Version2.0 2020-04-15T09:19:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 01-Apr-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@H](c2ccccc2C)N(c3ccccc3Cl)C(=O)C=C(C)C C36546798 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@H](c2ccccc2C)N(c3ccccc3Cl)C(=O)C=C(C)C C01[X(C28H29Cl1N2O4S1)] 189 C1 606 CC(=CC(=O)N(c1ccccc1Cl)[C@@H](c1ccccc1C)C(=O)NCS(=O)(=O)c1ccc(cc1)C)C CC(=CC(=O)N(c1ccccc1Cl)[C@@H](c1ccccc1C)C(=O)NCS(=O)(=O)c1ccc(cc1)C)C CC(C)=CC(=O)N([C@H](C(=O)NC[S](=O)(=O)c1ccc(C)cc1)c2ccccc2C)c3ccccc3Cl InChIKey=LZWRYSQFPFUGPO-MHZLTWQESA-N InChI=1S/C28H29ClN2O4S/c1-19(2)17-26(32)31(25-12-8-7-11-24(25)29)27(23-10-6-5-9-21(23)4)28(33)30-18-36(34,35)22-15-13-20(3)14-16-22/h5-17,27H,18H2,1-4H3,(H,30,33)/t27-/m0/s1 InChI=1/C28H29ClN2O4S/c1-19(2)17-26(32)31(25-12-8-7-11-24(25)29)27(23-10-6-5-9-21(23)4)28(33)30-18-36(34,35)22-15-13-20(3)14-16-22/h5-17,27H,18H2,1-4H3,(H,30,33)/t27-/m0/s1/f/h30H Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@H](c2ccccc2C)N(c3ccccc3Cl)C(=O)C=C(C)C C01[X(C28H29Cl1N2O4S1)] 189 C01 606 CC(=CC(=O)N(c1ccccc1Cl)[C@@H](c1ccccc1C)C(=O)NCS(=O)(=O)c1ccc(cc1)C)C CC(=CC(=O)N(c1ccccc1Cl)[C@@H](c1ccccc1C)C(=O)NC[S@@](=O)(c1ccc(cc1)C)O)C CC(C)=CC(=O)N([C@H](C(=O)NC[S](O)(=O)c1ccc(C)cc1)c2ccccc2C)c3ccccc3Cl InChIKey=NWKLMRLTSVMIQP-WXFUMESZSA-N InChI=1S/C26H34N6O3S/c1-16-6-9-18(10-7-16)22-23(29-26(2,3)4)32-24(28-22)36-25(30-32)31(5)14-21(33)27-13-17-8-11-19-20(12-17)35-15-34-19/h6-12,22-24,28-29H,13-15H2,1-5H3,(H,27,33)/t22-,23-,24-/m1/s1 InChI=1/C26H34N6O3S/c1-16-6-9-18(10-7-16)22-23(29-26(2,3)4)32-24(28-22)36-25(30-32)31(5)14-21(33)27-13-17-8-11-19-20(12-17)35-15-34-19/h6-12,22-24,28-29H,13-15H2,1-5H3,(H,27,33)/t22-,23-,24-/m1/s1/f/h27H 4500.9755398224 -2342.4879375 1-A 18380.7094 138 468 606 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864.2382 878.4509 891.2937 903.7039 920.7767 931.9087 953.3071 964.6751 970.0684 991.8883 995.3486 1007.9686 1061.5777 1085.1453 1091.9084 1095.1016 1096.6932 1099.0174 1102.7804 1104.7133 1110.6051 1114.2011 1122.8873 1130.6890 1131.6201 1139.6758 1145.7759 1156.6489 1167.3027 1173.0462 1187.7282 1192.1475 1200.4313 1203.5668 1204.7884 1206.5329 1220.4327 1222.4421 1240.4885 1249.4157 1252.6476 1294.3929 1307.7059 1311.9416 1313.5057 1317.9069 1327.9879 1331.0856 1336.8161 1348.0714 1367.5684 1385.7891 1408.7105 1415.6695 1436.3721 1444.6192 1461.7336 1488.6996 1523.4933 1536.8648 1560.0449 1566.6972 1566.8896 1569.7017 1576.1594 1583.5014 1607.5133 1608.4357 1614.7886 1617.9436 1627.0973 1632.0818 1632.8061 1636.2607 1640.2449 1644.2176 1650.0775 1657.0215 1667.7321 1677.4621 1723.1649 1765.7367 1768.6876 1777.0107 1796.5751 1806.6873 1809.7860 1863.2192 1891.2019 1969.7848 3197.2096 3207.5224 3207.7574 3208.9604 3247.9041 3259.2221 3261.0026 3263.7117 3265.4841 3288.4608 