Version2.1 2020-12-26T15:55:18Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 10-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCN1C(=[NH+][C@](C1=O)(C(F)(F)F)NS(=O)(=O)c2ccc(cc2)NC(=O)C)c3ccccc3 C09419105 RHF 6-31G(d) (6D,7F) CCCN1C(=[NH+][C@](C1=O)(C(F)(F)F)NS(=O)(=O)c2ccc(cc2)NC(=O)C)c3ccccc3 C01[X(C21H22F3N4O4S1)] 159 C1 543 CCCN1C(=[NH+][C@@](C1=O)(NS(=O)(=O)c1ccc(cc1)NC(=O)C)C(F)(F)F)c1ccccc1 CCCN1C(=[NH+][C@@](C1=O)(NS(=O)(=O)c1ccc(cc1)NC(=O)C)C(F)(F)F)c1ccccc1 CCCN1C(=O)[C@@](N[S](=O)(=O)c2ccc(NC(C)=O)cc2)([NH+]=C1c3ccccc3)C(F)(F)F InChIKey=KFGGVGIVVMEEIB-FQEVSTJZSA-O InChI=1S/C21H21F3N4O4S/c1-3-13-28-18(15-7-5-4-6-8-15)26-20(19(28)30,21(22,23)24)27-33(31,32)17-11-9-16(10-12-17)25-14(2)29/h4-12,27H,3,13H2,1-2H3,(H,25,29)/p+1/t20-/m0/s1 InChI=1/C21H21F3N4O4S/c1-3-13-28-18(15-7-5-4-6-8-15)26-20(19(28)30,21(22,23)24)27-33(31,32)17-11-9-16(10-12-17)25-14(2)29/h4-12,27H,3,13H2,1-2H3,(H,25,29)/p+1/t20-/m0/s1/fC21H22F3N4O4S/h25-26H/q+1 CCCN1C(=[NH+][C@](C1=O)(C(F)(F)F)NS(=O)(=O)c2ccc(cc2)NC(=O)C)c3ccccc3 C01[X(C21H22F3N4O4S1)] 159 C01 543 CCCN1C(=[NH+][C@@](C1=O)(NS(=O)(=O)c1ccc(cc1)NC(=O)C)C(F)(F)F)c1ccccc1 CCC[N]1[C]([NH][C@@](C1=O)(N[S@]([O])(=O)[C]1[CH][CH][C]([CH][CH]1)NC(=O)C)C(F)(F)F)[C]1[CH][CH][CH][CH][CH]1 CCCN1[C](N[C@](N[S]([O])(=O)[C]2[CH][CH][C]([CH][CH]2)NC(C)=O)(C1=O)C(F)(F)F)[C]3[CH][CH][CH][CH][CH]3 InChIKey=GLPWTITXGQUOTP-FQEVSTJZSA-N InChI=1S/C21H22F3N4O4S/c1-3-13-28-18(15-7-5-4-6-8-15)26-20(19(28)30,21(22,23)24)27-33(31,32)17-11-9-16(10-12-17)25-14(2)29/h4-12,26H,3,13H2,1-2H3,(H,25,29)(H,27,31,32)/t20-/m0/s1 InChI=1/C21H22F3N4O4S/c1-3-13-28-18(15-7-5-4-6-8-15)26-20(19(28)30,21(22,23)24)27-33(31,32)17-11-9-16(10-12-17)25-14(2)29/h4-12,26H,3,13H2,1-2H3,(H,25,29)(H,27,31,32)/t20-/m0/s1/f/h25,27H 3862.5757987925 -2020.904257 1-A 17153.7121 125 418 543 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2.0658 2.2184 1.5967 5.4621 3.2687 3.0892 1.2406 1.5348 2.2178 3.1972 1.6713 2.9766 4.8276 2.4173 5.1205 1.5729 9.3104 5.5604 1.3859 1.3249 1.2433 4.3855 1.6133 2.1525 1.4184 1.4415 2.1144 1.2466 2.1157 1.0622 1.4358 1.0454 1.2055 1.0553 1.0404 1.1050 2.0101 2.1755 4.1117 2.3370 4.1312 3.7574 5.0992 4.0460 4.8878 9.0739 12.8558 1.0382 1.0658 1.0404 1.1012 1.1023 1.1040 1.1007 1.0642 1.1014 1.0917 1.1066 1.0912 1.0910 1.0931 1.0931 1.0962 1.0992 1.0939 1.0941 1.0769 1.0827 1.0784 0.0002 0.0014 0.0014 0.0022 0.0043 0.0041 0.0065 0.0030 0.0086 0.0202 0.0088 0.0067 0.0224 0.0565 0.0528 0.0725 0.0681 0.1116 0.1343 0.1247 0.2043 0.1128 0.0563 0.2628 0.2690 0.1573 0.2662 0.2065 0.3937 0.5581 0.5442 0.4816 0.5944 0.6760 0.5158 0.4986 0.3465 0.3985 0.7153 0.7477 0.4141 0.8471 0.5319 2.2571 0.2806 1.1999 0.2832 0.8313 1.1707 