Version2.0 2019-11-15T17:38:35Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 11-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccccc1OC[C@@H](CNc2c(c3c(s2)C[C@H](CC3)C(C)(C)C)C(=O)N[C@@H]4CCS(=O)(=O)C4)O C40313653 RHF 6-31G(d) (6D,7F) Cc1ccccc1OC[C@@H](CNc2c(c3c(s2)C[C@H](CC3)C(C)(C)C)C(=O)N[C@@H]4CCS(=O)(=O)C4)O C01[X(C27H38N2O5S2)] 216 C1 624 O[C@@H](COc1ccccc1C)CNc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CC[C@@H](C2)C(C)(C)C O[C@@H](COc1ccccc1C)CNc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CC[C@@H](C2)C(C)(C)C Cc1ccccc1OC[C@H](O)CNc2sc3C[C@H](CCc3c2C(=O)N[C@@H]4CC[S](=O)(=O)C4)C(C)(C)C InChIKey=PIBCGXPEALOKRQ-XUVXKRRUSA-N InChI=1S/C27H38N2O5S2/c1-17-7-5-6-8-22(17)34-15-20(30)14-28-26-24(25(31)29-19-11-12-36(32,33)16-19)21-10-9-18(27(2,3)4)13-23(21)35-26/h5-8,18-20,28,30H,9-16H2,1-4H3,(H,29,31)/t18-,19+,20+/m0/s1 InChI=1/C27H38N2O5S2/c1-17-7-5-6-8-22(17)34-15-20(30)14-28-26-24(25(31)29-19-11-12-36(32,33)16-19)21-10-9-18(27(2,3)4)13-23(21)35-26/h5-8,18-20,28,30H,9-16H2,1-4H3,(H,29,31)/t18-,19+,20+/m0/s1/f/h29H Cc1ccccc1OC[C@@H](CNc2c(c3c(s2)C[C@H](CC3)C(C)(C)C)C(=O)N[C@@H]4CCS(=O)(=O)C4)O C01[X(C27H38N2O5S2)] 216 C01 624 O[C@@H](COc1ccccc1C)CNc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CC[C@@H](C2)C(C)(C)C O[C@@H](COc1ccccc1C)CN[C@@H]1SC2=C([C@@H]1C(=O)N[C@@H]1CC[S@@](=O)(C1)O)CC[C@@H](C2)C(C)(C)C Cc1ccccc1OC[C@H](O)CN[C@@H]2SC3=C(CC[C@@H](C3)C(C)(C)C)[C@@H]2C(=O)N[C@@H]4CC[S](O)(=O)C4 InChIKey=HRYGHHMEZAIZSN-AGTPCEQSSA-N InChI=1S/C27H41N2O5S2/c1-17-7-5-6-8-22(17)34-15-20(30)14-28-26-24(25(31)29-19-11-12-36(32,33)16-19)21-10-9-18(27(2,3)4)13-23(21)35-26/h5-8,18-20,24,26,28,30H,9-16H2,1-4H3,(H,29,31)(H,32,33)/t18-,19+,20+,24+,26+/m0/s1 InChI=1/C27H41N2O5S2/c1-17-7-5-6-8-22(17)34-15-20(30)14-28-26-24(25(31)29-19-11-12-36(32,33)16-19)21-10-9-18(27(2,3)4)13-23(21)35-26/h5-8,18-20,24,26,28,30H,9-16H2,1-4H3,(H,29,31)(H,32,33)/t18-,19+,20+,24+,26+/m0/s1/f/h29,32H 4231.4763975482 -2322.7382474 1-A 33480.3905 143 481 624 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.17331 -91.97034 -20.61137 -20.58760 -20.54406 -20.54189 -20.53671 -15.59909 -15.59028 -11.36161 -11.32482 -11.30886 -11.30792 -11.30667 -11.29980 -11.28446 -11.27216 -11.26368 -11.26183 -11.24982 -11.24572 -11.24325 -11.24098 -11.23973 -11.23850 -11.23651 -11.23281 -11.23281 -11.23209 -11.23080 -11.22777 -11.21924 -11.21545 -11.20964 -11.20907 -11.20796 -9.15165 -8.98105 -6.83745 -6.83644 -6.83636 -6.66377 -6.66267 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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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 7.3646 14.4870 17.7840 20.7312 22.6124 31.9464 40.0387 41.8699 51.4499 61.1348 72.0946 81.8269 88.2762 99.3448 124.0560 135.8187 144.2508 158.8843 166.5985 173.6128 182.3533 183.2286 198.5362 200.3002 230.4768 246.4889 251.9850 268.7344 283.4097 288.0563 304.2835 309.9469 315.8259 318.5459 325.2871 343.7724 361.1704 369.8153 380.0230 382.5380 404.6467 415.4592 420.4589 436.2149 