3288.8962 3291.2214 3349.6409 3349.8176 3353.0448 3365.4392 3367.7974 3369.9467 3372.6515 3378.7010 3382.3486 3383.5423 3386.9207 3404.5046 3409.8813 3410.5539 3420.4642 3442.8992 3874.8646 4.7541 7.3373 4.8748 1.0582 5.1463 3.3300 4.5088 4.3646 4.0393 5.5821 5.4114 6.1895 3.7604 4.9277 6.4671 2.7471 3.5156 2.6287 4.0305 5.4006 2.7096 1.8453 1.6513 1.9044 2.7604 2.8816 5.0733 4.0836 4.7427 4.5118 4.5214 6.1380 4.3201 5.5035 4.3148 4.5124 3.7087 6.2767 4.7295 4.3562 3.3812 3.2481 2.9651 3.6818 4.7621 3.2271 4.0327 3.4870 3.6888 1.4489 3.2211 5.1926 6.3087 4.1588 3.8817 4.8235 4.5684 5.0704 6.8638 5.6894 5.8791 4.6725 3.5133 4.3535 3.8630 3.7175 3.7064 3.0730 2.0396 1.4943 2.8083 4.0695 3.6957 3.5851 3.9146 1.4426 2.1605 1.2609 3.2020 1.3998 1.3459 2.9789 1.4204 1.6314 1.6564 1.6597 1.5133 1.3210 1.8824 1.9343 2.0727 2.5404 1.3342 1.4611 1.6244 2.1971 3.6944 2.4676 1.5637 1.5807 3.0159 3.7653 3.1354 2.7818 2.0994 1.8271 3.3312 1.7193 1.8125 1.8327 4.9076 1.7502 2.2170 1.4009 1.3439 2.0863 2.8848 1.9274 2.0139 2.5683 1.1772 2.0428 2.8129 2.1023 6.1071 1.5907 1.3315 1.4290 1.4762 1.7283 2.3116 1.3276 1.2697 1.2307 1.2912 1.4884 1.3195 1.5873 1.7504 1.0532 1.0466 1.0657 1.0670 1.0744 1.0555 1.0819 1.2141 2.6388 2.1781 2.2451 1.7115 5.5898 5.8402 5.2960 5.5925 5.2564 5.3251 7.5468 9.4555 8.5373 1.0390 1.0413 1.0390 1.0439 1.1010 1.0997 1.0656 1.0976 1.0998 1.1028 1.1036 1.1018 1.0972 1.1023 1.0877 1.0913 1.0923 1.0883 1.0917 1.0848 1.0903 1.0976 1.0938 1.0954 1.0942 1.0960 1.0944 1.0934 1.0789 0.0007 0.0012 0.0012 0.0004 0.0029 0.0026 0.0042 0.0049 0.0071 0.0126 0.0146 0.0180 0.0133 0.0252 0.0451 0.0231 0.0427 0.0332 0.0582 0.0989 0.0509 0.0385 0.0357 0.0456 0.0702 0.0921 0.1769 0.1588 0.1956 0.2157 0.2328 0.3343 0.2705 0.3559 0.3106 0.3399 0.2933 0.5637 0.4798 0.4903 0.3911 0.3948 0.3651 0.5019 0.6714 0.4891 0.6466 0.5678 0.6101 0.2565 0.5803 0.9427 1.1857 0.8322 0.8236 1.1007 1.1322 1.3835 1.9560 1.6435 1.8320 1.6380 1.2726 1.6121 1.4385 1.4632 1.4887 1.2859 0.8697 0.6546 1.2358 1.8503 1.7298 1.7251 1.9554 0.7382 1.1568 0.6913 1.7753 0.8114 0.7856 1.7832 0.9431 1.1318 1.1636 1.1727 1.0724 0.9400 1.3488 1.3908 1.5063 1.8581 0.9912 1.1006 1.2256 1.6813 2.8575 1.9450 1.2554 1.2815 2.5067 3.1529 2.6620 2.3742 1.7954 1.5670 2.9233 1.5137 1.6433 1.6856 4.5371 1.7277 2.2338 1.4206 1.3661 2.1350 2.9975 2.0120 2.1205 2.7499 1.2972 2.3114 3.2889 2.4824 7.4236 1.9559 1.6762 1.8659 2.0187 2.4052 3.3146 1.9199 1.8366 1.7866 1.8899 2.1989 2.0090 2.4195 2.6891 1.6243 1.6326 1.6725 1.6761 1.6948 1.6731 1.7232 1.9476 4.2689 3.5693 3.7221 2.9942 10.2683 10.7642 9.8533 10.6352 10.1090 10.2762 15.4362 19.9255 19.5169 6.2575 6.3121 6.2992 6.3335 6.8429 6.8828 6.6762 6.8885 6.9095 7.0263 7.0336 7.0321 7.2534 7.2879 7.2049 7.2824 7.2992 7.2818 7.3161 7.2960 7.3492 7.4038 