0.6153 1.6770 2.1019 1.9319 1.6692 2.1810 1.4491 1.2784 0.7493 2.1936 1.3759 0.5327 2.0274 1.6454 1.7375 1.1023 1.7417 1.8674 0.7112 2.6122 0.8124 0.7080 0.8851 1.0163 3.8438 4.0362 0.9282 2.4436 1.1347 1.8602 1.3785 2.0801 1.8259 1.0557 0.9975 2.6164 1.0702 1.4203 3.1703 2.8008 1.5317 1.8355 1.9889 1.4406 5.0682 3.0877 3.0822 1.2446 1.5765 2.2838 3.3300 1.7936 3.2278 5.4648 2.8130 6.0327 1.8620 11.2980 6.8533 1.7375 1.6744 1.5726 5.6564 2.0826 2.9502 2.0090 2.0512 3.0386 1.8154 3.2217 1.6253 2.2258 1.6257 1.8891 1.6644 1.6544 1.7788 3.2634 3.6042 6.9504 3.9918 7.4132 6.9987 9.4994 7.6625 9.2760 21.6077 33.9519 6.3113 6.4964 6.3490 6.8911 6.9845 7.0037 7.0452 6.8411 7.2757 7.2959 7.3966 7.3312 7.3600 7.4095 7.4420 7.4828 7.5370 7.5124 7.7981 9.0502 9.4643 9.4964 0.8528 0.1006 2.1892 1.0241 0.2582 1.8652 2.6316 0.8091 0.7257 0.9181 3.1935 0.1220 0.8801 4.3847 2.3777 3.0770 3.1994 4.6655 1.3823 1.1407 6.6973 3.8389 1.8101 2.8523 0.9067 1.1222 9.6368 0.6194 6.3307 4.1439 1.5733 8.9743 6.0812 5.7200 17.4597 13.7531 2.3642 1.0217 1.6428 2.4362 9.5062 4.9615 25.8682 0.6257 77.8881 18.9941 227.2917 20.2251 91.1847 3.6109 1.2944 109.9783 116.3752 34.6884 19.0271 3.4561 31.5453 16.0710 39.5046 11.8580 8.1295 11.8735 10.8324 32.2480 18.1537 22.2013 4.5759 24.6886 305.3256 41.8438 8.9795 3.9800 9.2281 0.4318 63.4124 7.1123 2.7184 3.4753 36.4856 19.1380 7.3286 14.2533 2.0901 3.6942 39.9566 0.0652 8.4711 101.5928 34.9478 12.2934 5.3515 11.6687 2.5785 435.7567 14.3480 56.0732 11.6404 27.6131 1.7450 145.6604 12.0673 132.9000 159.6496 292.1566 139.5388 19.1003 163.6917 337.5836 57.8537 25.2427 32.3849 158.9792 80.9886 91.6295 42.0281 18.1725 147.3615 0.8250 52.4000 10.2242 47.1215 10.7461 62.5822 0.6128 12.3397 14.9103 47.2336 67.2111 820.1612 194.8667 440.1611 303.4773 24.6336 39.0072 83.2697 241.6222 315.0250 27.4247 15.3833 4.3455 0.8163 10.8494 41.0061 18.8342 8.5109 3.5742 8.4167 9.7937 0.8432 0.0600 1.4935 0.1575 2.6993 3.1280 1.1006 12.6087 136.8097 162.3391 41.0232 2.6168 0.7397 2.4733 1.5995 1.8217 2.5078 1.1353 1.0173 4.6140 0.9184 1.2935 0.5094 2.9714 0.7318 1.8124 0.8984 0.6361 0.4509 0.6175 1.5308 1.8077 1.4143 0.5541 2.9662 2.0891 2.8242 1.1699 0.8109 1.9085 1.7399 0.5622 1.5673 1.0057 1.7652 1.1642 0.8344 2.0324 0.4424 2.2950 1.0565 2.3857 1.3473 0.6421 0.8040 2.1436 0.6357 6.1974 2.5432 1.4708 0.8237 4.8392 6.0927 3.9695 4.2944 5.3066 3.5088 3.7620 0.3416 11.6557 0.7105 0.8629 2.9407 1.8611 0.4317 0.3372 6.2120 5.6101 2.2224 6.1505 1.0910 4.4270 2.3888 8.5004 2.5288 18.2269 0.8465 21.6270 6.0059 3.2188 12.2919 9.0896 7.4887 0.7071 0.2493 1.5534 0.0690 1.2678 9.7929 14.8431 2.3568 6.6753 3.4842 1.1363 79.8530 7.2592 2.2284 4.9074 3.0918 