Version2.0 2020-07-19T06:18:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 22-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)[C@@H]2c3ccsc3CC[NH+]2CCC(=O)N4CCN([C@@H](C4)C)C(=O)c5ccccc5Cl C35938671 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)[C@@H]2c3ccsc3CC[NH+]2CCC(=O)N4CCN([C@@H](C4)C)C(=O)c5ccccc5Cl C01[X(C29H33Cl1N3O2S1)] 201 C1 614 Cc1ccc(cc1)[C@H]1[NH+](CCC(=O)N2CCN([C@@H](C2)C)C(=O)c2ccccc2Cl)CCc2c1ccs2 Cc1ccc(cc1)[C@H]1[NH+](CCC(=O)N2CCN([C@@H](C2)C)C(=O)c2ccccc2Cl)CCc2c1ccs2 C[C@@H]1CN(CCN1C(=O)c2ccccc2Cl)C(=O)CC[NH+]3CCc4sccc4[C@H]3c5ccc(C)cc5 InChIKey=ONFJSYAHFCGXCY-LYZGTLIUSA-O InChI=1S/C29H32ClN3O2S/c1-20-7-9-22(10-8-20)28-24-13-18-36-26(24)11-14-31(28)15-12-27(34)32-16-17-33(21(2)19-32)29(35)23-5-3-4-6-25(23)30/h3-10,13,18,21,28H,11-12,14-17,19H2,1-2H3/p+1/t21-,28-/m1/s1 InChI=1/C29H32ClN3O2S/c1-20-7-9-22(10-8-20)28-24-13-18-36-26(24)11-14-31(28)15-12-27(34)32-16-17-33(21(2)19-32)29(35)23-5-3-4-6-25(23)30/h3-10,13,18,21,28H,11-12,14-17,19H2,1-2H3/p+1/t21-,28-/m1/s1/fC29H33ClN3O2S/h31H/q+1 Cc1ccc(cc1)[C@@H]2c3ccsc3CC[NH+]2CCC(=O)N4CCN([C@@H](C4)C)C(=O)c5ccccc5Cl C01[X(C29H33Cl1N3O2S1)] 201 C01 614 Cc1ccc(cc1)[C@H]1[NH+](CCC(=O)N2CCN([C@@H](C2)C)C(=O)c2ccccc2Cl)CCc2c1ccs2 C[C@@H]1C[N]([C](=O)CC[NH]2CC[C]3=[C]([CH]=[CH][S]3)[C@H]2[C]2[CH][CH][C]([CH][CH]2)C)CCN1C(=O)[C]1[CH][CH][CH][CH][C]1Cl C[C]1[CH][CH][C]([CH][CH]1)[C@H]2[NH](CCC(=O)N3CCN([C@H](C)C3)C(=O)[C]4[CH][CH][CH][CH][C]4Cl)CCc5sccc25 InChIKey=RXNSEQGAVNQJME-LYZGTLIUSA-N InChI=1S/C29H33ClN3O2S/c1-20-7-9-22(10-8-20)28-24-13-18-36-26(24)11-14-31(28)15-12-27(34)32-16-17-33(21(2)19-32)29(35)23-5-3-4-6-25(23)30/h3-10,13,18,21,28,31H,11-12,14-17,19H2,1-2H3/t21-,28-/m1/s1 InChI=1/C29H33ClN3O2S/c1-20-7-9-22(10-8-20)28-24-13-18-36-26(24)11-14-31(28)15-12-27(34)32-16-17-33(21(2)19-32)29(35)23-5-3-4-6-25(23)30/h3-10,13,18,21,28,31H,11-12,14-17,19H2,1-2H3/t21-,28-/m1/s1 4089.7213124564 -2287.2831697 1-A 29385.0223 138 476 614 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.89371 -92.08235 -20.63065 -20.60799 -15.83739 -15.68950 -15.66363 -11.46071 -11.44565 -11.43657 -11.42946 -11.42216 -11.39185 -11.38673 -11.37943 -11.37670 -11.37203 -11.37153 -11.36875 -11.36631 -11.35762 -11.35651 -11.35545 -11.35339 -11.34855 -11.34616 -11.34155 -11.34036 -11.33762 -11.32862 -11.31835 -11.31567 -11.31400 -11.31286 -11.31020 -11.27824 -10.62709 -9.09250 -8.09647 -8.09317 -8.09304 -6.77500 -6.77399 -6.77233 -1.50281 -1.47912 -1.47746 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0.79164 0.79454 0.80303 0.80749 0.81797 0.82951 0.83712 0.84297 0.84461 0.84815 0.85320 0.85576 0.86507 0.86779 0.87643 0.88646 0.89583 0.89957 0.90620 0.91128 0.91991 0.93002 0.93309 0.93940 0.94178 0.94912 0.95531 0.95637 0.96037 0.96419 0.96858 0.97922 0.98200 0.98421 0.99228 0.99878 1.00104 1.00450 1.00936 1.01672 1.01756 1.02024 1.02149 1.02507 1.02932 1.03284 1.03971 1.04125 1.04421 1.04801 1.05315 1.05420 1.05914 1.06274 1.06653 1.07159 1.07355 1.07834 1.07899 1.08072 1.08549 1.09245 1.09798 1.10150 1.10837 1.11238 1.11356 1.11760 1.11989 1.12749 1.13322 1.14054 1.14332 1.14505 1.15239 1.15822 1.15966 