Version2.0 2020-03-02T17:24:04Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 18-Dec-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOc1cc2c(cc1OCC)[nH]c(=S)n(c2=O)Cc3ccc(cc3)C(=O)NCc4ccc(cc4)Cl C03010305 RHF 6-31G(d) (6D,7F) CCOc1cc2c(cc1OCC)[nH]c(=S)n(c2=O)Cc3ccc(cc3)C(=O)NCc4ccc(cc4)Cl C01[X(C27H26Cl1N3O4S1)] 180 C1 600 CCOc1cc2c(cc1OCC)[nH]c(=S)n(c2=O)Cc1ccc(cc1)C(=O)NCc1ccc(cc1)Cl CCOc1cc2c(cc1OCC)[nH]c(=S)n(c2=O)Cc1ccc(cc1)C(=O)NCc1ccc(cc1)Cl CCOc1cc2NC(=S)N(Cc3ccc(cc3)C(=O)NCc4ccc(Cl)cc4)C(=O)c2cc1OCC InChIKey=ZUPKLBCTYPNOJI-UHFFFAOYSA-N InChI=1S/C27H26ClN3O4S/c1-3-34-23-13-21-22(14-24(23)35-4-2)30-27(36)31(26(21)33)16-18-5-9-19(10-6-18)25(32)29-15-17-7-11-20(28)12-8-17/h5-14H,3-4,15-16H2,1-2H3,(H,29,32)(H,30,36) InChI=1/C27H26ClN3O4S/c1-3-34-23-13-21-22(14-24(23)35-4-2)30-27(36)31(26(21)33)16-18-5-9-19(10-6-18)25(32)29-15-17-7-11-20(28)12-8-17/h5-14H,3-4,15-16H2,1-2H3,(H,29,32)(H,30,36)/f/h29-30H CCOc1cc2c(cc1OCC)[nH]c(=S)n(c2=O)Cc3ccc(cc3)C(=O)NCc4ccc(cc4)Cl C01[X(C27H26Cl1N3O4S1)] 180 C01 600 CCOc1cc2c(cc1OCC)[nH]c(=S)n(c2=O)Cc1ccc(cc1)C(=O)NCc1ccc(cc1)Cl CCOc1cc2c(cc1OCC)N[C@@H](N(C2=O)Cc1ccc(cc1)C(=O)NCc1ccc(cc1)Cl)S CCOc1cc2N[C@H](S)N(Cc3ccc(cc3)C(=O)NCc4ccc(Cl)cc4)C(=O)c2cc1OCC InChIKey=QQPPRHBDBPPSPV-MHZLTWQESA-N InChI=1S/C27H28ClN3O4S/c1-3-34-23-13-21-22(14-24(23)35-4-2)30-27(36)31(26(21)33)16-18-5-9-19(10-6-18)25(32)29-15-17-7-11-20(28)12-8-17/h5-14,27,30,36H,3-4,15-16H2,1-2H3,(H,29,32)/t27-/m0/s1 InChI=1/C27H28ClN3O4S/c1-3-34-23-13-21-22(14-24(23)35-4-2)30-27(36)31(26(21)33)16-18-5-9-19(10-6-18)25(32)29-15-17-7-11-20(28)12-8-17/h5-14,27,30,36H,3-4,15-16H2,1-2H3,(H,29,32)/t27-/m0/s1/f/h29H 3788.1402660494 -2357.4393789 1-A 36754.1557 137 463 600 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1327.5398 1341.7531 1367.6515 1371.7300 1396.1866 1404.3371 1407.7266 1434.0607 1434.3671 1455.8577 1458.9917 1490.6755 1520.4317 1526.7779 1529.3033 1542.3971 1546.6261 1554.6183 1571.5063 1575.9232 1585.8723 1586.5615 1605.3861 1628.0204 1628.7002 1643.6633 1644.9991 1646.6946 1662.7561 1673.5371 1674.0477 1678.1577 1682.1538 1698.7802 1706.7409 1717.6016 1766.7217 1772.5558 1809.9568 1812.9493 1823.0959 1824.2381 1942.7772 1954.3200 3203.6834 3209.8719 3218.5859 3218.7368 3221.3301 3243.4500 3252.5691 3285.4081 3288.5423 3298.5196 3302.0275 3303.5587 3324.4542 3366.4417 3372.7818 3374.1354 3384.7928 3399.4670 3400.9065 3402.0874 3404.2963 3408.9550 3415.2960 3439.4075 3868.5687 3881.8467 8.0648 5.2482 6.1619 4.3043 6.4515 4.8590 5.2114 6.1805 4.9163 6.0651 5.2873 5.2963 3.7799 1.9992 3.8805 2.6105 2.8747 7.8661 7.3922 5.2834 6.7221 8.2434 6.5480 5.4515 2.4162 1.2270 3.3420 2.2175 4.2807 3.8704 5.9475 5.9578 6.4918 4.3312 4.1964 4.2832 5.6018 6.7106 5.4272 7.5638 3.1297 2.9854 2.4322 4.3434 3.2124 3.8625 1.3244 5.9853 3.8931 4.8616 4.1507 6.4075 1.8528 1.9745 6.6981 6.4276 5.5489 4.7064 6.1918 7.7676 6.3212 