7.9555 6.4246 1.3369 5.6147 2.1509 37.0663 6.0584 7.9429 0.9917 3.7762 6.6691 8.8829 17.5522 2.2479 3.6790 23.0347 2.1632 0.9398 9.3263 1.7879 2.9612 14.0641 1.4429 20.7708 18.0361 14.8777 18.1880 0.9791 0.3835 2.9203 5.5605 26.2027 60.3348 85.3383 4.0433 127.3512 125.5448 14.1442 21.7545 80.0059 67.2017 115.6324 83.3002 61.5405 12.4435 102.9219 59.9483 93.0765 50.7559 34.3231 26.1701 36.7741 77.4654 53.3425 48.6606 255.5331 64.0916 60.7283 49.9496 30.7285 60.9981 0.7250 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0.5619 0.6989 0.4353 0.6552 0.8100 0.6671 0.6152 0.3167 0.4678 0.0115 0.2395 0.0288 0.8473 0.8552 0.5636 0.6310 0.2992 0.7248 0.5134 0.8145 0.6266 0.8234 0.8272 0.4725 0.8567 0.1868 0.3744 0.3885 0.3632 0.4629 0.2901 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 7 6 7 1 6 6 8 6 9 9 9 7 16 8 8 6 6 6 6 6 6 7 6 8 6 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 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 1.00783 12.00000 12.00000 15.99491 12.00000 18.99840 18.99840 18.99840 14.00307 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 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 10160.7852 23853.9056 28438.5517 0.99994 -0.00458 0.01004 0.00443 0.99988 0.01503 -0.01010 -0.01499 0.99984 1 0.00852 0.00363 0.00305 0.17762 0.07566 0.06346 9.48 29.01 33.04 45.70 53.38 54.65 72.28 79.19 88.98 101.26 111.38 114.67 129.54 158.91 174.33 185.22 205.03 217.11 272.32 295.40 316.68 354.47 359.72 376.75 385.01 409.62 427.30 434.94 484.98 490.31 516.89 549.21 550.46 579.88 598.69 621.47 645.61 655.03 669.08 690.79 750.20 791.05 817.36 843.14 848.24 861.84 871.34 893.07 917.71 951.22 964.21 987.94 996.83 1011.28 1040.81 1059.77 1099.49 1110.73 1138.56 1142.44 1162.09 1180.10 1184.36 1223.00 1263.30 1303.42 1310.53 1339.36 1366.11 1389.64 1392.66 1397.02 1405.25 1496.88 1523.01 1551.52 1565.47 1567.55 1580.94 1593.45 1597.86 1615.82 1617.69 1619.39 1647.93 1664.29 1682.48 1694.80 1716.58 1718.03 1766.89 1774.81 1780.40 1805.58 1821.77 1872.28 1877.48 1899.72 1902.11 1912.96 1941.79 1951.90 1994.30 2022.00 2034.54 2039.43 2064.83 2080.98 2098.78 2107.20 2108.08 2128.77 2129.73 2194.42 2230.80 2235.93 2247.06 2261.98 2313.05 2318.62 2333.82 2337.44 2346.49 2354.09 2363.67 2378.22 2388.33 2412.65 2437.04 2449.75 2510.92 2558.20 2558.38 2579.55 2582.22 2892.52 3046.15 4621.57 4627.75 4630.44 4688.90 4718.29 4721.14 4742.15 4752.56 4817.58 4845.69 4846.09 4858.63 4868.53 4880.20 4890.79 4897.37 4908.20 4912.03 5004.09 5433.86 5541.96 5562.35 0.454807 0.484442 0.485386 0.388597 -2020.449450 -2020.419815 -2020.418871 -2020.515660 3.246319D-04 MUNgauss RevisionA2.0 retrievium 26-Dec-2020 DUDE