441.0229 457.9479 477.6404 483.8187 494.3338 512.6016 517.6936 525.1765 529.6805 543.4736 547.0575 563.0452 574.0453 595.1774 602.4730 606.4957 620.7869 621.6929 654.3198 661.1684 705.7247 718.5874 765.8346 773.3374 797.2379 799.6430 835.4631 842.9306 851.9915 854.1124 855.1995 888.9344 898.6086 906.1035 923.0805 952.1879 965.9352 980.8153 986.6993 997.2045 1004.4081 1009.7139 1014.5643 1027.5797 1036.5197 1048.4547 1051.3008 1057.1549 1063.3772 1077.3602 1092.6270 1098.2934 1107.5877 1114.6157 1124.7702 1134.3792 1148.7870 1151.0307 1172.5121 1175.5129 1185.9486 1191.2479 1206.7592 1210.3910 1216.2853 1221.1728 1227.5085 1230.6746 1237.6633 1253.4358 1267.0711 1275.9838 1284.4500 1299.5534 1310.9943 1316.4110 1331.7673 1335.5641 1341.7257 1352.3921 1354.9139 1373.8567 1389.0926 1391.8050 1395.3662 1399.1859 1410.7992 1416.4994 1428.9861 1433.8707 1441.5210 1441.9826 1458.2356 1461.6353 1464.6956 1472.5663 1497.7322 1506.3727 1523.1661 1528.5782 1537.2357 1553.3789 1557.5342 1559.3107 1561.3569 1569.0838 1570.7949 1588.0656 1602.4278 1606.9674 1608.0822 1613.9810 1624.9596 1628.9541 1631.5932 1635.8783 1637.7972 1639.0940 1639.7095 1640.6326 1644.7668 1653.6716 1656.9682 1658.3176 1661.5365 1665.3645 1669.3491 1679.4157 1686.7494 1728.5852 1792.3694 1808.3848 1810.6619 1937.5964 3175.2619 3181.2705 3196.9273 3197.5815 3202.3022 3206.6481 3207.5016 3213.6544 3214.0409 3219.4489 3224.9204 3230.7586 3247.8061 3253.0949 3253.5458 3257.7523 3259.4612 3259.7153 3264.4671 3265.8702 3265.9073 3269.4871 3272.5618 3276.4333 3279.8290 3286.3003 3286.9333 3289.2270 3304.4809 3334.4915 3354.0299 3357.7150 3368.7830 3387.3426 3404.7882 3837.5029 3855.1444 4097.2455 7.2013 3.8106 6.0040 5.8122 5.0138 5.4855 4.3496 3.4052 4.3030 3.5610 4.2023 5.4975 5.4119 4.6113 5.6692 3.3134 4.9732 2.7260 1.6439 1.8995 4.2486 3.5596 3.4310 3.5522 2.7222 1.3623 2.6102 3.8111 1.7782 1.6100 3.4603 3.5520 2.3620 1.7267 3.1789 2.0261 3.1075 4.8474 2.9487 2.5488 3.4065 4.3131 2.7526 1.3583 2.9074 3.4102 2.9583 3.1915 2.9430 3.3914 3.3432 2.5149 2.8008 4.4944 1.7556 2.6110 3.1439 4.7122 3.7634 3.4987 4.3711 4.4078 5.0981 6.3514 3.2843 6.5555 1.9097 3.5875 2.7598 2.8463 3.5577 3.0977 1.3689 5.8724 2.6605 2.7638 2.6063 4.2672 3.1255 2.8564 1.3893 2.4414 2.6097 1.7416 1.8355 1.7743 1.7574 1.9847 1.6118 1.2812 1.9852 1.3637 2.3698 2.6227 1.5999 1.9684 1.3086 1.5775 2.6609 1.6500 1.7487 2.3762 1.4926 2.3392 3.0785 2.6211 2.6795 2.6488 2.3159 1.3692 5.4563 2.4539 2.3271 1.6266 3.3477 3.2009 1.1961 1.9928 2.9336 1.5807 1.6632 1.5708 1.2746 1.8174 1.8651 1.7785 1.4576 1.6251 1.1600 2.5211 2.0559 2.4205 1.3217 2.4574 1.4678 1.3477 1.4469 1.8806 1.3591 1.4563 1.8355 1.4557 1.4149 1.3816 1.6056 1.5423 1.2624 1.3755 1.9683 1.2782 1.4619 1.2293 1.7472 1.0990 1.0967 1.7632 1.0993 1.0459 1.0580 1.0558 1.0754 1.2911 1.0873 1.5303 1.2603 1.0846 1.0577 1.1442 1.0633 1.2201 1.0566 1.8830 1.7292 2.4065 5.7431 8.0595 5.7690 10.1797 1.0833 1.0692 1.0468 1.0505 1.0464 1.0385 1.0571 1.0505 1.0584 1.0842 1.0649 