5.0262 3.9101 3.7093 4.3489 5.9224 6.1514 5.3363 4.5468 1.1695 1.8947 1.6251 1.4185 1.5392 1.2512 2.6216 1.3081 3.5654 1.9353 2.2364 2.3950 1.3777 2.5108 1.7958 1.6188 1.3749 1.4159 3.5290 3.6627 2.2983 1.5293 3.9436 3.0167 4.1716 2.2591 1.9922 2.7904 4.2084 2.1594 2.4601 3.6713 2.7187 2.6349 1.5150 1.5186 1.1677 4.4620 1.5597 2.4293 2.9388 2.8359 2.4127 1.1953 2.4670 5.2278 2.0850 1.6390 1.0972 1.0965 1.3066 1.4765 1.5162 3.3609 1.9791 1.6966 1.5319 1.2473 2.2650 2.1998 2.3349 1.4004 1.4076 2.7806 1.0403 1.0408 1.0583 1.0591 1.1484 1.1122 1.5437 1.7098 1.1336 2.0112 2.3208 2.1944 2.7730 5.9987 6.2883 5.4636 6.9697 5.4090 5.3984 10.2761 12.2048 1.0549 1.0539 1.0715 1.0384 1.0395 1.1095 1.1099 1.1025 1.1023 1.1053 1.0947 1.1056 1.0627 1.0909 1.0904 1.0906 1.1068 1.0901 1.0952 1.0957 1.0946 1.0919 1.0957 1.0921 1.0794 1.0783 0.0001 0.0005 0.0008 0.0014 0.0022 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11.6407 10.5454 13.4969 10.5922 10.5847 22.8520 27.4645 6.3794 6.3976 6.5399 6.3388 6.3555 6.8771 6.9182 7.0117 7.0238 7.0856 7.0324 7.1089 6.9201 7.2840 7.3081 7.3156 7.4710 7.4225 7.4630 7.4719 7.4742 7.4763 7.5301 7.6113 9.5177 9.5738 0.1303 0.5036 0.2452 0.0363 0.6472 1.0761 1.9574 2.2096 0.2635 1.9012 7.0247 0.1756 1.0281 3.3611 0.6318 0.5433 0.2612 5.4834 1.3456 7.3218 0.9858 6.0754 1.8245 0.1128 1.0512 0.9497 10.0122 1.7574 1.0688 1.3195 0.4094 4.3558 18.6191 1.2385 3.4333 9.9615 13.2637 12.2423 28.4798 1.7235 0.3302 0.6161 3.2424 11.3877 0.7043 16.3931 100.2737 5.7589 39.4947 5.9754 15.0178 43.2457 31.0588 52.5991 0.1745 0.6926 12.0044 12.5688 6.6952 18.6542 4.6878 0.2054 39.7642 5.3349 22.6650 25.9874 41.4053 21.6879 20.8146 7.1623 14.9956 8.2053 41.8004 67.2136 1.1118 12.4361 1.6112 2.7979 16.9631 12.1777 32.4838 26.4374 29.4151 12.0485 1.3776 0.5027 6.4534 31.9916 25.1617 8.9296 2.9335 58.9775 32.7374 8.3244 7.7588 2.4166 54.2842 103.4579 32.6658 3.4101 65.3851 220.5148 1.2462 3.3169 8.0123 2.1918 81.7898 17.5322 12.6668 17.4336 27.3489 44.3411 2.7761 415.2737 320.7389 352.4769 47.1079 0.0571 2.7326 18.0129 85.5297 191.4427 13.6583 437.5596 73.6948 59.0069 40.1964 210.5687 8.3225 0.5465 115.1916 47.0195 133.2068 1.7959 6.6155 1.9734 11.8883 95.0954 19.9517 219.1410 100.1250 73.8108 184.1720 391.7585 297.8959 639.1484 11.7898 1.5105 9.7881 79.2453 89.7250 155.5790 388.9070 444.8677 24.7071 25.2859 37.2792 32.8193 27.6184 32.5063 31.2864 38.8929 29.2451 42.6055 7.6614 42.4278 7.7558 12.5850 15.4283 8.4826 0.4866 1.3148 9.6038 0.7911 3.1066 5.3854 3.1077 6.1388 92.7446 25.5364 2.9803 3.1259 1.3743 5.7737 3.2160 2.6686 1.2735 2.3232 5.9018 1.4474 1.0679 0.3179 0.6201 0.2556 0.5939 0.1837 0.1975 0.1259 0.7998 0.9587 0.7389 1.6017 1.4948 0.7140 0.8561 0.0308 1.8637 1.9543 2.6699 1.1196 2.8039 2.7789 2.0925 2.0826 3.1798 2.3982 1.1809 1.4772 2.8309 1.7744 0.2943 0.1852 1.0658 0.9614 2.3800 0.6704 1.7813 3.2341 1.3469 3.4731 