CCCN1C(=[NH+][C@](C1=O)(C(F)(F)F)NS(=O)(=O)c2ccc(cc2)NC(=O)C)c3ccccc3 C09419105 RHF 6-31G(d) (6D,10F) C1 483.131387 |X|Y|Z| 63.411235 107.471994 39.779811 64.720433 19 6 7 16 15 3 1 |36.858105| |12.462174|36.858105| |7.566043|12.481025|36.858105| |4.962380|7.651859|12.853138|53.358707| |3.974598|5.550585|7.506732|19.610950|36.858105| |3.251106|4.330785|5.247938|11.856783|14.439644|53.358707| |2.823526|3.593793|4.208047|8.291902|9.321949|25.968990|0.500000| |3.212489|4.266558|5.033992|10.976549|8.293385|17.948586|0.244988|36.858105| |4.142499|5.878443|7.583544|18.435075|8.541307|11.333690|0.162647|12.335571|36.858105| |4.179573|5.593285|6.617573|11.265367|5.677901|7.549439|0.120867|7.810376|16.277143|73.516695| |2.986556|3.900848|4.087138|7.661045|5.714783|10.683590|0.181814|12.364934|7.545224|10.946679|36.858105| |3.422686|4.651579|4.481150|8.031188|5.781775|9.257329|0.155435|8.160154|7.024340|10.434869|14.468229|97.533100| |2.765971|3.471966|3.572349|6.181994|4.307627|7.245762|0.129600|8.109718|6.313045|10.878590|14.559789|20.042365|97.533100| |2.557363|3.213422|3.355493|6.009047|4.899604|9.473050|0.191809|8.148275|5.208567|7.782343|14.529282|20.097637|20.076503|97.533100| |2.680038|3.334324|3.932774|7.465778|5.659621|10.791845|0.194906|13.316245|7.526482|10.925889|7.915115|12.069633|15.816115|15.137230|53.358707| |2.539110|3.038860|3.756879|6.668257|5.027360|8.130273|0.155814|7.020666|5.843996|9.036191|4.737329|8.515461|9.922049|9.692405|15.391039|388.023441| |2.308362|2.680742|3.198161|5.274533|3.765961|5.803863|0.111912|5.186326|4.715659|8.166413|4.003445|7.330170|9.174240|8.195877|10.554189|95.358131|73.516695| |2.961205|3.583266|4.813557|8.705843|6.365605|8.891076|0.159012|6.797274|6.827715|10.017506|4.402623|8.519501|8.863797|8.705139|10.444428|94.311917|13.544597|73.516695| |2.171936|2.542837|3.039097|5.178999|4.268606|6.998912|0.154936|5.098343|4.097451|6.333764|3.900792|7.212894|7.976276|8.875488|9.499966|77.434390|13.000773|13.062075|36.858105| |1.908559|2.202441|2.536746|4.192817|3.382675|5.539110|0.123814|4.192116|3.373333|5.411629|3.532397|6.510579|7.514832|8.384865|7.767295|49.857137|11.106138|8.755704|13.696893|36.858105| |1.720833|1.957671|2.219890|3.575604|2.917415|4.641751|0.106111|3.354297|2.779710|4.486210|2.954763|5.641511|6.256511|7.189064|5.647650|33.825290|7.730963|6.780377|7.925885|13.839621|36.858105| |1.717361|1.942758|2.214941|3.530593|2.943007|4.550162|0.105830|3.114847|2.641500|4.215872|2.717386|5.339389|5.624502|6.577041|4.942382|29.937269|6.554487|6.546293|6.862148|7.937374|13.605209|36.858105| |1.903451|2.166530|2.529569|4.067357|3.476220|5.266733|0.123407|3.442035|2.953561|4.617997|2.876661|5.709386|5.815031|6.806675|5.322401|33.837417|6.910442|7.898394|7.980173|6.892323|7.891192|13.630107|36.858105| |2.166745|2.512581|3.029842|5.051093|4.351773|6.697813|0.153894|4.363681|3.695916|5.644588|3.400875|6.615530|6.783450|7.795216|6.970928|49.680692|8.990247|11.632739|13.731700|7.908109|6.827841|7.890119|13.826051|36.858105| 