1.16531 1.16989 1.17692 1.17976 1.18761 1.19269 1.19888 1.20328 1.20554 1.21205 1.21440 1.21498 1.23820 1.24399 1.24573 1.25854 1.26647 1.27195 1.27793 1.29072 1.30255 1.31200 1.32181 1.32670 1.33119 1.34086 1.35385 1.36453 1.36985 1.37721 1.39049 1.39503 1.40258 1.40552 1.42309 1.43554 1.44880 1.46095 1.46992 1.47685 1.48448 1.49597 1.50962 1.51576 1.54013 1.55270 1.55598 1.55958 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3.7832 0.9317 2.0502 1.7054 4.5623 5.4628 2.9752 2.1317 10.3793 17.5967 0.8459 0.7687 3.7059 4.8826 4.9859 2.1787 2.2727 9.8740 3.5490 1.5145 1.7038 4.9878 16.9717 9.5868 7.5735 1.8803 4.6525 0.7367 2.0003 1.8578 1.4608 7.6661 7.0727 0.7433 4.7912 2.9269 0.7924 11.8618 1.7397 0.6827 5.7149 0.7828 2.7872 0.1128 27.1387 2.3528 0.0161 2.6019 1.1537 1.1348 6.7822 10.0641 0.2878 7.6286 10.3547 3.3379 2.6479 6.1581 6.6724 7.3748 6.4886 23.8877 2.7208 3.3089 0.4920 3.4194 1.9124 2.3540 8.8527 3.8733 2.0473 6.4490 4.9006 4.4131 8.7924 5.4327 6.7168 3.9416 13.8692 7.0719 3.3194 4.6513 2.8809 4.5016 2.7413 3.2564 1.8759 5.9941 9.9236 14.7663 1.6316 4.5406 9.1669 9.5103 1.3673 3.3566 9.6521 19.8921 9.1350 7.8056 17.5445 17.6557 12.9195 6.2826 2.1575 48.7480 6.0487 10.7539 2.5760 18.2199 0.9471 9.3875 6.3087 5.1154 30.1831 73.0131 14.5981 15.6263 29.7113 65.9697 108.8705 185.8420 129.7439 71.6263 38.7762 26.1225 75.7293 100.4184 31.4842 74.7846 105.9987 28.6474 62.8000 102.4990 54.7990 75.1413 46.6727 35.4631 29.2188 54.3547 51.2885 43.8500 95.2201 132.4169 80.0293 27.5846 118.1639 190.0274 53.0190 141.1177 20.4291 0.7499 0.7429 0.7402 0.7314 0.7474 0.7495 0.7440 0.7367 0.7449 0.7427 0.6894 0.5727 0.7456 0.7476 0.3130 0.3303 0.5306 0.6620 0.6422 0.7183 0.7466 0.6604 0.7494 0.7341 0.1843 0.7497 0.6007 0.6368 0.6212 0.4141 0.3327 0.7464 0.4266 0.4390 0.7467 0.6388 0.5378 0.4128 0.7270 0.3231 0.1243 0.7362 0.5899 0.5399 0.5684 0.6678 0.3867 0.3526 0.7418 0.2056 0.3884 0.1640 0.5204 0.7499 0.2352 0.7469 0.7492 0.2046 0.0235 0.1746 0.1350 0.5127 0.4383 0.0204 0.2450 0.6611 0.6411 0.0219 0.6490 0.4176 0.3657 0.3455 0.0947 0.1810 0.1193 0.6602 0.6344 0.6638 0.7298 0.7289 0.6331 0.7022 0.2944 0.5809 0.6982 0.6403 0.4728 0.5235 0.6898 0.4952 0.5240 0.5669 0.6422 0.1582 0.1224 0.5275 0.3932 0.0774 0.7497 0.7304 0.7274 0.6496 0.5617 0.4160 0.6861 0.7102 0.1624 0.1157 0.0994 0.0658 0.4113 0.1856 0.5583 0.3600 0.3185 0.6073 0.4928 0.7481 0.7480 0.1334 0.7141 0.6702 0.3862 0.7484 0.3114 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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 56 57 58 59 60 61 62 63 64 65 66 67 68 69 6 6 6 6 6 6 6 6 1 6 6 6 16 6 6 6 7 1 6 6 6 8 7 6 6 7 6 1 6 6 6 8 6 6 6 6 6 6 17 1 1 1 1 1 1 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 12.00000 1.00783 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11953.4407 45292.3222 51586.6939 0.99999 0.00321 -0.00370 -0.00319 0.99998 0.00473 0.00371 -0.00472 0.99998 1 0.00725 0.00191 0.00168 0.15098 0.03985 0.03498 10.55 17.79 27.65 32.14 38.35 50.52 63.12 74.31 79.56 92.00 107.09 120.60 136.49 142.53 194.21 224.84 226.89 239.07 255.95 270.61 295.24 315.38 327.06 350.29 371.81 385.71 