|2.723358|3.171294|2.400661|2.836416|1.989736|1.903865|1.692758|2.810591|2.956803|20.936811|3.536195|4.859457|9.139918|5.809230|4.444144|4.670516|9.102630|8.883648|17.521957|6.229596|4.772535|3.845273|3.083503|4.082603|3.593679|0.032860|0.032575|0.032526|0.037325|0.044967|0.044080|0.036961|0.050499|0.059614|0.057162|0.050765|0.093915|0.089814|0.099852|0.301647|0.301612|0.500000| |1.131061|1.241083|1.313865|1.451163|1.514882|1.407747|1.280578|1.715556|2.501069|2.862479|2.087739|2.484534|1.713792|1.649418|1.474228|2.470437|2.569040|17.108585|2.951860|3.682835|6.257057|4.833355|4.496207|5.740794|12.584309|7.186486|7.250008|17.641392|8.789665|6.634143|4.431556|6.655217|4.780725|0.030814|0.030408|0.030753|0.035315|0.042193|0.039600|0.033880|0.043971|0.050111|0.048788|0.044867|0.080518|0.079484|0.100362|0.206008|0.143104|0.223592|0.500000| |1.141460|1.251115|1.335798|1.475369|1.520781|1.400678|1.278949|1.717422|2.543546|2.891062|2.053366|2.440743|1.656717|1.586441|1.414780|2.387901|2.447618|16.228905|2.853424|3.356960|5.430126|4.493055|4.851216|7.152538|12.565730|5.771881|4.828476|17.591572|8.834779|6.854235|4.586605|5.538000|7.129592|0.031129|0.030528|0.031189|0.036149|0.043311|0.039026|0.033670|0.042732|0.047857|0.046398|0.043621|0.079896|0.078848|0.110333|0.132890|0.106157|0.137424|0.305036|0.500000| |1.150841|1.262427|1.340998|1.480540|1.537147|1.423586|1.297389|1.737438|2.574314|2.925147|2.076201|2.467610|1.674109|1.643279|1.458790|2.436008|2.545424|16.361534|2.856122|3.311667|5.357409|4.306933|4.621117|6.195520|9.712257|5.225568|4.437489|8.913976|17.544509|8.856817|7.150036|5.475951|6.029072|0.031106|0.030874|0.031608|0.036138|0.043193|0.039858|0.034246|0.042834|0.047729|0.048503|0.045762|0.076327|0.083050|0.107818|0.136786|0.101910|0.111287|0.173995|0.210297|0.500000| |1.130542|1.240478|1.306176|1.440693|1.513613|1.415535|1.286354|1.713114|2.495956|2.850476|2.078632|2.478260|1.710765|1.691344|1.506847|2.497030|2.652968|16.957340|2.891652|3.531519|6.004982|4.462541|4.196076|5.076698|9.404581|5.980163|5.926114|8.855297|17.524946|8.823826|6.837351|6.841728|4.341082|0.030542|0.030494|0.030897|0.034985|0.041633|0.040022|0.034142|0.043567|0.049316|0.050542|0.046589|0.075424|0.081895|0.096271|0.214221|0.129914|0.142643|0.212621|0.173696|0.304667|0.500000| |1.017438|1.103643|1.167287|1.272012|1.308437|1.221748|1.127487|1.451800|2.123421|2.358859|1.686041|2.050271|1.411713|1.379104|1.248391|2.105980|2.183974|13.122903|2.190460|2.493911|4.188679|3.049449|3.181697|4.039163|6.346553|3.673779|3.487191|6.903450|8.902245|17.479312|8.932344|8.913966|4.299725|0.027691|0.027352|0.027945|0.031677|0.037006|0.034126|0.029915|0.036644|0.040402|0.040331|0.038159|0.060028|0.061765|0.077535|0.105939|0.081265|0.097014|0.167765|0.210167|0.211955|0.174021|0.500000| |1.001212|1.085180|1.135102|1.233363|1.284248|1.214407|1.119488|1.421863|2.053544|2.276592|1.653689|2.026049|1.413347|1.415370|1.285985|2.144070|2.282025|13.012889|2.107777|2.403543|4.156988|2.793270|2.759087|3.186998|4.986643|3.286752|3.332932|4.478694|6.842821|8.770768|17.527552|6.835114|3.103383|0.027053|0.027102|0.027526|0.030591|0.035459|0.034262|0.029912|0.036462|0.040272|0.041900|0.039299|0.055703|0.060372|0.068245|0.110054|0.081197|0.086902|0.116377|0.111726|0.175868|0.202381|0.173664|0.500000