Version2.1 2020-08-23T08:35:30Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 21-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)S(=O)(=O)N(Cc2ccco2)CC(=O)NCCNC(=O)C C22759161 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)S(=O)(=O)N(Cc2ccco2)CC(=O)NCCNC(=O)C C01[X(C18H23N3O5S1)] 144 C1 455 O=C(CN(S(=O)(=O)c1ccc(cc1)C)Cc1ccco1)NCCNC(=O)C O=C(CN(S(=O)(=O)c1ccc(cc1)C)Cc1ccco1)NCCNC(=O)C CC(=O)NCCNC(=O)CN(Cc1occc1)[S](=O)(=O)c2ccc(C)cc2 InChIKey=DOAXEBZYBJPPES-UHFFFAOYSA-N InChI=1S/C18H23N3O5S/c1-14-5-7-17(8-6-14)27(24,25)21(12-16-4-3-11-26-16)13-18(23)20-10-9-19-15(2)22/h3-8,11H,9-10,12-13H2,1-2H3,(H,19,22)(H,20,23) InChI=1/C18H23N3O5S/c1-14-5-7-17(8-6-14)27(24,25)21(12-16-4-3-11-26-16)13-18(23)20-10-9-19-15(2)22/h3-8,11H,9-10,12-13H2,1-2H3,(H,19,22)(H,20,23)/f/h19-20H Cc1ccc(cc1)S(=O)(=O)N(Cc2ccco2)CC(=O)NCCNC(=O)C C01[X(C18H23N3O5S1)] 144 C01 455 O=C(CN(S(=O)(=O)c1ccc(cc1)C)Cc1ccco1)NCCNC(=O)C O=C(CN([S@@]([O])(=O)[C]1[CH][CH][C]([CH][CH]1)C)CC1=[CH][CH]=CO1)NCCNC(=O)C C[C]1[CH][CH][C]([CH][CH]1)[S]([O])(=O)N(CC(=O)NCCNC(C)=O)Cc2occc2 InChIKey=DOAXEBZYBJPPES-UHFFFAOYSA-N InChI=1S/C18H23N3O5S/c1-14-5-7-17(8-6-14)27(24,25)21(12-16-4-3-11-26-16)13-18(23)20-10-9-19-15(2)22/h3-8,11H,9-10,12-13H2,1-2H3,(H,19,22)(H,20,23) InChI=1/C18H23N3O5S/c1-14-5-7-17(8-6-14)27(24,25)21(12-16-4-3-11-26-16)13-18(23)20-10-9-19-15(2)22/h3-8,11H,9-10,12-13H2,1-2H3,(H,19,22)(H,20,23)/f/h19-20H 2723.2375797097 -1630.1273774 1-A 13882.2701 104 351 455 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.20066 -20.63203 -20.54516 -20.54118 -20.53683 -20.52523 -15.59952 -15.59588 -15.59165 -11.35705 -11.35273 -11.29346 -11.28896 -11.28181 -11.28051 -11.26758 -11.26651 -11.25908 -11.25691 -11.25095 -11.25028 -11.23810 -11.23670 -11.23587 -11.23338 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3303.6134 3319.4927 3323.0392 3327.6069 3329.8048 3364.4583 3369.2317 3416.7465 3424.1645 3434.7428 3447.8576 3483.4262 3883.6805 3900.2783 5.0809 6.0855 4.9578 4.6866 1.0630 4.0065 1.1158 4.0647 4.1234 4.4762 5.3194 5.8918 4.5282 5.0764 4.9227 4.6616 4.6632 5.5117 5.2585 3.0698 5.8163 4.6596 4.9308 3.4939 5.2447 4.3547 3.7843 3.7772 2.3660 5.1619 3.3164 1.2464 1.2411 2.9981 4.0745 4.1813 4.1580 3.1235 7.3967 5.0670 2.9578 3.1849 2.4705 6.8406 4.1826 4.3058 4.9983 3.2412 3.3362 4.4823 1.5447 2.0564 1.8188 4.9789 1.3832 1.3742 1.2448 3.1883 6.2138 1.4372 3.0626 3.1389 2.7310 2.1210 1.3604 1.8697 1.5280 1.5254 1.3694 3.0403 4.4494 3.3258 1.8011 1.5544 3.2392 2.3633 2.4683 2.3640 2.8083 6.7599 2.2094 1.8502 1.4195 1.9587 3.2811 3.5372 1.8671 1.5780 3.7821 1.6143 1.6060 1.2609 1.8980 2.6048 1.1045 1.3274 1.2666 1.4034 1.2735 2.2015 1.9621 1.3254 1.7550 1.4428 1.0562 1.0834 1.0808 1.0454 1.0807 1.0947 1.1011 1.0986 2.2660 4.0900 2.1032 1.9539 5.7206 5.3480 