7.3929 7.4805 7.4962 7.5114 7.5439 7.6362 9.5443 1.0813 1.1321 0.2048 0.0108 2.3348 0.4194 1.1615 2.2301 0.3921 1.3936 0.6029 0.4603 0.8729 3.0210 2.3087 1.9161 0.4956 2.7554 3.2397 2.6803 0.2028 2.8164 0.4215 0.9342 1.2452 2.5466 1.3102 3.4068 4.3438 2.5822 5.5251 6.8783 2.3613 3.8423 2.5170 4.8026 6.4801 8.0124 0.7560 11.5842 6.6732 0.6180 0.5589 11.7884 2.4269 19.3836 11.8921 7.1887 12.8899 148.4351 4.5336 5.7576 41.2092 22.8999 10.0225 47.9173 51.7942 29.4463 0.7539 2.6686 17.8734 24.9937 7.5818 7.9322 0.7456 3.7543 80.6454 27.0814 38.3195 18.0634 6.4554 5.7001 57.3534 4.7438 7.5552 19.0137 16.6076 1.1820 9.2592 1.7810 3.6432 64.9573 1.1278 4.2317 2.6108 0.9672 0.7329 7.1156 16.7241 1.4116 19.4039 5.4762 0.2068 3.2201 0.5827 4.1772 15.8827 5.4540 3.1684 13.8738 28.8207 38.5886 2.3627 3.0035 14.0612 0.2489 10.1670 7.0740 8.8611 20.4229 173.3482 7.2308 55.3298 10.0947 2.6717 4.8433 12.4274 51.5390 115.9569 46.8266 52.5619 9.1354 285.1125 212.8234 236.6277 18.5357 1.2828 29.0024 10.2290 119.4742 21.3128 4.6860 0.2660 0.5134 13.5644 34.2226 20.9181 4.1430 1.3585 11.9820 4.5722 27.6225 8.3174 9.9503 4.8921 17.0182 9.3844 81.3061 23.8272 7.3421 500.7024 9.1848 0.6902 2.7048 4.3703 49.7615 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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 12701.9539 25207.6306 27883.6265 0.99995 -0.00289 0.00929 0.00258 0.99945 0.03293 -0.00938 -0.03290 0.99941 1 0.00682 0.00344 0.00311 0.14208 0.07160 0.06472 23.11 24.31 29.58 34.58 44.25 52.58 57.48 62.71 78.58 88.95 97.25 101.08 111.67 134.06 156.47 172.04 206.65 210.78 225.18 253.69 256.83 270.60 275.55 290.14 299.02 335.17 349.97 369.61 380.67 409.83 425.31 437.47 469.04 476.65 502.88 514.42 527.15 561.71 597.02 628.83 637.53 653.48 657.72 692.09 703.80 729.73 750.56 756.40 762.31 788.73 795.61 798.67 812.63 838.49 863.41 895.39 933.14 979.13 1000.61 1007.45 1046.35 1109.80 1128.11 1140.64 1143.83 1175.99 1187.93 1212.54 1224.02 1240.57 1243.45 1263.89 1282.37 1300.23 1324.79 1340.81 1371.60 1387.95 1395.71 1427.11 1432.08 1450.24 1527.37 1561.28 1571.01 1575.61 1577.90 1581.24 1586.66 1589.44 1597.91 1603.09 1615.58 1626.81 1628.15 1639.74 1648.52 1664.16 1679.49 1687.75 1708.88 1715.23 1727.15 1731.66 1733.42 1735.93 1755.93 1758.82 1784.79 1797.63 1802.28 1862.34 1881.50 1887.59 1889.84 1896.17 1910.68 1915.14 1923.38 1939.57 1967.63 1993.84 2026.82 2036.83 2066.62 2078.48 2103.11 2141.91 2191.97 2211.21 2244.56 2254.13 2254.40 2258.45 2267.74 2278.31 2312.85 2314.18 2323.32 2327.86 2341.03 2348.20 2349.24 2354.21 2359.95 2365.66 2374.09 2384.08 2399.49 2413.49 2479.25 2540.50 2544.75 2556.72 2584.87 2599.42 2603.88 2680.76 2721.02 2834.08 4600.07 4614.91 4615.25 4616.98 4673.01 4689.29 4691.86 4695.75 4698.30 4731.36 4731.99 4735.33 4819.39 4819.64 