0.2068 1.1440 1.4633 1.0427 7.0272 7.7567 1.6488 2.3838 1.7385 5.2574 10.5842 0.2365 1.2140 1.2817 13.0518 8.7727 1.1565 13.8171 4.1607 1.0008 5.4759 4.4154 2.3939 2.8845 2.5278 8.5310 2.1282 27.1057 2.5748 14.0258 2.6590 3.2790 2.3891 2.8439 0.7192 0.1033 4.4344 0.5653 5.0408 2.6027 1.1172 1.5287 20.2035 9.8740 3.3930 0.6439 12.9133 3.1606 2.8175 19.7582 23.9897 14.1450 1.3072 1.5780 0.7264 3.0741 14.4076 4.4371 18.7423 25.9022 6.4737 12.8913 9.0842 42.0634 4.4215 32.3703 3.0389 14.5332 12.0124 1.1897 17.3181 20.9270 197.0028 65.4707 10.7029 4.3407 0.9613 7.8968 0.3871 2.6888 14.8903 5.9315 6.1084 23.9950 22.2238 26.2799 12.3907 24.7528 11.3065 15.9000 4.9817 5.1710 7.6190 22.2171 2.7448 101.1830 3.6020 4.4617 51.4149 182.5187 180.3846 63.4124 38.9285 92.7051 30.4381 30.4666 56.2045 154.2528 182.0585 51.6766 55.3543 82.0676 92.0077 41.9739 62.8239 43.5481 65.8367 60.0397 65.3565 59.1224 24.5678 45.6003 39.7088 171.8820 55.9297 59.4476 103.5819 41.2666 43.3381 26.1439 0.7483 0.7308 0.7394 0.7486 0.7497 0.7334 0.7471 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12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 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 13504.9385 60833.2167 62590.5273 0.99992 0.01157 -0.00510 -0.01156 0.99993 0.00210 0.00512 -0.00204 0.99998 1 0.00641 0.00142 0.00138 0.13364 0.02967 0.02883 4.76 18.34 20.98 33.72 34.89 46.42 60.85 72.91 99.30 109.77 121.51 139.47 148.48 157.14 171.12 171.67 173.18 199.31 238.10 252.62 303.91 322.06 335.32 347.61 386.77 397.19 400.97 404.56 417.90 429.87 456.70 468.40 498.52 520.99 541.72 576.69 609.38 647.68 653.45 659.08 661.69 663.03 682.38 708.32 731.87 764.52 776.59 815.91 863.72 876.99 884.31 942.83 973.34 983.91 1003.02 1006.13 1022.44 1041.77 1042.74 1054.33 1070.29 1128.91 1141.21 1148.08 1214.95 1227.59 1235.47 1251.53 1285.52 1295.22 1299.86 1302.06 1346.49 1348.54 1364.11 1379.79 1392.30 1405.64 1423.78 1436.79 1467.56 1474.67 1521.11 1538.99 1568.34 1589.18 1597.18 1601.76 1611.12 1612.08 1618.48 1669.02 1684.16 1688.82 1712.54 1729.19 1736.05 1789.33 1792.98 1801.96 1809.81 1823.38 1844.18 1869.78 1870.37 1876.72 1881.48 1892.64 1895.26 1908.82 1910.03 1930.48 1967.75 1973.61 2008.80 2020.53 2025.40 2063.29 2063.73 2094.65 2099.16 2144.75 2187.56 2196.69 2200.33 2219.17 2225.25 2236.75 2261.05 2267.40 2281.72 2282.71 2309.79 2342.36 2343.34 2364.86 2366.79 2369.23 2392.34 2407.85 2408.58 2414.49 2420.24 2444.17 2455.62 2471.25 2541.92 2550.31 2604.12 2608.43 2623.03 2624.67 2795.22 2811.83 4609.39 4618.29 4630.83 4631.04 4634.78 4666.60 4679.72 4726.97 4731.48 4745.83 4750.88 4753.08 4783.15 4843.56 4852.68 4854.63 4869.96 4891.07 4893.15 4894.84 4898.02 4904.73 4913.85 4948.54 5566.01 5585.11 0.528126 0.559643 0.560587 0.457425 -2356.911253 -2356.879736 -2356.878792 -2356.981953 3.460037D-04 MUNgauss RevisionA2.0 retrievium 02-Mar-2020 DUDE