6.1125 9.2386 8.8116 1.0377 1.0388 1.0702 1.0606 1.1024 1.0610 1.0603 1.1026 1.1024 1.1082 1.1059 1.1023 1.1105 1.0947 1.0914 1.0914 1.0939 1.0941 1.0947 1.0979 1.1062 1.0791 1.0794 0.0002 0.0004 0.0008 0.0013 0.0005 0.0030 0.0010 0.0042 0.0067 0.0088 0.0132 0.0168 0.0230 0.0272 0.0361 0.0546 0.0775 0.1156 0.1457 0.1343 0.2693 0.2441 0.2891 0.2115 0.3431 0.3067 0.2751 0.2905 0.1975 0.4865 0.3523 0.1335 0.1429 0.3656 0.5179 0.6881 0.7510 0.6291 1.5706 1.1828 0.7635 0.8330 0.6879 1.9560 1.2092 1.3259 1.5580 1.1079 1.1980 1.7222 0.6320 0.9001 0.8037 2.3157 0.6885 0.7245 0.6612 1.7211 3.4650 0.8626 1.8540 1.9499 1.7227 1.4487 0.9513 1.3120 1.0767 1.0959 0.9919 2.2338 3.3480 2.6467 1.4506 1.2610 2.6996 2.0046 2.1087 2.0245 2.4955 6.3537 2.1037 1.7848 1.4410 1.9942 3.4324 3.7031 2.0081 1.7110 4.1858 1.8521 1.8930 1.5072 2.3770 3.2839 1.4154 1.7018 1.6306 1.9612 1.8161 3.1581 2.8179 1.9184 2.5563 2.1134 1.6193 1.6867 1.6935 1.6384 1.6985 1.7306 1.7488 1.7484 3.7623 6.9984 3.6067 3.3902 10.5574 10.3259 11.8210 20.6089 19.7828 6.2892 6.3503 6.6567 6.6387 6.9092 6.6559 6.6677 7.0072 7.0207 7.1262 7.1799 7.1717 7.2447 7.1513 7.2792 7.2994 7.5239 7.5581 7.6092 7.6898 7.9087 9.5897 9.6746 0.1199 0.3990 2.0879 0.1402 0.1319 2.6211 0.3531 2.5626 1.1477 1.3033 3.0819 16.6760 0.6745 9.6783 2.8664 2.9415 4.0391 0.7142 2.0636 0.8412 3.3064 3.5946 14.0883 7.8549 2.7709 1.7988 28.1971 1.5837 6.5807 3.7293 36.9842 68.9376 115.6414 0.8970 7.0400 4.7670 1.7055 6.4309 66.4840 133.4765 9.7252 5.2453 2.1548 0.3353 6.9795 52.4938 44.8421 72.4695 4.2190 79.1394 9.6828 43.0203 49.5408 89.7090 16.4326 22.8003 1.8688 7.8146 9.0909 7.1462 61.8906 32.5443 128.0449 13.9246 0.6293 14.1584 2.8112 15.3452 0.2420 5.4839 2.8522 15.5572 10.4541 4.7761 5.4989 74.0504 44.3664 45.4840 54.1447 268.5474 3.4966 33.4737 6.5964 18.2996 58.2389 56.9860 42.8424 88.3096 23.8575 3.6364 210.8446 21.6480 103.9120 101.1652 2.7440 28.9301 7.7811 25.9936 25.6035 16.0486 9.8660 3.5644 51.8513 2.4185 14.5260 6.9597 2.9642 4.3292 4.4129 13.7106 24.3079 6.5854 8.4934 36.2889 95.3761 567.3742 4.3893 40.5415 1.8638 297.7980 263.2009 33.9143 8.8422 36.0852 4.6557 24.4189 10.0609 48.2530 20.9824 23.1191 0.5979 3.2905 10.6109 26.0810 5.3001 16.3521 18.2040 1.3902 2.6009 6.6305 1.4574 2.9312 45.7221 37.5496 2.3548 0.3631 1.3911 0.7264 0.1810 2.7509 0.2286 1.1693 3.9117 4.5988 2.0243 0.5119 1.4556 1.5829 1.8842 0.2697 0.3042 0.5240 0.4524 1.7988 3.5057 1.9119 5.3069 0.8880 2.0423 1.1517 0.4036 1.1134 0.3771 0.8275 0.6825 1.2799 1.0323 0.0987 0.9895 0.6373 2.4037 1.3129 0.1489 1.5603 1.1966 0.4932 0.9118 7.1007 4.1387 2.1036 3.2355 2.0548 0.6084 1.1606 1.7586 17.0473 12.3276 9.1755 1.7142 2.4519 1.7550 19.0872 5.3783 1.9871 1.5271 2.9126 3.9661 0.8550 0.8231 2.5256 2.0153 2.3463 0.1077 0.4429 8.4859 1.0371 