4824.28 4842.12 4845.51 4848.60 4852.49 4861.20 4866.45 4868.16 4873.02 4898.32 4906.06 4907.03 4921.29 4953.56 5575.07 0.558649 0.591998 0.592942 0.488511 -2341.929289 -2341.895940 -2341.894996 -2341.999426 3.502599D-04 MUNgauss RevisionA2.0 retrievium 15-Apr-2020 DUDE Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@H](c2ccccc2C)N(c3ccccc3Cl)C(=O)C=C(C)C C36546798 RHF 6-31G(d) (6D,10F) C1 524.153657 |X|Y|Z| 66.326853 54.127018 105.127039 72.266881 24 6 7 16 21 2 1 |36.858105| |12.616099|36.858105| |7.560594|13.673179|36.858105| |5.019159|7.890585|13.795423|36.858105| |4.441367|6.853972|7.966657|13.714293|36.858105| |5.010336|7.884957|6.868398|7.898734|13.739174|36.858105| |7.549624|13.712206|7.959079|6.874908|7.968301|13.752144|36.858105| |3.143935|4.187330|4.740988|6.970609|10.761893|6.949874|4.731649|388.023441| |2.859464|3.668396|3.840298|4.976553|7.307453|6.373415|4.374675|94.378208|73.516695| |2.868875|3.680683|4.429146|6.501714|7.318488|4.938508|3.827265|94.173663|13.551994|73.516695| |2.827966|3.602884|3.975357|5.264658|6.741864|5.321682|3.999381|75.213605|12.813459|13.136210|36.858105| |2.814227|3.520393|3.618831|4.403543|5.736698|5.400015|4.110289|49.847997|11.128309|8.791797|13.345937|53.358707| |2.376361|2.847914|2.880835|3.364765|4.149842|4.072017|3.284940|36.229169|9.162589|7.044560|7.824716|19.050033|36.858105| |2.116049|2.500210|2.577649|3.021097|3.601069|3.412388|2.805986|33.041966|8.402175|6.896431|6.887688|11.544474|15.909331|73.516695| |2.313841|2.699221|2.622341|2.919449|3.533207|3.741713|3.165132|27.734192|7.306668|5.537800|5.042314|10.697570|12.406083|14.011815|36.858105| |2.588614|3.034261|2.879888|3.152480|3.838730|4.243267|3.633127|28.123030|7.229427|5.529691|4.979030|10.804594|9.031433|10.522045|17.766984|0.500000| |2.036867|2.306304|2.254262|2.456503|2.830390|2.941976|2.609089|21.792613|5.569135|4.611235|3.917639|7.226566|7.400604|11.111305|12.483604|0.251431|36.858105| |1.822612|2.051300|2.044374|2.242952|2.535617|2.554176|2.270113|20.110049|5.100889|4.404047|3.631661|6.159145|6.312153|11.515945|7.458763|0.157745|13.705549|36.858105| |1.652017|1.825607|1.818454|1.963464|2.167755|2.183185|1.987749|16.811974|4.224544|3.778304|2.933887|4.721704|4.361390|7.996537|4.974949|0.117710|7.881306|13.745137|36.858105| |1.638778|1.786424|1.757594|1.864703|2.041536|2.089366|1.940826|15.343643|3.845698|3.445559|2.614654|4.215127|3.691463|6.407250|4.414256|0.111908|6.828386|7.959693|13.800881|36.858105| |1.788230|1.946118|1.884434|1.980752|2.184756|2.284729|2.138812|16.042662|4.032445|3.539836|2.714087|4.512705|3.876969|6.335911|5.020612|0.134359|7.922347|6.920452|7.971428|13.752564|36.858105| |2.012379|2.228198|2.140080|2.268566|2.562138|2.721287|2.504829|18.810593|4.767063|4.034460|3.231950|5.702284|5.037317|7.676675|7.559759|0