CCOc1cc2c(cc1OCC)[nH]c(=S)n(c2=O)Cc3ccc(cc3)C(=O)NCc4ccc(cc4)Cl C03010305 RHF 6-31G(d) (6D,10F) C1 523.133256 |X|Y|Z| 65.365753 58.011447 170.634407 86.492183 26 6 7 23 3 |36.858105| |12.577772|36.858105| |8.081391|13.535635|73.516695| |5.242746|8.016673|25.211438|36.858105| |4.411705|6.720538|14.062808|13.979745|36.858105| |3.332760|4.491649|9.218041|7.917792|13.532532|36.858105| |2.978664|3.786774|8.218492|6.848631|7.930130|13.926147|36.858105| |3.193559|3.966470|9.386813|7.838332|6.841406|7.918690|13.612175|36.858105| |4.075088|5.220739|14.483036|13.352466|7.920232|6.869987|7.955146|13.858461|36.858105| |4.143589|4.799586|13.208725|8.183765|5.328429|4.647466|5.229333|7.964757|14.334502|73.516695| |3.229361|3.546461|8.530384|5.216068|3.981574|3.791091|4.505905|6.731367|7.993913|24.002058|36.858105| |3.161758|3.242482|7.412455|4.089105|3.211049|2.985417|3.343475|4.419565|5.250917|14.363104|12.580826|36.858105| |2.452020|2.984759|6.154731|4.576122|5.210466|8.065480|13.786746|7.875611|5.199357|7.044212|3.723338|2.873798|53.358707| |2.271853|2.695245|5.590200|4.008974|4.270333|5.834837|9.222201|7.283505|4.787407|6.851428|3.832690|2.942984|26.034925|0.500000| |2.235438|2.699067|5.307132|3.773863|4.507562|6.758670|7.853451|5.170227|3.952828|5.606420|2.956732|2.395664|19.282530|0.267467|36.858105| |1.870705|2.182070|4.232591|2.860497|3.227296|4.236716|4.847206|3.810798|3.041188|4.582620|2.518934|2.099845|9.971244|0.202495|11.319618|388.023441| |2.374040|2.923551|5.553956|3.934343|5.097144|7.819105|6.909693|4.584495|3.804283|5.359274|2.727429|2.254318|11.272593|0.166433|13.984217|49.926339|53.358707| |2.847388|3.680296|6.911665|5.091768|7.642314|13.054609|7.804650|5.099142|4.501355|6.093087|2.950964|2.431846|9.459328|0.141636|7.801754|33.662144|18.431589|36.858105| |2.890399|3.734743|6.571365|4.530203|6.695295|8.137611|5.372593|4.017865|3.810157|5.384740|2.599351|2.208339|6.587434|0.107330|5.423611|27.254703|11.476339|15.923177|73.516695| |2.096746|2.515722|4.614084|3.096004|3.861043|5.047091|4.493827|3.378908|2.953256|4.357877|2.250018|1.918739|7.045561|0.118917|7.692197|43.585135|17.482519|7.801058|12.725928|36.858105| |2.004001|2.375021|4.297443|2.818514|3.442809|4.234450|3.790524|2.986877|2.673539|4.018560|2.081763|1.799479|5.722436|0.100387|5.591068|34.809046|10.336592|5.935198|10.544865|12.557434|36.858105| |2.065799|2.444470|4.293998|2.751186|3.376769|3.890654|3.339653|2.718298|2.529050|3.839877|1.964114|1.722060|4.716264|0.083568|4.209881|25.876276|7.609697|5.299160|10.753335|7.539708|13.698109|36.858105| |1.918328|2.222309|3.882034|2.430796|2.878377|3.191019|2.826792|2.389856|2.253454|3.494279|1.803604|1.602749|3.964550|0.072295|3.390811|21.847804|5.604504|3.973087|7.781230|5.010798|7.904046|13.774012|36.858105| |1.756843|2.009021|3.569840|2.233707|2.576147|2.881665|2.663442|2.282304|2.125281|3.329998|1.747489|1.555536|3.831742|0.071406|3