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|3.730459|4.789704|6.050401|10.386532|12.965666|10.653891|0.198203|5.157130|5.204549|7.150109|4.118567|9.631003|7.387266|8.662241|5.587568|28.114645|5.489666|8.718606|3.720177|3.009006|2.719225|2.862737|3.456099|4.113246|3.389597|2.145711|3.645867|1.934608|36.858105| |3.275916|4.061415|4.505721|7.248087|7.725265|8.594241|0.179638|4.344044|4.121447|5.911976|3.841100|9.247024|6.871682|8.569215|4.807525|23.333911|4.708735|6.672209|3.245706|2.750038|2.562012|2.717904|3.192601|3.577482|3.301752|2.115867|3.588740|1.929532|13.680854|36.858105| |2.910425|3.376880|3.658551|5.417684|5.101510|5.978494|0.127683|3.321781|3.212905|4.826508|3.010063|7.169034|5.629615|6.815510|3.890537|19.603410|4.072061|5.544638|2.808527|2.430810|2.330133|2.526414|2.957494|3.169190|3.160659|2.033289|3.406656|1.894232|7.951858|13.774655|36.858105| |2.859588|3.191911|3.568704|5.040409|4.508458|5.162421|0.108088|2.981200|2.977234|4.555932|2.637809|6.171119|5.064844|5.869235|3.595888|18.946378|3.971422|5.488833|2.719323|2.334439|2.248638|2.472615|2.944472|3.141733|3.113921|1.989004|3.300841|1.870427|6.910674|7.946552|13.737428|36.858105| |3.134301|3.497494|4.185804|5.796646|5.091754|5.520498|0.111834|3.207978|3.313138|5.049115|2.722230|6.276603|5.260313|5.900775|3.891176|21.264904|4.409655|6.470200|2.985133|2.490592|2.357041|2.585851|3.155050|3.493247|3.194418|2.017795|3.351279|1.878763|7.957886|6.845553|7.902586|13.722200|36.858105| |3.620125|4.292078|5.650953|8.255038|7.680758|7.354127|0.141353|4.091511|4.340542|6.340445|3.286047|7.527542|6.224061|6.917974|4.799176|26.245926|5.247445|8.493535|3.516601|2.829835|2.590613|2.783460|3.432457|4.049031|3.330562|2.093060|3.515709|1.908686|13.671042|7.860640|6.837948|7.940008|13.786377|36.858105| 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|8.831062|17.535525|8.884144|9.495885|5.795628|6.115556|0.105112|4.180800|5.251521|8.377821|3.953517|11.059818|7.653802|7.528541|4.385215|20.539312|4.472217|5.950540|2.495324|2.172921|1.952480|1.952216|2.177477|2.496147|2.377739|1.580516|2.762280|1.446748|5.294241|4.742856|3.876161|3.529453|3.724161|4.487151|0.212853|0.210195|0.172695|0.500000| |8.848080|17.569091|8.875757|9.575300|5.065203|5.813487|0.097831|4.528635|6.418719|11.769917|4.337764|11.995591|8.946022|7.743785|4.769368|21.903227|4.918426|6.240000|2.530716|2.219923|1.957364|1.913028|2.103