1.4626 0.1258 3.6067 5.3308 1.4282 3.4770 24.1903 17.4328 5.3847 2.2709 1.0909 2.0841 4.8514 5.4160 8.7049 6.0338 0.6075 3.2032 1.4345 1.6416 2.7399 2.2411 11.5493 3.8599 4.4683 3.6888 3.7273 2.7442 7.5628 17.5975 7.2982 3.7768 12.7364 11.6175 33.7633 24.8614 0.9265 14.8745 1.2244 7.3097 0.6056 83.1266 11.4208 1.5089 4.7598 63.6678 20.0195 4.8526 4.5105 177.2974 108.4638 78.5172 98.9919 100.7276 59.2366 7.5651 60.8119 65.3462 78.9798 39.9550 73.0511 4.9379 38.5781 79.7481 101.0475 64.4490 66.2063 66.0634 67.7998 130.7486 41.2007 39.9119 0.7408 0.6973 0.7384 0.7277 0.7354 0.7426 0.7108 0.7489 0.7493 0.7498 0.7112 0.7282 0.5087 0.5311 0.6576 0.5365 0.3530 0.5935 0.5564 0.1368 0.3740 0.7491 0.3276 0.7431 0.3917 0.3577 0.5282 0.7008 0.6238 0.7384 0.7213 0.7386 0.6896 0.3531 0.7498 0.2873 0.7413 0.3182 0.7047 0.7451 0.7376 0.5093 0.7474 0.7143 0.3278 0.4371 0.7022 0.7113 0.3665 0.3218 0.0797 0.1126 0.0908 0.2532 0.6902 0.7421 0.7320 0.1483 0.7450 0.7106 0.2883 0.1328 0.7362 0.6947 0.7282 0.3859 0.7455 0.5503 0.5170 0.7479 0.1074 0.6241 0.4858 0.6690 0.6172 0.6945 0.7114 0.7494 0.1060 0.0636 0.1628 0.3327 0.6132 0.3458 0.7304 0.3588 0.6300 0.3984 0.7068 0.7440 0.7408 0.7399 0.7026 0.6672 0.7436 0.6952 0.7357 0.5651 0.7328 0.5462 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0.7065 0.7214 0.6045 0.6649 0.7804 0.8571 0.8542 0.8341 0.8509 0.5621 0.8429 0.6062 0.6831 0.8569 0.3593 0.7908 0.8486 0.8558 0.6866 0.5386 0.5016 0.6199 0.0754 0.0338 0.2793 0.1535 0.8503 0.0515 0.1631 0.8548 0.8564 0.8370 0.6521 0.7701 0.6371 0.6480 0.5662 0.4752 0.3352 0.3337 0.8497 0.3997 0.2995 0.3317 0.3503 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 6 6 6 6 6 6 6 16 8 8 7 6 6 6 6 6 8 6 6 8 7 6 6 7 6 8 6 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 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 14.00307 12.00000 15.99491 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 9006.3737 17566.2763 23152.1326 0.99997 0.00504 -0.00497 -0.00509 0.99993 -0.01036 0.00491 0.01039 0.99993 1 0.00962 0.00493 0.00374 0.20038 0.10274 0.07795 10.64 15.64 23.72 31.10 39.12 51.44 55.93 60.15 75.32 83.30 93.54 100.02 133.60 137.33 160.59 202.78 241.57 271.43 311.98 392.04 403.32 429.00 453.85 461.21 479.43 497.42 505.38 519.85 541.49 575.45 610.90 613.50 635.96 654.52 668.27 760.38 796.61 841.22 863.75 905.63 952.35 958.59 989.11 1002.33 1007.84 1040.13 1046.49 1095.87 1123.25 1161.86 1198.92 1240.10 1246.00 1278.34 1322.45 1361.05 1366.08 1377.18 1399.72 1452.13 1458.39 1477.35 1488.71 1549.15 1567.44 1570.22 1573.42 1588.76 1595.31 1606.67 1625.95 1672.14 1682.21 1688.27 1711.18 1726.34 1732.52 1734.60 1766.95 1817.23 1829.03 1840.99 1888.55 1891.33 1917.16 1917.86 1943.95 1951.81 1971.93 2007.76 2035.08 2049.33 2097.65 2104.61 2121.96 2122.38 2126.78 