1.0677 1.0973 1.1027 1.0982 1.0977 1.0998 1.1003 1.1020 1.0676 1.0971 1.1076 1.1009 1.1019 1.0626 1.0968 1.1031 1.0941 1.0927 1.1085 1.1077 1.0881 1.0913 1.0966 1.0942 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2167.33 2191.50 2199.28 2211.74 2234.97 2240.94 2243.50 2246.44 2257.56 2260.02 2284.87 2305.54 2312.07 2313.67 2322.16 2337.95 2343.70 2347.50 2353.66 2356.42 2358.29 2359.18 2360.50 2366.45 2379.26 2384.01 2385.95 2390.58 2396.09 2401.82 2416.30 2426.86 2487.05 2578.82 2601.86 2605.14 2787.77 4568.49 4577.14 4599.67 4600.61 4607.40 4613.65 4614.88 4623.73 4624.29 4632.07 4639.94 4648.34 4672.87 4680.48 4681.13 4687.18 4689.64 4690.00 4696.84 4698.86 4698.91 4704.06 4708.49 4714.06 4718.94 4728.25 4729.16 4732.46 4754.41 4797.59 4825.70 4831.00 4846.93 4873.63 4898.73 5521.31 5546.69 5895.02 0.672570 0.707254 0.708198 0.600036 -2322.065677 -2322.030993 -2322.030049 -2322.138211 3.627771D-04 MUNgauss RevisionA1.9 retrievium 15-Nov-2019 DUDE Cc1ccccc1OC[C@@H](CNc2c(c3c(s2)C[C@H](CC3)C(C)(C)C)C(=O)N[C@@H]4CCS(=O)(=O)C4)O C40313653 RHF 6-31G(d) (6D,10F) C1 534.222183 |X|Y|Z| 100.456846 150.019412 29.714367 76.506411 27 6 7 8 16 22 2 1 2 |36.858105| |12.624179|36.858105| |7.541698|13.784854|36.858105| |4.996807|7.864449|13.700320|36.858105| |4.429920|6.824700|7.978413|13.832780|36.858105| |5.013047|7.869068|6.904355|7.933486|13.698229|36.858105| |7.549709|13.611606|7.991382|6.874206|7.944720|13.780421|36.858105| |6.937832|8.167219|5.300361|4.614148|5.194745|7.884397|14.015342|73.516695| |4.599077|5.231768|3.984952|3.785422|4.505797|6.711783|7.940956|24.143761|36.858105| |4.062956|4.105151|3.213627|2.982639|3.342498|4.410240|5.237496|14.510118|12.545520|36.858105| |4.183813|4.051457|3.163631|2.885181|3.155708|4.051545|4.918065|13.168964|8.940876|17.532266|0.500000| |3.074687|3.156211|2.624667|2.524403|2.855105|3.602954|3.892263|9.144542|7.566857|12.543348|0.247710|36.858105| |2.748110|2.706602|2.284383|2.171159|2.382145|2.883565|3.152395|7.134975|5.046723|7.893141|0.199752|13.152032|53.358707| |2.295153|2.278531|1.976727|1.906132|2.086405|2.459032|2.607668|5.600694|3.837628|5.118229|0.133115|7.739009|18.876920|36.858105| 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|4.081420|5.619409|8.892649|17.725720|8.921905|5.637810|4.953319|6.509154|3.128869|2.554177|0.068999|2.215874|2.634946|1.724054|1.558425|1.427478|1.453897|11.838499|1.342027|1.223585|0.033657|1.218095|1.289910|1.134941|1.119202|1.053868|1.137671|1.519213|2.486332|2.225787|1.565702|0.041664|1.708485|1.574407|10.153298|2.605600|2.314235|1.436489|4.363860|0.099035|0.099596|0.113159|0.215270|0.500000| |3.543923|4.926981|5.655289|8.927739|17.717910|8.931316|5.657648|7.455773|3.911196|2.984420|0.078013|2.650809|3.024593|1.980621|1.754782|1.612512|1.670100|13.911488|1.541298|1.380250|0.037660|1.364734|1.436630|1.277914|1.266296|1.170464|1.286746|1.670833|2.698043|2.433867|1.670405|0.043999|1.794541|1.620678|10.603747|2.736503|2.393157|1.532044|4.884359|0.090400|0.090386|0.090