338|2.439447|2.311596|1.547091|2.734414|1.405736|4.138295|3.607521|2.992161|2.790172|3.006628|3.641735|0.213083|0.172754|0.211053|0.302577|0.500000| |6.852144|8.778140|17.646104|12.606832|5.849585|6.174435|0.103299|4.675641|7.251123|12.931750|3.773363|8.922098|7.783905|6.954529|5.279000|27.406114|6.031298|8.874109|3.016130|2.523611|2.190358|2.165417|2.457148|2.956362|2.574960|1.689555|2.954577|1.527052|4.766510|3.671965|3.092383|3.083957|3.639130|4.727653|0.140238|0.168707|0.202974|0.173330|0.211066|0.500000| |6.852633|8.808728|17.691109|12.447582|7.077837|6.548659|0.112098|4.300944|5.686012|8.775154|3.518265|8.536461|6.897294|6.807689|4.773772|24.852922|5.256845|8.084582|2.955495|2.454754|2.183140|2.222050|2.576286|3.056820|2.666594|1.733076|2.989597|1.579746|6.855487|4.898958|4.104650|4.188086|5.189928|7.234053|0.140407|0.203004|0.168163|0.212473|0.173650|0.302499|0.500000| |2.534933|3.096513|3.524729|6.284799|4.517342|7.906239|0.146000|9.285656|6.471952|10.679684|7.511084|11.423775|18.450062|14.170304|25.840399|60.547529|14.002945|10.571070|5.664583|5.177620|3.829235|3.267418|3.386066|4.210829|3.617648|2.407429|4.455028|2.031693|3.425475|3.025736|2.507162|2.329112|2.498270|3.005588|0.064901|0.065304|0.070168|0.082320|0.092596|0.098741|0.086594|0.500000| |1.870461|2.154783|2.448760|4.021557|3.146858|5.155516|0.111528|4.153157|3.348555|5.514887|3.620771|6.561733|8.045243|8.531237|8.015308|47.444769|12.236483|8.036547|8.884541|17.738873|8.996345|5.653157|4.964031|5.631255|5.677495|3.762122|7.326858|2.900932|2.745652|2.519896|2.221659|2.123044|2.255812|2.564234|0.048291|0.050131|0.051727|0.058670|0.061222|0.068332|0.064832|0.161714|0.500000| 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|2.377565|2.764359|3.440109|5.723503|5.016688|7.179139|0.158750|4.458424|3.974701|5.972611|3.378257|6.751183|6.649266|7.511362|6.635079|47.114218|8.373072|13.514379|8.895082|5.630479|4.931905|5.627224|8.948624|17.757291|5.752636|3.273150|5.397492|2.767782|4.898618|4.028339|3.555807|3.624101|4.226556|5.073462|0.059152|0.066432|0.064471|0.076066|0.073150|0.092676|0.098718|0.110253|0.123837|0.107335|0.216671|0.500000| |1.541867|1.710606|1.920581|2.959318|2.455751|3.628052|0.083242|2.436535|2.150114|3.468196|2.186121|4.460843|4.533289|5.266667|3.642081|21.279898|4.782228|5.006972|4.101574|4.305961|5.755516|9.403440|7.675891|4.940172|26.049347|9.399209|10.884467|7.705068|2.510250|2.456529|2.397565|2.396864|2.452510|2.508299|0.040043|0.043137|0.041802|0.048149|0.046307|0.051892|0.054504|0.068002|0.098451|0.143572|0.235008|0.116834|0.500000| |1.316983|1.444835|1.577359|2.389171|1.952405|2.872117|0.065095|1.961786|1.745645|2.858414|1.839586|3.813395|3.868467|4