416.10 428.79 450.36 476.74 501.40 534.50 538.91 555.55 566.95 580.86 583.30 657.90 659.06 671.17 692.74 701.58 706.19 745.38 755.15 756.12 815.25 829.22 838.62 859.98 869.88 893.68 909.12 928.56 964.75 1009.19 1011.39 1044.67 1059.96 1119.41 1129.34 1133.10 1170.99 1182.79 1186.94 1225.15 1232.16 1247.54 1260.56 1268.75 1295.73 1313.12 1319.46 1324.09 1347.68 1374.34 1405.84 1426.87 1438.01 1463.73 1466.20 1479.67 1497.68 1506.42 1520.61 1564.45 1571.49 1575.12 1578.05 1594.61 1596.95 1602.91 1611.19 1628.55 1635.98 1657.06 1693.98 1704.61 1712.74 1714.89 1719.93 1733.02 1739.00 1740.90 1747.98 1757.94 1795.32 1806.00 1812.69 1860.57 1861.88 1878.07 1893.69 1904.36 1906.56 1909.48 1925.58 1928.32 1933.60 1969.95 1973.24 1981.19 2016.83 2022.89 2029.51 2066.74 2076.79 2093.95 2113.10 2134.22 2151.20 2168.01 2174.30 2180.96 2208.34 2214.39 2218.85 2238.95 2253.58 2257.44 2258.19 2271.28 2283.47 2295.47 2305.65 2309.97 2321.30 2343.01 2350.02 2352.49 2355.11 2357.13 2360.80 2365.59 2371.50 2372.87 2373.43 2378.79 2379.43 2388.11 2432.43 2545.32 2548.27 2567.52 2587.48 2613.27 2759.08 2829.00 4617.12 4619.71 4621.92 4625.73 4641.01 4661.05 4664.31 4670.75 4704.58 4709.58 4717.47 4724.08 4726.41 4738.09 4747.47 4754.19 4773.91 4793.92 4811.90 4816.94 4823.49 4825.99 4831.04 4855.15 4859.47 4869.69 4870.05 4880.06 4888.74 4903.81 4912.72 4965.67 5309.94 0.621095 0.652396 0.653340 0.551992 -2286.662074 -2286.630773 -2286.629829 -2286.731177 3.399229D-04 MUNgauss RevisionA2.0 retrievium 19-Jul-2020 DUDE Cc1ccc(cc1)[C@@H]2c3ccsc3CC[NH+]2CCC(=O)N4CCN([C@@H](C4)C)C(=O)c5ccccc5Cl C35938671 RHF 6-31G(d) (6D,10F) C1 522.198202 |X|Y|Z| 150.054751 71.581073 41.768778 76.553769 31 6 7 16 27 3 1 |36.858105| |12.620010|36.858105| |7.534793|13.740644|36.858105| |5.004566|7.889751|13.726458|36.858105| |4.412112|6.783671|7.906856|13.755547|36.858105| |5.018117|7.882831|6.898735|7.969394|13.660371|36.858105| |7.555196|13.647105|7.985298|6.907014|7.912262|13.816468|36.858105| |3.265818|4.405954|5.014556|7.566513|12.569988|7.520640|5.011949|36.858105| |3.036513|3.978392|4.801589|7.378268|8.930337|5.590277|4.196175|17.621292|0.500000| |2.887746|3.712457|3.956173|5.208796|7.507124|6.220902|4.353326|12.584765|0.247743|36.858105| |2.910058|3.667494|3.858758|4.794657|6.164169|5.521736|4.208458|7.329290|0.176024|13.223644|36.858105| |2.493734|2.998769|3.062216|3.590913|4.379190|4.231182|3.430186|5.091879|0.127088|8.251616|14.192573|36.858105| |2.204176|2.615225|2.649589|3.100091|3.824952|3.745016|3.020115|4.733789|0.116728|7.463611|7.449561|11.039387|388.023441| |2.468091|3.038267|3.143591|3.883814|5.156941|4.760301|3.560645|7.534646|0.169902|14.131294|8.201552|7.724046|78.470752|36.858105| 