404|0.124333|0.214302|0.500000| |4.083954|5.607282|4.971709|5.659676|8.936932|17.760147|8.891637|12.562817|7.478597|4.692625|0.115895|4.008771|4.214202|2.653578|2.260951|2.030257|2.115878|18.455767|1.902238|1.667016|0.045398|1.647383|1.758186|1.513497|1.490066|1.368488|1.517843|2.112253|3.328664|3.104853|2.067354|0.053860|2.216987|1.931119|12.525102|3.216709|2.776645|1.853190|7.113472|0.108344|0.107588|0.095903|0.107826|0.124319|0.216869|0.500000| |4.082812|4.755238|3.804348|3.745524|4.581826|6.734853|7.014362|16.495034|17.550169|8.836914|0.214972|6.837440|6.311226|3.672856|2.937091|2.553075|2.679790|25.042275|2.322252|1.993051|0.054829|1.951825|2.129697|1.763810|1.700476|1.581413|1.769939|2.667246|4.106691|3.890829|2.486342|0.065120|2.614235|2.189111|14.006747|3.507513|3.082341|2.145859|10.140910|0.120038|0.109968|0.092886|0.088359|0.086754|0.113258|0.224961|0.500000| |4.079664|4.760768|3.810478|3.756205|4.604138|6.787597|7.044458|16.522115|17.558291|8.864807|0.174378|6.912153|6.354724|3.713117|3.032832|2.594893|2.661504|24.122490|2.286934|1.977500|0.053644|1.987306|2.178803|1.746851|1.712667|1.566532|1.719307|2.814265|4.268376|4.284334|2.746531|0.069721|2.971768|2.457950|15.743951|4.041017|3.390948|2.388161|12.709080|0.111566|0.118202|0.092618|0.088433|0.086964|0.113822|0.227814|0.299254|0.500000| |2.889403|3.021991|2.555017|2.496537|2.854526|3.578939|3.738652|8.418295|6.911818|8.917151|0.216018|17.570590|12.462007|6.841571|4.597127|3.843712|4.193597|47.564204|3.357589|2.725290|0.074819|2.635510|2.949392|2.303722|2.176474|2.009740|2.293128|3.743250|5.489361|5.183137|3.034733|0.079139|2.968320|2.398473|15.744846|3.869146|3.439375|2.567740|10.288424|0.085850|0.081772|0.069060|0.063084|0.061137|0.074544|0.112923|0.204873|0.170554|0.500000| |2.901283|3.042570|2.572705|2.516698|2.882677|3.619973|3.773629|8.484153|6.976770|8.892624|0.174364|17.492017|12.279676|6.876679|4.880617|3.923578|4.058650|41.116288|3.217381|2.660159|0.071227|2.696035|3.044899|2.249350|2.186679|1.966056|2.172206|4.112076|5.815845|6.131146|3.506332|0.086924|3.493649|2.747762|18.211574|4.593983|3.860666|2.985965|12.889904|0.082910|0.085308|0.069229|0.063449|0.061592|0.075288|0.114471|0.170729|0.209986|0.301094|0.500000| |2.880043|2.762717|2.313254|2.165513|2.340461|2.817024|3.154222|7.199804|4.810831|7.650937|0.195823|9.260686|26.027847|9.531300|7.193190|4.707066|4.248784|37.817307|3.189591|2.794799|0.078038|2.922178|3.610177|2.286323|2.143463|2.062606|2.159199|6.921439|8.891300|11.209118|5.522315|0.139212|5.158415|3.657581|22.888265|5.351941|4.788748|4.007896|14.662776|0.085385|0.086676|0.069545|0.058947|0.053620|0.060128|0.082202|0.117536|0.124004|0.182152|0.203387|0.500000| |1.570579|1.594619|1.455184|1.446638|1.576581|1.763415|1.775420|3.509185|2.275474|2.535754|0.069279|3.137510|4.686058|4.379145|4.331815|5.774952|8.963677|45.718950|17.571149|8.781230|0.221338|5.541760|4.886222|6.584233|5.093592|4.553709|7.137974|3.306632|5.510139|3.802872|2.337060|0.063661|2.061250|1.805363|13