| |0.944239|1.018068|1.067018|1.153256|1.189941|1.124126|1.043206|1.306958|1.890213|2.074239|1.495727|1.845311|1.285694|1.278015|1.168609|1.964884|2.065633|11.582915|1.868034|2.091671|3.595837|2.425201|2.459793|2.879756|4.372570|2.807143|2.800292|4.027740|5.490547|8.764360|17.541871|6.936145|2.960128|0.025612|0.025521|0.026008|0.028924|0.033251|0.031544|0.027866|0.033439|0.036576|0.037477|0.035504|0.050309|0.053212|0.061756|0.088082|0.068473|0.075930|0.105502|0.109267|0.144066|0.139832|0.213478|0.301555|0.500000| |1.019548|1.104872|1.163727|1.265244|1.305692|1.225334|1.131755|1.444503|2.110528|2.331408|1.664298|2.032995|1.400486|1.392867|1.260541|2.113842|2.219364|12.835675|2.113967|2.355634|3.960738|2.790886|2.912031|3.477825|5.128543|3.191124|3.022240|4.588385|6.924375|8.753618|17.546378|5.489739|3.641665|0.027569|0.027475|0.028136|0.031517|0.036634|0.034314|0.030103|0.036236|0.039645|0.040883|0.038945|0.056674|0.061335|0.072941|0.094505|0.073572|0.079226|0.110866|0.122945|0.216108|0.168744|0.213459|0.301591|0.301520|0.500000| |0.991075|1.075204|1.123118|1.221991|1.276928|1.208884|1.112153|1.417554|2.031318|2.266464|1.670121|2.044372|1.439951|1.424529|1.298953|2.169497|2.303406|13.454203|2.169523|2.567221|4.571062|2.990411|2.808197|3.246775|5.550619|3.766701|4.253109|5.443021|6.797147|8.769551|6.790972|17.523362|3.011083|0.026917|0.026855|0.027063|0.030214|0.035089|0.034209|0.029746|0.037190|0.041681|0.042267|0.038954|0.057778|0.059944|0.067785|0.145760|0.099195|0.119387|0.169562|0.129950|0.140606|0.204162|0.173516|0.200528|0.168356|0.139015|0.500000| |0.996684|1.081282|1.135734|1.236920|1.283942|1.207857|1.112459|1.425731|2.054403|2.292263|1.676106|2.046128|1.431948|1.396293|1.271675|2.139633|2.236393|13.407157|2.191800|2.585984|4.530101|3.083241|2.962293|3.546608|6.136848|3.927164|4.259214|6.658025|6.682746|8.702552|5.481915|17.559511|3.365289|0.027188|0.026912|0.027194|0.030668|0.035726|0.033990|0.029648|0.037144|0.041563|0.041107|0.038109|0.059681|0.059890|0.071087|0.132953|0.096801|0.128814|0.229133|0.172825|0.137406|0.166469|0.213343|0.138991|0.141799|0.122314|0.301515|0.500000| |0.934549|1.008407|1.055416|1.141957|1.182018|1.117989|1.035808|1.300963|1.869165|2.061665|1.503792|1.854616|1.302329|1.282609|1.176426|1.980837|2.078718|11.849092|1.903084|2.185110|3.831204|2.534988|2.482011|2.906250|4.693060|3.061042|3.244989|4.615526|5.450189|8.780701|7.004326|17.544000|2.867065|0.025458|0.025285|0.025592|0.028562|0.032884|0.031453|0.027696|0.033910|0.037501|0.037677|0.035212|0.051578|0.052790|0.061184|0.102418|0.077543|0.093273|0.136910|0.124089|0.123109|0.140375|0.212146|0.171912|0.211552|0.142209|0.301660|0.302742|0.500000| |1.239823|1.365184|1.475044|1.639603|1.672645|1.519176|1.384875|1.897782|2.890596|3.280375|2.238086|2.634224|1.740706|1.671902|1.472908|2.489737|2.528016|16.911653|3.062773|3.323103|5.090737|4.399697|5.778189|8.808025|8.988375|4.635063|3.573345|6.307422|5.957013|4.648761|3.986226|3.536318|17.535670|0.033630|0.032930|0.034159|0.040083|0.048733|0.041906|0.036161|0.044810|0.049235|0.048493|0.046899|0.086300|0.090279|0.143291|0.098169|0.085808|0.093136|0.129890|0.197813|0.213564|0.132493|0.139409|0.098541|0.094578|0.123404|0.089367|0.097814|0.086260|0.500000| 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