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|2.065530|2.295366|2.584433|2.823784|2.664884|2.348327|2.208741|2.752850|0.082376|2.294015|2.025574|1.809331|12.927466|2.164041|2.321445|2.848656|4.139340|0.076942|3.910236|4.982011|7.890864|12.446173|17.618489|7.670910|6.617732|10.579232|12.488899|0.249924|36.858105| |1.789077|1.910982|2.118703|2.213441|2.056992|1.863065|1.807742|2.069349|0.061300|1.792814|1.640557|1.489102|10.516608|1.696409|1.778174|2.071845|2.978729|0.056841|2.608633|3.048753|3.916832|6.757998|6.779074|4.372098|5.025149|10.220502|12.480764|0.250448|7.500486|36.858105| |1.598453|1.741598|1.941581|2.106179|2.002783|1.783742|1.682390|2.115800|0.064200|1.867866|1.701603|1.560004|11.164245|1.795383|1.899730|2.224942|3.043718|0.056771|2.578089|3.174547|3.754453|5.861296|6.903634|5.893690|7.782976|18.808485|7.689330|0.160782|5.918677|6.340694|36.858105| |1.532222|1.657874|1.823856|1.959905|1.881175|1.698899|1.609873|1.975873|0.059007|1.753493|1.595120|1.470615|10.599688|1.699467|1.813412|2.110155|2.880660|0.054384|2.446119|2.925268|3.509517|5.701981|6.168724|4.781839|5.468442|11.436975|6.797731|0.139240|5.711512|6.725381|15.962927|73.516695| |1.483015|1.614098|1.796257|1.954601|1.868061|1.664373|1.564962|1.993936|0.060838|1.794295|1.651407|1.527409|10.931714|1.734269|1.822183|2.101438|2.824334|0.052612|2.316658|2.821664|3.126557|4.870350|5.408760|4.931756|6.507584|10.574732|4.976310|0.118935|4.165893|4.319807|12.609925|14.407708|36.858105| |1.441484|1.556240|1.735368|1.868968|1.766390|1.577414|1.496000|1.863218|0.056894|1.688294|1.577386|1.460954|10.333681|1.620296|1.675694|1.905222|2.586054|0.048405|2.093278|2.506023|2.728917|4.308454|4.582203|4.047618|5.531409|8.491328|4.320169|0.110482|3.494518|3.909213|7.634596|10.081162|13.699968|36.858105| |1.334692|1.436298|1.591777|1.711505|1.628361|1.462173|1.386555|1.723948|0.052490|1.588042|1.497669|1.400192|9.909934|1.533152|1.577565|1.766723|2.373685|0.044599|1.882445|2.215055|2.341779|3.729191|3.786289|3.314013|4.183941|5.911977|3.298477|0.086584|2.816191|3.049782|5.041258|7.422330|7.890977|13.773560|36.858105| |1.275116|1.376831|1.516003|1.640081|1.582017|1.425010|1.342476|1.695333|0.051461|1.578458|1.484476|1.399170|10.007530|1.541557|1.597454|1.779735|2.349988|0.044160|1.843853|2.158779|2.244741|3.574134|3.570117|3.146510|3.716159|5.097894|2.919572|0.075815|2.614889|2.689770|4.438915|6.819259|6.840382|7.961105|13.758574|36.858105| |1.303388|1.416328|1.556111|1.697341|1.654206|1.488325|1.391631|1.792880|0.054360|1.665175|1.546835|1.458425|10.556601|1.639906|1.723912|1.937535|2.525185|0.047292|1.990987|2.351051|2.449631|3.872791|3.919203|3.512315|3.973747|5.451640|3.093809|0.078287|2.858960|2.806804|4.995640|7.764283|7.894632|6.891585|7.939421|13.764255|36.858105| |1.401591|1.529939|1.688265|1.848860|1.797615|1.608892|1.501246|1.948510|0.059210|1.779462|1.633149|1.525615|11.058554|1.745378|1.851464|2.121145|2.781592|0.051839|2.242617|2.703731|2.900068|4.529883|4.816941|4.415105|5.062552|7.271911|3.888808|0.094628|3.575005|3.435995|7.483145|11.006386|13.722479|7.979627|6.890894|7.960694|13.768103|36.858105| |1.416129|1.555777|1.701787|1.878207|1.862522|1.674659|1.547730|2.048092|0.061604|1.871579|1.689050|1.583542|11.701603|1.865604|2.029353|2.348447|3.010490|0.056120|2.439103|2.932318|3.143691|4.921345|5.106675|4.558222|4.488621|6.332060|3.706099|0.088489|3.755383|3.265205|6.110682|10.412798|6.971640|4.749936|4.225033|4.782860|7.087546|10.915709|448.794386| |17.560142|8.862492|5.867597|4.291571|3.961256|4.613