.023447|3.149240|3.008249|2.201327|4.138016|0.045646|0.044428|0.040141|0.037716|0.037395|0.043044|0.052984|0.065120|0.062457|0.093745|0.085471|0.083763|0.500000| |1.546951|1.579894|1.446019|1.444686|1.580739|1.765770|1.764792|3.472960|2.262353|2.496298|0.066239|3.113103|4.570649|4.313062|4.404216|6.019698|8.925806|42.547256|17.515782|8.742729|0.174514|6.609172|5.271545|6.806095|6.552105|4.458221|6.044889|3.379031|5.538381|3.948821|2.419929|0.064369|2.128011|1.867229|13.777541|3.389119|3.155212|2.343617|4.165635|0.044410|0.044126|0.039523|0.037417|0.037383|0.043345|0.053330|0.063727|0.063729|0.090041|0.089108|0.082810|0.303944|0.500000| |1.363104|1.352816|1.241467|1.218801|1.298782|1.430478|1.465070|2.876525|1.790601|2.012624|0.054524|2.340913|3.650930|3.305081|4.022469|5.562207|4.979420|24.336323|5.512174|8.746780|0.207472|17.582155|8.905307|6.881666|5.987347|6.887022|4.494130|3.649779|6.879695|4.035338|2.629771|0.072379|2.191725|1.998397|15.469620|3.674062|3.686042|2.709096|3.558757|0.039097|0.039326|0.035308|0.032674|0.031755|0.035243|0.041945|0.049006|0.049903|0.064015|0.065446|0.071671|0.123108|0.138476|0.500000| |1.456521|1.460726|1.337141|1.320392|1.421338|1.576006|1.601852|3.154727|1.999046|2.241899|0.059506|2.684184|4.134140|3.861819|4.634510|6.715516|6.379619|29.516104|7.085045|8.826083|0.174730|17.524905|8.878794|6.479762|6.729750|5.133779|4.460621|3.924872|6.835423|4.416489|2.775857|0.073800|2.332583|2.085643|16.154623|3.931202|3.741409|2.851152|3.947263|0.041575|0.042123|0.037477|0.034944|0.034282|0.038680|0.046708|0.054616|0.056499|0.073176|0.077066|0.079662|0.141721|0.199591|0.303744|0.500000| |1.601360|1.572887|1.421366|1.380295|1.471106|1.644019|1.711327|3.431664|2.149458|2.506998|0.067016|2.957954|4.901586|4.629063|6.698407|8.900787|5.830890|29.218295|4.863150|5.482684|0.142833|8.838408|17.573090|4.010777|3.730034|3.713302|3.172863|6.551469|12.544108|6.480736|4.005089|0.107562|3.074808|2.706064|21.384406|4.956524|4.911886|4.164502|4.576946|0.045932|0.046906|0.041098|0.037279|0.035638|0.039480|0.048102|0.057413|0.059997|0.077325|0.082951|0.099242|0.108647|0.122253|0.210844|0.219909|0.500000| |1.571712|1.536181|1.388094|1.344469|1.428192|1.593673|1.664497|3.339694|2.081411|2.437693|0.067073|2.855429|4.795753|4.520866|6.266769|8.942279|6.158624|29.806753|5.296142|6.554277|0.202391|8.787292|17.551272|4.482061|3.730314|4.315462|3.585182|5.799620|11.996309|5.596092|3.500683|0.099735|2.759041|2.437733|18.366208|4.186617|4.321374|3.401280|4.336525|0.045615|0.045584|0.040431|0.036495|0.034741|0.038281|0.046479|0.056438|0.056919|0.076741|0.077078|0.095435|0.123402|0.120889|0.218842|0.173986|0.305936|0.500000| |1.250781|1.262820|1.173090|1.168584|1.254218|1.368560|1.373809|2.651463|1.657687|1.800907|0.048270|2.091337|3.080909|2.697890|2.982454|3.802499|4.001541|21.457656|5.118614|6.626144|0.139794|6.873248|4.453821|8.707600|17.566450|6.961630|5.502511|2.641380|4.687238|3.138651|2.061525|0.055614|1.805083|1.658346|12.733089|3.133347|3.018809|2.