.269337|22.146057|5.081594|3.445241|6.344345|4.417033|6.813317|7.919397|13.721928|36.858105| |1.717140|1.968507|3.568932|2.267429|2.603280|3.011529|2.873955|2.432413|2.206970|3.441515|1.827227|1.610551|4.313838|0.081029|3.804168|27.029892|5.699554|3.602934|6.301835|5.011002|7.905791|6.891933|7.956980|13.707660|36.858105| |1.818881|2.115835|3.876737|2.517443|2.950502|3.572117|3.412508|2.777321|2.460560|3.765662|1.992445|1.729982|5.330581|0.097829|5.084590|36.073010|7.840206|4.497024|7.592090|7.541101|13.698947|7.958334|6.887852|7.911649|13.765185|36.858105| |1.621851|1.820178|3.213704|1.970470|2.217736|2.407129|2.251855|1.988595|1.880613|3.002432|1.586091|1.432421|3.191616|0.060596|2.627058|18.069923|3.949496|2.756425|5.081696|3.277309|4.434309|5.067584|7.697518|12.690626|7.491702|5.005802|36.858105| |1.583425|1.763265|3.072234|1.859622|2.086353|2.221157|2.057567|1.833787|1.757818|2.824833|1.487084|1.354336|2.873975|0.054577|2.339925|15.975309|3.542591|2.530366|4.765371|2.934472|3.805188|4.541177|6.749511|8.057591|5.298038|4.010855|15.851871|73.516695| |1.535271|1.708355|3.050643|1.866702|2.063411|2.240216|2.146872|1.923360|1.810862|2.917991|1.559611|1.412855|3.066482|0.059173|2.487119|17.486248|3.608969|2.495825|4.480714|2.901184|3.752671|3.961367|5.220237|7.837637|6.555081|4.455607|14.014857|15.104185|53.358707| |1.426067|1.564191|2.780746|1.676935|1.825079|1.944694|1.872282|1.709876|1.629009|2.661577|1.429307|1.310534|2.643575|0.051502|2.100941|14.799342|3.015387|2.121437|3.821163|2.380527|2.928919|3.106420|3.904400|5.026124|4.376295|3.327190|7.793200|12.302306|17.868595|36.858105| |1.324353|1.443183|2.590365|1.561146|1.678022|1.793485|1.758935|1.623150|1.538240|2.533599|1.377015|1.266855|2.506407|0.049528|1.976670|14.229946|2.770062|1.928575|3.418792|2.159656|2.581816|2.632535|3.128006|3.928046|3.773933|2.982646|5.141812|8.088785|10.615535|12.588880|36.858105| |1.297838|1.403292|2.525661|1.511968|1.605321|1.699818|1.678661|1.570810|1.497253|2.488772|1.359327|1.258840|2.372965|0.047202|1.839241|13.166206|2.551874|1.795344|3.165692|1.947996|2.276916|2.312906|2.678873|3.219511|3.128371|2.582340|3.963474|6.431070|7.345837|7.547842|13.748921|36.858105| |1.210096|1.301253|2.354883|1.407260|1.481368|1.569411|1.567397|1.479046|1.406513|2.354489|1.298047|1.207263|2.226490|0.044743|1.715308|12.448186|2.347121|1.643407|2.876369|1.780371|2.038644|2.036221|2.295570|2.707274|2.715614|2.311077|3.163008|5.171038|5.520797|5.004746|7.884335|13.725261|36.858105| |1.155877|1.244734|2.258367|1.354605|1.428556|1.524716|1.530365|1.439259|1.359518|2.272960|1.258254|1.168041|2.197495|0.044362|1.705737|12.608471|2.319610|1.604842|2.800201|1.774645|2.021301|1.991356|2.222250|2.633549|2.707442|2.317248|3.015747|4.903748|5.184797|4.440245|6.859643|7.984528|13.814150|36.858105| |1.173089|1.270754|2.301658|1.388093|1.477308|1.589478|1.589018|1.477951|1.388660|