991|6.752226|3.023725|0.077822|2.782490|2.887079|2.515394|15.616280|2.397182|2.177746|2.239446|3.657934|0.078183|2.642573|2.361747|2.237757|4.128096|2.739640|1.861127|1.754331|2.235085|1.761214|0.052647|1.860041|1.627866|1.477603|2.520070|1.383176|1.348719|1.258095|1.206582|1.230964|1.314801|10.658761|0.500000| |17.557289|8.864079|5.889363|4.302335|3.963116|4.597432|6.709838|3.026196|0.077692|2.675958|2.637988|2.297665|14.817345|2.339297|2.198654|2.316489|3.844876|0.083014|2.906147|2.552704|2.489634|4.743284|3.002203|1.983432|1.855955|2.394197|1.927366|0.057625|2.062895|1.791576|1.575871|2.707803|1.452847|1.406217|1.298951|1.242269|1.273721|1.373751|11.205963|0.302221|0.500000| |17.598765|8.841219|7.226592|4.737267|3.947663|4.168387|5.567875|3.016451|0.080272|2.653560|2.683398|2.308165|14.508931|2.274613|2.103968|2.234693|3.678194|0.076568|2.782644|2.555157|2.485216|4.596364|3.065101|2.055326|1.960429|2.503662|2.001546|0.060946|2.092105|1.846716|1.630378|2.768983|1.511853|1.480171|1.368262|1.298419|1.319407|1.418290|11.392642|0.301697|0.301727|0.500000| |6.968691|8.922995|17.724195|8.943268|5.644117|4.966028|5.660470|4.099317|0.114485|3.337477|3.304756|2.697990|16.710178|2.727256|2.495962|2.759281|4.707385|0.093098|3.632649|3.452897|3.257613|5.781707|3.981709|2.675439|2.528143|3.112455|2.476560|0.077258|2.593644|2.189392|1.971879|3.279630|1.823027|1.779874|1.628923|1.536906|1.564382|1.695650|13.536060|0.151425|0.152188|0.221225|0.500000| |4.090438|5.636417|8.944553|17.695817|8.901308|5.647816|4.968152|7.001494|0.226808|4.859422|4.471196|3.404033|21.085716|3.695074|3.329545|3.908556|7.021396|0.125553|5.293754|5.313022|4.363950|7.085743|5.160786|3.579299|3.194652|3.693156|2.844882|0.087749|3.069956|2.383881|2.310440|3.762647|2.149765|2.061382|1.878641|1.789768|1.847257|2.018123|16.274171|0.099482|0.099733|0.113063|0.217302|0.500000| |4.103167|5.631098|4.963849|5.648030|8.855396|17.686746|8.977629|6.937663|0.140029|6.668271|5.722466|4.610209|30.367528|5.465779|4.677514|4.530454|8.323173|0.212954|4.744827|3.604313|3.014827|5.462143|3.438699|2.349103|2.055231|2.541143|1.962395|0.056756|2.198683|1.748553|1.697627|2.890871|1.592127|1.503063|1.400581|1.375581|1.443090|1.554442|13.113374|0.109148|0.108362|0.096068|0.107722|0.123802|0.500000| |7.018987|8.896437|5.664848|4.969392|5.640943|8.970237|17.713151|4.091820|0.096425|3.778030|3.712355|3.180924|20.300146|3.247845|2.938394|2.960325|5.061714|0.116666|3.455999|2.834305|2.578014|4.817784|3.024633|2.035002|1.845154|2.332690|1.834102|0.053767|2.009649|1.672484|1.552796|2.660784|1.447963|1.385481|1.289571|1.252301|1.297808|1.394731|11.574177|0.192646|0.190003|0.140609|0.124233|0.107777|0.217912|0.500000| |3.215948|4.096030|4.402715|5.414967|6.446086|5.644994|4.521283|6.580446|0.167917|8.557661|17.762233|8.923635|37.686206|5.715068|4.043972|3.849100|5.982578|0.117023|3.504813|3.219010|2.626431|4.407521|3.208914|2.358314|2.130794|2.542068|1.881984|0.055118|2.015915|1.653437|1.693920|2.812882|1.642489|1.582582|1.501128|1.476019|1.525346|1.609248|13.193164|0.089204|0.078870|0.082902|0.104618|0.139286|0.149534|0.108302|0.500000| |2.