122438|3.136379|0.035596|0.035822|0.032486|0.030801|0.030628|0.034468|0.040476|0.045944|0.046852|0.058364|0.059817|0.059469|0.119595|0.155576|0.197157|0.221194|0.114142|0.108424|0.500000| |1.183149|1.200742|1.122255|1.123919|1.207265|1.309375|1.304990|2.497883|1.557861|1.669104|0.045057|1.922521|2.777862|2.381756|2.532556|3.119208|3.436940|19.534796|4.552888|5.420982|0.123560|4.674910|3.410970|8.795533|17.538879|6.940944|7.091360|2.235618|3.946071|2.698004|1.781736|0.048391|1.590432|1.465097|11.051501|2.723701|2.630020|1.803891|2.866331|0.033721|0.033622|0.030816|0.029484|0.029565|0.033353|0.038771|0.043710|0.043855|0.054638|0.054593|0.053221|0.117481|0.138707|0.130445|0.136309|0.086165|0.087078|0.302594|0.500000| |1.312588|1.338957|1.243852|1.247789|1.351964|1.480359|1.471558|2.837488|1.798470|1.936219|0.051656|2.288007|3.299293|2.902907|3.062260|3.886112|4.522052|24.801257|6.446783|6.729517|0.137881|5.708072|4.057240|8.694010|17.551835|5.494733|6.806359|2.600084|4.462680|3.123154|2.012319|0.053903|1.788598|1.620794|12.207133|3.027196|2.855593|2.022815|3.305598|0.037388|0.037402|0.033944|0.032469|0.032644|0.037337|0.044237|0.050434|0.050981|0.065128|0.065841|0.062269|0.153382|0.231525|0.140922|0.183599|0.101036|0.097799|0.301653|0.302597|0.500000| |1.228937|1.223247|1.132667|1.116673|1.186175|1.293578|1.316677|2.553774|1.575078|1.736243|0.048153|1.979008|2.995042|2.589505|2.864608|3.608272|3.733357|20.342978|4.620394|6.901962|0.220914|5.424141|4.242100|8.733923|5.505554|17.535680|6.969604|2.575796|4.794988|2.968372|1.969384|0.055449|1.715682|1.579445|11.746769|2.791413|2.839610|1.951207|2.985454|0.035516|0.034908|0.032051|0.029921|0.029265|0.032346|0.037834|0.044090|0.043249|0.056106|0.054039|0.057943|0.125196|0.112392|0.167195|0.123181|0.099710|0.124402|0.141034|0.141542|0.122277|0.500000| |1.145060|1.147865|1.070419|1.062309|1.130158|1.224566|1.235377|2.373589|1.462426|1.586427|0.043586|1.800344|2.661834|2.269542|2.465508|3.032749|3.191982|17.984338|4.020763|5.469944|0.145954|4.603532|3.484943|8.774998|6.979633|17.541675|7.076537|2.230399|4.081943|2.641438|1.767490|0.049123|1.561923|1.449584|10.873393|2.623474|2.629937|1.778232|2.733998|0.032869|0.032501|0.029941|0.028284|0.027954|0.031008|0.035893|0.040976|0.040551|0.051044|0.049932|0.051553|0.107973|0.106810|0.142378|0.116100|0.086067|0.096298|0.173432|0.209552|0.141405|0.301834|0.500000| |1.208888|1.204379|1.116480|1.101794|1.170522|1.275133|1.296180|2.510481|1.548062|1.703436|0.046635|1.942893|2.935973|2.548525|2.886760|3.666653|3.647179|19.537049|4.416208|6.761094|0.177370|6.653298|4.641492|8.675822|6.884157|17.577436|5.517325|2.642275|4.939177|3.058865|2.044102|0.056891|1.767245|1.638489|12.472275|2.984004|3.020540|2.083314|2.973187|0.034690|0.034553|0.031537|0.029499|0.028896|0.031951|0.037306|0.042918|0.042977|0.054231|0.053969|0.057372|0.110290|0.114148|0.245974|0.155803|0.114069|0.128887|0.206741|0.169714|0.140299|0.301661|0.302994|0.500000| |1.331896|1.358460|1.261051|1.264401|1.370080|