2.304904|1.271305|1.173590|2.300547|0.046251|1.812356|13.529239|2.477435|1.695914|2.966964|1.928366|2.222800|2.181059|2.454288|2.974883|3.089661|2.590671|3.438220|5.515118|6.006319|5.012466|7.887395|6.886483|7.921454|13.748065|36.858105| |1.252264|1.364867|2.459637|1.487695|1.599292|1.724176|1.704170|1.568760|1.475243|2.429842|1.328438|1.220668|2.461174|0.048946|1.958251|14.446718|2.718711|1.862652|3.284443|2.143543|2.537933|2.527710|2.935361|3.690038|3.732589|2.984661|4.535569|7.113921|8.586660|7.547991|13.679588|7.980379|6.881585|7.980776|13.791571|36.858105| |1.064680|1.138906|2.074005|1.239178|1.294902|1.377890|1.395097|1.325446|1.252853|2.112194|1.179506|1.101851|2.004647|0.040850|1.542234|11.496120|2.074339|1.436050|2.494202|1.573475|1.751703|1.711010|1.866132|2.153110|2.237961|1.983263|2.377254|3.923198|3.871882|3.156942|4.213540|4.769239|7.039587|10.922985|7.031967|4.772262|448.794386| |17.556562|8.882455|10.251548|4.248289|3.853930|3.000481|2.654984|2.767915|3.376503|5.984920|2.730606|2.681960|3.041164|0.057465|2.078175|12.490877|3.037522|2.661971|4.921827|2.010699|1.937542|2.025295|1.893645|1.723458|1.667333|1.753710|1.601432|2.804936|2.052870|1.407472|1.301449|1.273854|1.185124|1.130982|1.148742|1.228767|8.352678|0.500000| |17.580439|8.866038|12.950947|4.886712|4.030940|3.133658|2.869961|3.132057|3.999904|7.509413|3.330279|3.339702|3.237270|0.061784|2.156315|12.934232|3.079545|2.671235|4.758417|1.998753|1.934497|1.989239|1.869689|1.730533|1.692825|1.778321|1.609968|2.788141|2.091386|1.434337|1.336714|1.318846|1.231211|1.171093|1.182122|1.258909|8.669993|0.300387|0.500000| |17.580390|8.865962|12.950887|4.886466|4.030809|3.133325|2.869704|3.131829|3.999651|7.509137|3.330146|3.339632|3.237494|0.061827|2.156007|12.941676|3.076681|2.671069|4.763310|1.995962|1.885190|1.921406|1.777876|1.638026|1.614312|1.718088|1.511611|2.620433|1.954575|1.335521|1.248023|1.223135|1.146761|1.100383|1.117174|1.187188|8.180359|0.300383|0.300956|0.500000| |8.842022|17.543051|16.533605|7.134034|6.816491|4.600821|3.766057|3.801823|4.768845|7.565517|3.247310|2.946996|4.080602|0.074510|2.756000|15.775261|4.139304|3.878688|7.165032|2.636789|2.545991|2.670759|2.445369|2.190550|2.118539|2.257594|1.985360|3.424143|2.521912|1.692497|1.547572|1.503488|1.383642|1.316176|1.343625|1.452142|9.599914|0.212510|0.212066|0.173353|0.500000| |8.842081|17.542888|16.533572|7.133288|6.815872|4.599771|3.765479|3.801416|4.768420|7.565239|3.247187|2.946949|4.081049|0.074585|2.755356|15.788769|4.132358|3.878183|7.181773|2.630392|2.436621|2.512979|2.249973|2.011389|1.970378|2.138026|1.809121|3.126814|2.292012|1.536314|1.414346|1.366054|1.266868|1.218086|1.250455|1.345033|8.947495|0.212510|0.173355|0.212066|0.300973|0.500000| |4.668550|7.398988|12.462751|8.940016|17.794269|8.953988|5.681579|4.942538|5.612592|7.601581|3.317377|2.806028|5.777162|0.098596|3.948263|20.836298|6.388