2215.88 2238.43 2245.04 2246.34 2255.09 2262.24 2268.62 2320.88 2338.85 2346.31 2346.64 2349.86 2356.80 2362.27 2364.66 2415.26 2451.93 2454.60 2469.02 2546.40 2604.58 2606.67 2799.58 2808.56 4614.67 4634.46 4674.74 4689.63 4692.63 4694.68 4700.58 4725.31 4730.21 4753.16 4776.01 4781.11 4787.68 4790.85 4840.71 4847.57 4915.94 4926.61 4941.83 4960.70 5011.87 5587.75 5611.63 0.434081 0.460516 0.461460 0.368272 -1629.693296 -1629.666862 -1629.665917 -1629.759105 3.125541D-04 MUNgauss RevisionA2.0 retrievium 23-Aug-2020 DUDE Cc1ccc(cc1)S(=O)(=O)N(Cc2ccco2)CC(=O)NCCNC(=O)C C22759161 RHF 6-31G(d) (6D,10F) C1 393.135843 |X|Y|Z| 93.251211 64.124957 32.778311 58.088395 14 6 7 8 16 11 1 1 1 |36.858105| |12.616354|36.858105| |7.565978|13.658022|36.858105| |5.023050|7.890712|13.825358|36.858105| |4.439575|6.849885|7.970661|13.707889|36.858105| |5.009161|7.895097|6.884201|7.916585|13.773766|36.858105| |7.544888|13.739920|7.965440|6.876495|7.960116|13.735353|36.858105| |3.142948|4.185590|4.734621|6.942174|10.760273|6.974938|4.735292|388.023441| |2.884775|3.710303|3.849890|4.957034|7.411729|6.630924|4.479690|94.717752|73.516695| |2.868996|3.681017|4.371917|6.314761|7.326146|5.033415|3.867959|94.606250|13.612854|73.516695| |2.814230|3.588217|4.046584|5.492792|6.893351|5.192479|3.917198|82.422308|13.677492|13.774693|53.358707| |2.791772|3.489608|3.697044|4.584315|5.759947|5.087965|3.940231|50.788333|11.389288|8.876699|17.710588|36.858105| |2.314556|2.758166|2.901329|3.429872|3.987687|3.652348|3.028902|34.722948|8.328794|6.980450|10.563121|12.765966|36.858105| |2.147262|2.487406|2.604166|2.966700|3.279328|3.062165|2.666104|26.463764|6.292146|5.633908|7.238012|7.355022|14.196215|36.858105| |1.856879|2.114835|2.203051|2.484141|2.727396|2.570885|2.261236|22.415578|5.510769|4.959690|5.722520|5.143096|8.565082|13.224036|36.858105| |1.835853|2.109822|2.198597|2.517496|2.826502|2.652647|2.284715|24.444940|6.209846|5.404001|6.186168|5.335142|8.782992|8.610255|14.230102|36.858105| |2.063152|2.428713|2.542539|2.992776|3.486567|3.221893|2.675284|32.016631|8.227810|6.723887|8.696844|7.834918|14.154247|8.643776|8.627125|14.176702|73.516695| |2.540666|3.125757|3.647073|4.796109|5.116245|3.929106|3.218254|50.366595|9.046401|12.089013|17.950321|7.581619|6.494976|5.120231|4.192952|4.395657|9.943240|36.858105| |2.674603|3.239800|3.878108|4.877155|4.670515|3.670882|3.184686|36.913590|6.951792|8.894293|10.388425|6.126082|5.405814|4.914011|3.880935|3.735399|7.748396|12.498587|36.858105| |3.128452|3.852538|4.719262|5.836387|5.277685|4.147614|3.686724|36.195413|6.833998|8.267901|9.223055|6.041651|4.919057|4.554168|3.509047|3.317502|6.854383|7.941432|15.838591|73.516695| |2.310830|2.690979|3.160442|3.745071|3.536829|2.917760|2.615773|27.721699|5.573981|7.050083|7.056522|4.483