357979|2.760477|2.792423|3.161131|3.676238|3.627155|3.096354|4.033661|0.103972|5.691855|8.786720|17.790538|55.402413|5.427420|3.834999|3.249490|4.470238|0.090682|2.647137|2.454360|2.064292|3.497677|2.573131|1.918320|1.747885|2.123348|1.552692|0.044611|1.656706|1.389142|1.452568|2.437296|1.429771|1.377551|1.328181|1.326906|1.374560|1.427883|11.812346|0.067107|0.060205|0.061005|0.069552|0.083748|0.107813|0.081264|0.204051|0.500000| |2.268641|2.716691|2.726570|3.215092|4.117236|4.100374|3.210946|5.281165|0.122327|6.061582|4.402570|4.290709|41.607059|8.860088|17.523862|8.826871|9.131522|0.210733|4.666291|3.759856|3.015978|5.236917|3.496786|2.495845|2.099128|2.587341|1.930522|0.053596|2.212407|1.710411|1.790328|3.071301|1.705706|1.569570|1.476331|1.492559|1.608837|1.729271|15.263053|0.060620|0.061834|0.057816|0.066424|0.084254|0.135256|0.084469|0.100507|0.097660|0.500000| |2.016940|2.387580|2.475808|2.951431|3.591591|3.346684|2.698619|4.832366|0.123526|5.752548|4.323458|4.365918|44.949466|8.871798|17.576656|8.962014|7.621330|0.147939|4.128142|3.722696|2.936880|4.888723|3.525408|2.632379|2.208389|2.678225|1.946691|0.053752|2.203955|1.709321|1.869752|3.175655|1.815390|1.666104|1.581186|1.617741|1.754752|1.869902|16.583528|0.054028|0.054328|0.052453|0.061671|0.080825|0.103149|0.070088|0.098010|0.099765|0.304006|0.500000| |2.236153|2.684723|2.838036|3.445420|4.152985|3.718033|2.990289|5.557263|0.143462|4.960478|3.614588|3.273821|27.260066|5.595173|8.790021|17.628033|12.362842|0.217524|7.426383|6.121240|4.511390|7.482730|4.983602|3.522461|2.756924|3.346763|2.494352|0.068027|2.998127|2.142518|2.301172|3.931165|2.150950|1.924442|1.775828|1.796401|1.977088|2.184896|19.899354|0.058055|0.061189|0.058340|0.070450|0.094985|0.109322|0.075949|0.088262|0.076902|0.217062|0.208132|0.500000| |2.276271|2.771594|3.047252|3.879110|4.626538|3.809789|3.018333|7.129012|0.209043|6.420638|4.469512|3.912982|31.590295|6.868739|8.842079|17.647526|12.388289|0.182662|6.659914|6.641719|4.415944|6.799280|5.113530|3.885010|3.040488|3.523068|2.547990|0.070715|2.957672|2.143509|2.387362|3.963527|2.283450|2.065335|1.918630|1.940186|2.119387|2.317825|20.525160|0.059352|0.060740|0.060061|0.075940|0.112020|0.108142|0.074835|0.107337|0.089773|0.173594|0.219221|0.300717|0.500000| |3.488049|4.551261|5.129089|6.548354|7.335924|5.897107|4.814182|6.989587|0.176914|4.610254|3.631899|2.985694|21.017368|3.982006|4.190105|5.592402|12.363107|0.229133|17.716056|8.829032|7.018310|13.284870|6.493621|3.924864|3.153599|3.842517|3.109274|0.090197|3.806705|2.619468|2.459799|4.160365|2.196888|2.013279|1.807374|1.751480|1.868036|2.095834|17.938586|0.084230|0.095645|0.090481|0.120713|0.168256|0.143786|0.111310|0.098519|0.071892|0.112181|0.097102|0.148797|0.139499|0.500000| |2.697837|3.289747|3.512376|4.221823|4.881696|4.333266|3.585199|5.535088|0.142102|4.184195|3.225647|2.792945|21.050990|4.030138|4.818760|7.062522|12.438071|0.234889|17.664867|8.850180|7.102171|13.518621|6.532193|3.999189|3.081212|3.819382|3.035574|0.083788|3.877431|2.579648|2.530616|4.357690|2.257549|2.019967|1.817410|1.791836|1.951030|2.205481|19.686513|0.067523|