699|7.138071|13.340174|3.799994|3.457136|3.548191|3.018729|2.630007|2.590745|2.899275|2.270728|3.848642|2.832817|1.845236|1.678019|1.599301|1.467188|1.411557|1.462909|1.592873|10.230683|0.117891|0.114761|0.114765|0.225896|0.225929|0.500000| |2.797967|3.313084|7.572635|5.584896|4.939885|5.654728|8.893364|17.771748|8.921651|12.614305|7.477847|4.698730|9.787394|0.218335|4.769839|26.996167|5.459073|4.157417|5.980039|3.064771|2.734706|2.464460|2.198067|2.137967|2.305416|2.615069|1.880364|3.074875|2.506746|1.646272|1.581620|1.537981|1.461005|1.427606|1.461292|1.537646|10.638571|0.068058|0.077264|0.077260|0.088242|0.088236|0.107425|0.500000| |2.935823|3.245381|7.553734|4.757348|3.810740|3.765961|4.607801|6.817261|7.101655|16.530544|17.553616|8.841097|5.327542|0.114325|3.077574|18.795940|3.796775|2.961940|4.593668|2.295782|2.150411|2.014475|1.861737|1.823807|1.921085|2.087617|1.656712|2.741806|2.235883|1.503164|1.454954|1.441552|1.378714|1.334183|1.343820|1.401571|10.037756|0.070094|0.085163|0.081938|0.085470|0.082212|0.088303|0.227907|0.500000| |2.935683|3.245270|7.553556|4.757239|3.810731|3.765614|4.607329|6.816601|7.101277|16.530497|17.553684|8.841224|5.329230|0.114617|3.076948|18.820469|3.791630|2.961847|4.598190|2.291652|2.083274|1.944079|1.770960|1.716369|1.808478|1.991952|1.550004|2.581701|2.070824|1.390439|1.342498|1.318978|1.262971|1.232224|1.250530|1.304462|9.298129|0.070090|0.081937|0.085154|0.082213|0.085464|0.088305|0.227911|0.300565|0.500000| |2.682654|2.739403|6.011697|3.382629|2.778665|2.657820|3.005379|3.856264|4.248007|10.249152|8.888602|17.558254|3.645158|0.077664|2.252774|14.371885|2.852684|2.215550|3.578404|1.801892|1.694422|1.613457|1.509031|1.476605|1.536671|1.645773|1.365585|2.292899|1.844471|1.261363|1.227980|1.223680|1.180751|1.145743|1.148557|1.187850|8.731014|0.064720|0.078333|0.078331|0.070304|0.070303|0.068197|0.118432|0.212440|0.212443|0.500000| |3.344170|3.349223|7.575322|4.020766|3.152603|2.878924|3.145984|4.040644|4.902063|12.955166|8.868982|17.585094|3.672691|0.075903|2.279908|14.205948|2.956286|2.361907|3.856042|1.861330|1.734230|1.668623|1.548031|1.492020|1.537171|1.653521|1.374127|2.322380|1.834369|1.251755|1.206377|1.195140|1.145106|1.109827|1.117996|1.164252|8.406564|0.078385|0.096431|0.101797|0.082349|0.085616|0.077553|0.115486|0.173383|0.212190|0.300361|0.500000| |3.344375|3.349336|7.575474|4.020808|3.152591|2.879062|3.146114|4.040752|4.902152|12.955111|8.868942|17.585046|3.672118|0.075817|2.280151|14.195341|2.958706|2.361943|3.853361|1.863531|1.772328|1.712434|1.607475|1.560878|1.604440|1.706945|1.446726|2.436680|1.945981|1.331983|1.285881|1.283912|1.229131|1.182464|1.183062|1.231625|8.940443|0.078390|0.101806|0.096437|0.085618|0.082351|0.077551|0.115484|0.212186|0.173384|0.300359|0.300971|0.500000| |2.148920|2.584885|4.641525|3.071060|3.878414|4.835667|4.103865|3.163364|2.851448|4.230454|2.160976|1