991|4.431739|4.373957|3.696676|3.487791|6.758488|7.892446|14.133594|15.103231|53.358707| |2.249441|2.541133|2.965996|3.322314|3.037588|2.588370|2.410670|22.283986|4.625211|5.642042|5.252172|3.561292|3.524886|3.655220|3.148666|2.893256|5.416516|5.020164|7.762703|12.134824|17.879721|36.858105| |2.159712|2.398547|2.699583|2.933073|2.757386|2.440304|2.302375|19.889655|4.275502|4.831770|4.723329|3.465068|3.572237|3.979598|3.393020|2.962973|5.373821|4.178111|5.924298|10.239388|10.488508|12.462509|36.858105| |2.033088|2.194791|2.442405|2.562897|2.379271|2.148912|2.078104|16.744947|3.663921|4.105867|3.784280|2.786099|2.837337|3.131807|2.766729|2.445437|4.387882|3.208370|4.212183|7.637806|6.911752|7.714226|13.152916|53.358707| |1.788857|1.913018|2.112755|2.213864|2.071213|1.882362|1.820378|14.792749|3.280552|3.682040|3.287527|2.397603|2.478497|2.724376|2.507015|2.240089|3.952176|2.786445|3.458849|6.046150|5.753854|5.935719|7.770211|19.166873|36.858105| |1.678063|1.807426|1.996772|2.123006|2.008325|1.816801|1.736852|14.686864|3.268142|3.692566|3.283317|2.368988|2.494341|2.740293|2.586443|2.324528|4.050915|2.831946|3.425101|5.735532|5.911038|5.799368|6.870247|11.582055|15.848137|73.516695| |1.683843|1.765154|1.926041|1.975159|1.842684|1.700154|1.669872|12.953079|2.907877|3.223311|2.804167|2.057335|2.103874|2.291218|2.128800|1.920434|3.388185|2.309669|2.778300|4.980058|4.375128|4.181974|5.012815|10.667381|12.586001|14.242075|36.858105| |17.547672|8.856722|6.718824|4.604138|3.983649|4.306097|5.898433|20.780294|4.769538|4.905357|3.515889|2.507267|2.108459|1.957299|1.715138|1.705834|3.391070|2.371728|2.479838|5.054859|2.960143|2.124518|2.015845|2.602986|1.701516|2.849104|1.610320|0.500000| |17.586859|8.836018|5.570738|4.169545|3.968489|4.743855|7.239904|20.708685|4.923804|4.662974|3.566391|2.658533|2.226723|2.071657|1.803305|1.785115|3.551684|2.340170|2.427297|4.968076|2.874372|2.049869|1.995918|2.562900|1.667427|2.789492|1.576213|0.301642|0.500000| |17.549309|8.855729|6.757648|4.615041|3.981572|4.290001|5.863920|20.747659|4.705914|4.765034|3.697883|2.723751|2.289195|2.161184|1.860882|1.816145|3.593334|2.503445|2.712471|5.733065|3.221266|2.352402|2.283478|2.962306|1.900208|3.133237|1.800162|0.302227|0.301553|0.500000| |7.029629|8.895512|17.708278|8.973958|5.664559|4.957122|5.656301|27.834770|5.732834|6.789034|4.761384|3.194948|2.606314|2.392320|2.046763|2.026949|4.092351|3.323563|3.655670|7.861845|4.206585|2.998963|2.704875|3.402295|2.167701|3.614533|1.994758|0.190566|0.140708|0.192688|0.500000| |4.099318|5.628341|8.944007|17.774339|8.899413|5.640691|4.958275|47.012475|8.071587|12.493637|7.589163|4.363435|3.386213|2.952888|2.495038|2.529967|5.305800|5.394609|5.624614|11.547833|5.867543|3.764317|3.165871|3.730440|2.371484|4.067275|2.092561|0.108447|0.095