0.075281|0.070315|0.086471|0.113854|0.118552|0.088909|0.083873|0.067207|0.132252|0.113035|0.227499|0.162821|0.304093|0.500000| |2.314370|2.777985|3.162540|3.951103|4.190693|3.400031|2.863583|5.301111|0.168381|4.100526|3.231994|2.798627|20.813146|3.903264|4.485559|6.927543|9.212771|0.143613|8.772686|17.579508|8.860693|11.075246|9.399858|6.857250|4.478393|5.013863|3.678724|0.100302|4.637790|2.903409|3.262382|5.334356|2.960462|2.582120|2.300377|2.283469|2.533634|2.919859|26.241899|0.058753|0.062505|0.062448|0.081448|0.120276|0.090683|0.070370|0.084638|0.067650|0.108904|0.114825|0.197965|0.226330|0.172826|0.209917|0.500000| |2.760149|3.421551|4.192719|5.643155|5.432080|4.004822|3.381339|6.463384|0.233505|4.458685|3.614414|2.973591|20.649499|3.829124|3.937307|5.476223|9.106855|0.141598|8.780431|17.585780|8.849995|11.078307|9.409326|6.548556|4.736232|5.096454|3.841889|0.112833|4.561126|2.979411|3.128293|5.005747|2.835254|2.574417|2.283520|2.203565|2.361374|2.683189|22.510528|0.068805|0.072877|0.075414|0.108232|0.190850|0.100261|0.079966|0.099113|0.072034|0.096346|0.097573|0.138775|0.171479|0.210903|0.173061|0.303078|0.500000| |1.865508|2.117933|2.397413|2.757673|2.700760|2.316937|2.093820|3.036767|0.095118|2.594083|2.257111|2.034324|14.825954|2.500349|2.728518|3.435308|4.556544|0.080862|3.985901|5.682324|6.363219|8.411317|12.362980|17.521303|8.859613|9.342024|5.641339|0.136809|6.691077|4.051944|6.197180|9.193514|5.324277|4.094461|3.394644|3.345547|3.924331|5.124329|47.018369|0.047684|0.050689|0.051848|0.065439|0.085444|0.061473|0.052764|0.061141|0.051321|0.069326|0.074369|0.099804|0.107320|0.098014|0.106704|0.182666|0.147668|0.500000| |2.143091|2.493345|2.931147|3.516489|3.350863|2.735832|2.435383|3.833139|0.128413|3.135852|2.712417|2.371754|16.813402|2.897151|3.048659|3.928091|5.459027|0.093041|4.760290|7.670166|7.191299|8.800017|12.371893|17.631189|8.926781|7.688443|5.003680|0.139146|5.608369|3.579547|4.550671|6.748278|4.152421|3.593978|3.074871|2.956222|3.247016|3.867967|31.765887|0.054447|0.057217|0.059764|0.079964|0.114983|0.071019|0.060023|0.074358|0.059260|0.075528|0.081139|0.107087|0.127676|0.117523|0.116355|0.229132|0.239306|0.301818|0.500000| |1.775825|1.978902|2.274406|2.552568|2.391195|2.053218|1.902110|2.590022|0.082348|2.264295|2.065662|1.866260|13.143041|2.133458|2.209328|2.624113|3.588516|0.064864|2.974693|3.900788|4.183706|6.031014|7.660949|8.892799|17.657852|12.383549|5.693316|0.151714|4.933877|4.132433|7.304507|9.013340|7.689294|6.623548|5.055683|4.501005|4.803831|6.068532|39.492591|0.045644|0.047639|0.050403|0.064219|0.081142|0.053726|0.047939|0.057462|0.048003|0.056202|0.060316|0.072658|0.081696|0.077816|0.077074|0.112827|0.115535|0.218502|0.213672|0.500000| |2.054733|2.297462|2.712799|3.025936|2.715398|2.297455|2.153774|2.837563|0.090768|2.397854|2.192861|1.940324|13.383959|2.196471|2.237783|2.678807|3.860234|0.069774|3.306761|4.380647|4.950564|7.076528|9.349681|8.843730|17.573849|12.526505|7.272344|0.236538|5.845399|4.779821|5.788658|7.855014|5.068663|4.813084|3.791996|3.303704|3.383389|4.045755|28.769610|0.052033|0.054879|0.059079|0.078246|0.098683|0