.861130|6.023798|0.102923|5.894980|33.945055|12.564283|7.559340|14.520851|17.695620|8.892260|7.221425|4.758173|3.978736|4.209213|5.642437|3.047705|5.008369|3.620564|2.223967|2.005215|1.814429|1.658451|1.649504|1.787088|1.984041|11.788083|0.057752|0.056215|0.056881|0.075017|0.076621|0.110049|0.078948|0.060361|0.061191|0.048358|0.050693|0.050219|0.500000| |1.911734|2.254091|4.169878|2.767656|3.319348|4.250517|4.057814|3.142484|2.714192|4.073734|2.146361|1.837449|6.712995|0.118827|7.502872|52.733830|12.524838|5.795625|9.280932|17.728914|8.874409|5.707232|4.236198|3.974786|4.710644|7.072581|3.036047|4.827474|3.742211|2.274117|2.101068|1.892895|1.749514|1.765370|1.929263|2.123366|12.665833|0.050891|0.050803|0.051078|0.064753|0.065326|0.089386|0.081480|0.060944|0.061424|0.048404|0.049515|0.049262|0.302374|0.500000| |2.210034|2.641735|4.548095|2.897545|3.634354|4.075889|3.356477|2.736705|2.594515|3.925016|1.981227|1.741851|4.580055|0.080488|3.987860|23.782906|7.420587|5.692541|13.115089|7.006781|8.921968|17.752884|8.943470|5.644741|4.964632|5.657290|4.137200|6.985890|4.519687|2.723521|2.329474|2.080593|1.846329|1.800878|1.952020|2.232223|12.569404|0.060632|0.058378|0.056918|0.080434|0.076738|0.110086|0.068016|0.055772|0.054494|0.045062|0.047262|0.048087|0.218715|0.145247|0.500000| |1.916130|2.199614|3.774640|2.319438|2.721591|2.913276|2.562111|2.209542|2.124880|3.329017|1.711518|1.537013|3.512798|0.064498|2.918681|18.771422|4.758617|3.524519|7.088675|4.084716|5.628789|8.907749|17.752336|8.957566|5.664749|4.962639|7.223077|13.426941|6.593879|3.858379|3.023819|2.613291|2.225489|2.132792|2.333962|2.789263|14.397372|0.053128|0.051861|0.049088|0.067726|0.061875|0.080806|0.056387|0.048815|0.046480|0.040139|0.041411|0.043034|0.112845|0.097604|0.215002|0.500000| |1.596026|1.808540|3.299434|2.081092|2.339151|2.680756|2.626421|2.270390|2.056477|3.248092|1.747413|1.548785|3.973573|0.076546|3.424349|25.503458|4.872371|3.091558|5.326827|4.098558|5.645932|4.962993|5.644559|8.873064|17.721772|8.974086|6.856586|8.642225|9.792263|4.757695|4.328775|3.503415|3.059933|3.110165|3.641188|4.449844|20.295941|0.042991|0.043960|0.041866|0.053719|0.050025|0.064069|0.060738|0.051329|0.048076|0.041346|0.040927|0.042876|0.097051|0.112009|0.107741|0.124248|0.500000| 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|1.574439|1.758845|3.175425|1.958966|2.159928|2.371508|2.302297|2.058953|1.919419|3.084237|1.655493|1.490740|3.320913|0.064342|2.690579|19.023384|3.840901|2.622924|4.615337|3.033888|3.922763|3.957112|4.955535|7.440404|7.264513|4.867711|9.399018|10.943023|26.072922|9.083586|7.266926|5.426597|4.189604|3.936462|4.481806|6.088819|23.685657|0.042667|0.043907|0.040938|0.052913|0.047939|0.059798|0.055000|0.048806|0.044818|0.039769|0.039281|0.041880|0.075696|0.080120|0.091305|0.122484|0.240882|0.119395|0.500000| 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