996|0.108761|0.216459|0.500000| |4.083902|5.628120|4.961495|5.641709|8.936621|17.760809|8.896664|47.421724|13.784984|8.324978|6.871208|5.208685|3.787690|3.119923|2.653571|2.786536|6.084889|3.721629|3.355999|6.496048|3.693229|2.391779|2.283433|2.735439|1.776374|3.070399|1.605773|0.099746|0.112811|0.099171|0.107658|0.124178|0.500000| |6.979758|8.917149|5.652029|4.953753|5.663706|8.945391|17.715698|27.869591|6.996644|5.790114|4.564788|3.486012|2.777135|2.479904|2.132236|2.151830|4.418591|2.789741|2.752491|5.560237|3.150275|2.155287|2.092500|2.599894|1.686776|2.862358|1.561382|0.152679|0.221864|0.151218|0.124137|0.107613|0.215427|0.500000| |3.078921|3.862809|4.081689|4.911108|5.849502|5.277265|4.279782|42.646011|9.202912|7.855853|12.322729|17.603953|9.061530|6.968924|4.667556|4.463188|10.224398|6.543617|6.428183|12.867887|6.277265|3.814612|3.817027|4.163956|2.565875|4.415342|2.203070|0.075301|0.080885|0.084961|0.097716|0.126995|0.142001|0.104166|0.500000| |2.831491|3.549238|3.598408|4.363249|5.862675|5.701188|4.235195|50.906959|13.813553|8.469981|12.553753|17.636485|9.040160|5.847035|4.515647|4.881688|12.581152|5.638499|4.627678|8.325064|4.894114|2.973794|2.908571|3.296887|2.117152|3.715653|1.851571|0.070424|0.076343|0.075298|0.085049|0.110922|0.178092|0.106283|0.300666|0.500000| |2.229399|2.557595|2.674172|2.984056|3.211058|3.019797|2.698585|24.474716|5.700217|5.255265|6.451833|6.380068|8.833724|17.793234|8.434073|5.857408|10.464213|4.662208|4.961560|8.651820|6.075377|3.922524|4.545498|4.827433|2.999372|5.243361|2.512169|0.056049|0.059607|0.063248|0.068801|0.082207|0.083766|0.069769|0.194735|0.142323|0.500000| |1.713338|1.920894|1.993905|2.210638|2.383761|2.265829|2.032943|19.100611|4.693753|4.317805|4.670549|4.035895|5.838373|8.431640|17.802656|8.828397|10.449739|3.498278|3.366212|5.482660|4.535610|2.953762|3.267741|3.715183|2.518364|4.651123|2.151437|0.044138|0.046345|0.047972|0.052033|0.061839|0.064609|0.053672|0.106051|0.100884|0.192619|0.500000| |1.689857|1.925585|2.000309|2.275277|2.542311|2.400711|2.081936|22.022168|5.710578|4.998547|5.257833|4.271954|6.039381|5.819450|8.616902|17.836004|16.509454|3.776263|3.201934|5.070714|4.156755|2.573268|2.604433|2.990284|2.048924|3.810273|1.775331|0.043962|0.045795|0.046265|0.051498|0.063700|0.070416|0.054847|0.100821|0.113209|0.123113|0.195132|0.500000| |2.239957|2.683456|3.032042|3.782009|4.073262|3.339610|2.788130|39.219108|7.983882|9.461442|12.561711|6.849144|7.253777|5.796116|4.995582|5.394854|12.030073|17.576159|8.875325|10.660357|10.062093|4.757040|4.122981|4.286224|2.791981|5.163803|2.296225|0.058301|0.058125|0.061529|0.077794|0.114712|0.090718|0.068855|0.158247|0.145035|0.138094|0.113317|0.127094|0.500000| |2.487006|3.050245|3.631305|4.847561|4.986928|3.747876|3.093131|50.477299|8.823