.058810|0.053602|0.062081|0.049802|0.057273|0.059634|0.073265|0.081815|0.089774|0.083460|0.116123|0.136070|0.173979|0.218617|0.302775|0.500000| |2.200570|2.429723|2.710907|2.903854|2.729624|2.439846|2.325943|2.743932|0.080440|2.272275|2.008461|1.789335|12.742346|2.134196|2.283186|2.780587|4.148890|0.078581|3.993251|4.750687|7.670939|14.710953|12.509573|5.647317|4.988175|7.652136|8.837228|0.214767|17.691333|6.914784|4.545282|8.115035|3.404155|2.969238|2.456711|2.287139|2.465406|2.983505|25.155885|0.054535|0.061772|0.061901|0.075601|0.085953|0.063135|0.058912|0.055711|0.045535|0.061255|0.059559|0.081419|0.078289|0.112218|0.111633|0.117731|0.119574|0.138963|0.127635|0.109122|0.132280|0.500000| |1.885403|2.084565|2.305007|2.517309|2.433871|2.175878|2.037497|2.554230|0.075626|2.172041|1.913895|1.730951|12.548129|2.088477|2.276817|2.776530|3.907245|0.073201|3.608675|4.464866|6.479906|10.615677|12.330943|6.729703|5.708743|9.459730|8.850418|0.175014|17.552492|6.747331|6.289861|11.900671|4.340007|3.488588|2.828333|2.682281|3.010932|3.847047|34.491282|0.047607|0.052536|0.052651|0.063644|0.074977|0.057471|0.052045|0.052407|0.044082|0.060587|0.060778|0.082925|0.079843|0.095097|0.103026|0.122424|0.110519|0.191017|0.138411|0.127468|0.133103|0.301578|0.500000| |1.691409|1.792985|1.988037|2.064869|1.910574|1.733570|1.689225|1.919899|0.057052|1.681912|1.555998|1.418291|9.967381|1.590802|1.653078|1.903215|2.721081|0.051980|2.331246|2.706910|3.321088|5.660794|5.626342|3.885623|4.741563|9.576971|8.834548|0.210784|5.488100|17.579501|6.232047|11.284429|4.490856|4.314347|3.318270|2.836759|2.878705|3.463870|25.117653|0.043005|0.046819|0.048777|0.057521|0.061980|0.045218|0.043518|0.043737|0.036959|0.044071|0.044349|0.054204|0.054979|0.065062|0.063525|0.072217|0.074913|0.100497|0.090807|0.112985|0.128257|0.140059|0.140655|0.500000| |1.889986|2.000624|2.208465|2.269591|2.093973|1.911840|1.877214|2.068398|0.060683|1.783954|1.636209|1.480739|10.409230|1.679436|1.752800|2.034085|2.972212|0.057248|2.618648|2.981428|3.853384|6.956041|6.284577|3.867460|4.237597|7.578496|8.927921|0.226446|6.706108|17.553261|4.695729|8.736382|3.485664|3.240177|2.627364|2.343213|2.426394|2.885965|22.421334|0.047461|0.052951|0.054435|0.063773|0.067232|0.049593|0.048315|0.045995|0.038399|0.047147|0.046456|0.058307|0.057785|0.074571|0.072024|0.077193|0.080889|0.098219|0.091014|0.097754|0.117411|0.200871|0.160766|0.301813|0.500000| 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|1.489415|1.599436|1.790549|1.910579|1.783667|1.593340|1.523119|1.855684|0.056600|1.670525|1.567445|1.444518|10.132216|1.589659|1.632904|1.855980|2.558444|0.048031|2.084623|2.483928|2.742514|4.366634|4.616760|3.935683|5.581412|9.022758|4.710431|0.124056|3.594191|4.352649|7.152110|9.630522|8.945110|17.726273|8.925529|5.655975|4.962350|5.670817|31.460248|0.038589|0.040350|0.042768|0.051507|0.058662|0.041910|0.039131|0.043989|0.037890|0.042621|0.044750|0.051871|0.055520|0.056412|0.055617|0.069660|0.071454|0.105831|0.097024|0.171733|0.143767|0.085811|0.096732|0.140709|0.099791|0.111291|0.500000| 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