1.501421|1.493489|2.881802|1.827140|1.966609|0.053673|2.318403|3.334495|2.900064|2.932257|3.649741|4.546236|26.348256|7.005564|6.617548|0.160090|4.461831|3.565451|8.685426|6.997936|5.524353|17.566050|2.447672|4.213171|2.920118|1.874738|0.051187|1.682524|1.515801|11.081862|2.707970|2.603428|1.820671|3.264758|0.038374|0.037520|0.034441|0.032908|0.033059|0.037810|0.044859|0.052339|0.050700|0.068383|0.064440|0.061830|0.230940|0.198631|0.110776|0.119974|0.084729|0.092457|0.140746|0.178821|0.204891|0.140419|0.144262|0.122268|0.500000| |1.201523|1.217476|1.136519|1.136385|1.219605|1.324050|1.322433|2.534941|1.579803|1.695859|0.046598|1.948514|2.819903|2.401740|2.490529|3.040129|3.480790|20.338005|4.749780|5.463489|0.142188|4.003573|3.170224|8.781773|6.874936|7.192184|17.545285|2.168418|3.835774|2.596219|1.705876|0.047039|1.530994|1.401549|10.317581|2.510544|2.459580|1.678467|2.856776|0.034571|0.033855|0.031298|0.029865|0.029871|0.033641|0.039161|0.044961|0.043750|0.056628|0.053968|0.053418|0.142009|0.129625|0.108313|0.105079|0.076903|0.085252|0.141567|0.210652|0.165133|0.177600|0.220367|0.144525|0.302931|0.500000| |1.311567|1.322429|1.224393|1.217090|1.306995|1.431305|1.440966|2.792338|1.749808|1.908965|0.052993|2.217975|3.273200|2.837033|2.936590|3.664876|4.327720|24.608033|6.086703|6.964974|0.207015|4.509587|3.712707|8.722923|5.503720|6.850527|17.528654|2.495419|4.412976|2.923557|1.892407|0.052609|1.683115|1.522567|11.077936|2.665473|2.628996|1.825843|3.183640|0.038041|0.036927|0.034017|0.032112|0.031825|0.035827|0.042335|0.049961|0.047899|0.065046|0.060300|0.061331|0.203070|0.145886|0.116805|0.110986|0.086202|0.102352|0.122323|0.142405|0.140024|0.204292|0.169969|0.139647|0.301269|0.301874|0.500000| |2.416583|2.332339|2.015415|1.908554|2.044605|2.383053|2.593316|5.543379|3.532980|4.590928|0.113470|5.294691|9.483587|6.791697|7.413211|4.948137|4.079228|30.826770|3.122191|2.849891|0.077284|3.211794|4.079553|2.332855|2.249833|2.121876|2.119531|9.386904|11.020419|25.994254|9.131007|0.181592|7.172314|4.739058|32.354469|7.607598|6.255775|6.543260|9.873361|0.068885|0.073990|0.059931|0.052032|0.048010|0.053310|0.069285|0.086698|0.099518|0.116533|0.151559|0.245903|0.078161|0.083223|0.079341|0.090315|0.123138|0.103398|0.064330|0.055410|0.065125|0.058490|0.052875|0.060588|0.060077|0.052769|0.058861|0.500000| |2.686325|2.500897|2.156521|1.994481|2.077798|2.382937|2.667277|5.587849|3.256000|3.935072|0.099065|3.796987|5.746053|3.763541|3.860587|3.052722|2.682651|20.256331|2.231934|2.100211|0.057527|2.321669|2.762245|1.806290|1.764517|1.688622|1.669047|4.729176|7.203385|9.752964|8.784009|0.174039|17.545706|8.852574|46.326640|11.164802|7.916907|6.698386|9.522436|0.074476|0.086101|0.067288|0.056503|0.050241|0.053424|0.066806|0.077617|0.092259|0.086878|0.108057|0.145294|0.057558|0.060399|0.059910|0.065313|0.083333|0.073201|0.050566|0.044559|0.050605|0.046686|0.042957|0.048339|0.047079|0.042507|0.046404|0.217383|0.500000| 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