.490270|2.871787|15.894121|3.688110|3.739376|2.810201|3.044077|3.851413|4.720904|3.953574|3.090496|9.650588|8.847723|10.891581|17.555862|1.997737|2.019319|2.004958|1.975907|1.959731|1.968266|0.034680|0.036785|0.035635|0.040945|0.039370|0.042529|0.044527|0.055071|0.075210|0.109314|0.114985|0.076875|0.214645|0.500000| |1.227776|1.342279|1.457490|2.200523|1.767507|2.612635|0.058382|1.832797|1.634759|2.711393|1.737126|3.579302|3.721507|4.229023|2.722122|15.023090|3.588483|3.468458|2.611552|2.941012|3.734455|4.148606|3.342823|2.735871|7.803106|8.992608|13.494244|17.653771|1.771812|1.773919|1.738831|1.708202|1.709450|1.738959|0.032436|0.034083|0.033426|0.037790|0.036891|0.039642|0.040758|0.053174|0.075026|0.113960|0.092211|0.067603|0.150361|0.299584|0.500000| |1.279460|1.394484|1.532472|2.304105|1.852961|2.702723|0.060198|1.878444|1.694325|2.803055|1.741361|3.595875|3.709695|4.174190|2.791489|15.910296|3.776020|3.730087|2.807183|3.069362|3.896801|4.692579|3.880184|3.057263|9.487668|8.883718|11.062314|17.552513|1.876602|1.854315|1.830222|1.832321|1.857428|1.878457|0.033588|0.035720|0.034910|0.039108|0.038047|0.041815|0.043222|0.053942|0.076243|0.112043|0.111320|0.075861|0.206325|0.300914|0.299897|0.500000| |3.145688|3.961456|4.168439|6.895988|7.117059|9.025817|0.192572|4.594905|4.159420|5.965281|4.333353|10.749919|7.526675|9.975439|4.958746|22.824194|4.647205|6.256879|3.164951|2.745498|2.553561|2.657495|3.030907|3.366043|3.233295|2.100784|3.604169|1.907709|8.863775|17.716729|8.923412|5.648599|4.937714|5.605399|0.081536|0.087765|0.077004|0.130883|0.101402|0.095303|0.118723|0.087400|0.070777|0.063759|0.083209|0.101183|0.065976|0.055418|0.049085|0.050457|0.500000| |2.622797|2.989647|3.118937|4.577428|4.145588|5.138223|0.111297|2.960153|2.825474|4.322468|2.786179|6.676636|5.265860|6.444890|3.511656|17.470494|3.694625|4.800844|2.530166|2.246452|2.184221|2.362613|2.697459|2.815722|3.010252|1.964556|3.296941|1.849558|5.652505|8.938405|17.743176|8.903817|5.630635|4.935831|0.068921|0.076856|0.064867|0.095627|0.075042|0.074507|0.094610|0.063823|0.057434|0.055212|0.078349|0.085224|0.063458|0.054780|0.047442|0.049386|0.215532|0.500000| |2.555395|2.766571|3.018628|4.181428|3.594597|4.269822|0.089874|2.555876|2.550546|3.987009|2.305612|5.381595|4.504808|5.170901|3.144278|16.657123|3.562491|4.735000|2.416597|2.115410|2.068696|2.286423|2.680642|2.781844|2.940580|1.895775|3.132566|1.811467|4.972801|5.654935|8.927575|17.733394|8.922629|5.653058|0.065705|0.077873|0.064479|0.084175|0.067975|0.074178|0.096881|0.057378|0.053645|0.052019|0.080841|0.087404|0.063456|0.053465|0.046054|0.049500|0.124294|0.215061|0.500000| 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