396|15.197942|12.584842|5.599860|4.860246|3.995279|3.471317|3.706931|8.079905|17.649296|8.960549|11.366566|9.323679|4.617787|3.690238|4.009767|2.616697|4.761597|2.195830|0.065652|0.063229|0.067493|0.093160|0.160446|0.097777|0.074273|0.137870|0.128585|0.102535|0.082947|0.092551|0.304122|0.500000| |2.096967|2.424823|2.802007|3.313511|3.213226|2.682581|2.389372|26.297858|5.415676|6.847067|6.639927|4.177016|4.339518|4.271904|3.811455|3.675101|6.978974|7.577794|9.396585|10.871187|26.077319|9.020709|6.230620|6.006421|3.929256|7.562774|3.012776|0.055234|0.053726|0.059126|0.075840|0.104972|0.070544|0.059327|0.113757|0.094707|0.116116|0.095848|0.090734|0.227990|0.192571|0.500000| |2.028180|2.260355|2.614928|2.900708|2.666915|2.295948|2.147715|19.829037|4.187977|5.144875|4.533038|3.052076|3.076156|3.188042|2.868526|2.669834|4.906596|4.287927|5.789070|8.931562|12.582393|17.625420|8.879892|9.566000|6.397337|12.252047|4.413451|0.053857|0.051600|0.058648|0.074062|0.091356|0.059456|0.053820|0.088448|0.072453|0.092974|0.076056|0.067314|0.116991|0.114863|0.230635|0.500000| |2.470434|2.785365|3.333193|3.675506|3.215090|2.717299|2.572535|22.571682|4.623956|5.753157|5.101156|3.423136|3.236201|3.274362|2.797724|2.606356|4.962479|4.674753|7.223405|13.055853|12.529015|17.614317|8.853726|9.518584|5.298441|8.625990|4.041380|0.064970|0.061603|0.072518|0.096010|0.117723|0.068437|0.063292|0.103855|0.080593|0.097966|0.072656|0.064784|0.116648|0.123133|0.183118|0.301684|0.500000| |2.369163|2.650820|2.961729|3.203425|3.030824|2.701330|2.553340|21.368923|4.586947|5.029459|5.153722|3.937425|3.985082|4.500125|3.625292|3.115338|5.743850|4.374182|6.346610|12.127102|9.504801|8.876200|17.614714|12.580133|5.785498|8.966725|4.268138|0.060499|0.060840|0.070029|0.081392|0.093987|0.069892|0.064282|0.126311|0.090576|0.151018|0.095399|0.074719|0.116964|0.103861|0.152488|0.174372|0.213675|0.500000| |1.971908|2.188529|2.425577|2.654726|2.563796|2.290335|2.139253|19.048313|4.171187|4.618230|4.586735|3.413522|3.715798|4.308900|3.804174|3.240963|5.683805|4.069643|5.329321|8.639304|9.569204|8.862337|17.613557|12.530981|7.236606|13.170743|4.681119|0.051243|0.051177|0.057319|0.066721|0.078942|0.060522|0.054491|0.101500|0.079719|0.135227|0.104045|0.079011|0.117917|0.099072|0.177697|0.212962|0.173964|0.301575|0.500000| |2.139534|2.280687|2.523867|2.590328|2.381552|2.173602|2.135944|16.332599|3.584304|3.972086|3.627569|2.698744|2.693228|2.948720|2.578147|2.287826|4.140582|2.989106|3.891719|7.427633|5.974854|6.201401|9.016866|26.109417|9.375552|10.877280|7.477769|0.055691|0.054937|0.064504|0.072403|0.076035|0.056123|0.054667|0.083671|0.065854|0.093668|0.070429|0.057136|0.080083|0.076448|0.105061|0.152688|0.175523|0.230645|0.183482|0.500000| 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