.205931|13.561894|7.902118|6.823519|7.871457|13.717828|36.858105| |2.224824|2.440091|2.276189|2.360882|2.674172|2.954537|2.789667|18.748872|4.767936|3.972851|3.092492|5.452562|4.402482|6.475330|6.456052|0.215017|7.436052|4.984359|4.423709|5.026830|7.626199|12.570021|36.858105| |2.200442|2.544251|2.436078|2.691290|3.287733|3.584081|3.032526|25.919591|7.419402|5.193587|4.189312|7.812856|7.705017|10.896392|12.888097|0.261618|7.563576|5.608436|4.125316|3.740295|4.185444|5.736381|5.413142|53.358707| |1.902013|2.163612|2.100578|2.316235|2.753622|2.910758|2.509357|22.255085|6.416031|4.666004|3.518317|5.953524|5.852667|9.954837|7.523401|0.158455|6.264953|5.566173|4.224218|3.700230|3.889310|4.836342|4.274769|18.152245|36.858105| |1.724179|1.921628|1.859824|2.013990|2.329426|2.460957|2.191058|18.274626|5.086948|3.945606|2.886622|4.751627|4.456412|7.750025|5.794040|0.130737|5.999964|5.620613|4.640295|4.179884|4.338326|5.079467|4.329293|10.651902|13.701229|36.858105| |1.541407|1.702541|1.660902|1.794473|2.043306|2.127494|1.911796|16.119465|4.470772|3.572577|2.500561|3.931890|3.563997|6.524256|4.182320|0.098191|4.414831|4.568107|4.106106|3.677737|3.602743|3.886745|3.357185|6.985176|7.882039|13.785960|36.858105| |1.496550|1.660113|1.634595|1.781570|2.029334|2.084335|1.856599|16.368209|4.608569|3.670346|2.492318|3.800962|3.405648|6.478761|3.707376|0.087416|3.702879|3.918883|3.488878|3.057549|2.954473|3.191250|2.815576|6.147025|6.827707|7.965768|13.760417|36.858105| |1.606235|1.806009|1.788000|1.977190|2.287525|2.333186|2.035529|19.008327|5.519334|4.221278|2.858486|4.325807|3.908028|7.585647|4.049368|0.094169|3.752299|3.889525|3.294110|2.848591|2.794724|3.121261|2.795026|6.941722|7.891113|6.908138|7.954564|13.785041|36.858105| |1.816601|2.074475|2.043942|2.283438|2.712660|2.796233|2.383407|22.854452|6.824528|4.877994|3.482190|5.501578|5.191917|9.740791|5.456938|0.121718|4.591477|4.482162|3.553510|3.065610|3.101103|3.648901|3.287543|10.490910|13.670276|7.971576|6.877754|7.939441|13.745869|36.858105| |1.986059|2.319844|2.316549|2.661248|3.255629|3.281984|2.687391|29.396856|9.682860|6.135351|4.177534|6.226266|5.418876|10.174734|4.891954|0.115535|3.828215|3.673102|2.948170|2.578339|2.629910|3.098037|2.905282|8.446182|6.975820|4.757097|4.231485|4.791282|7.106504|10.990749|448.794386| |2.436129|2.835644|2.638876|2.883425|3.610594|4.192251|3.519967|27.128423|8.096621|5.307532|4.014992|7.213689|5.895433|8.367625|7.841064|0.219915|5.189750|4.044544|3.218866|3.042472|3.450214|4.527266|4.865807|18.822239|7.777522|5.537393|4.086843|3.747969|4.256017|5.976859|46.137964|36.858105| |2.877764|3.435025|3.114250|3.387375|4.385764|5.487159|4.491793|30.761297|8.919193|5.800079|4.453848|8.198381|5.830678|7.895563|7.132549|0.240317|4.726467|3.667921|2.968164|2.847774|3.265617|4.277013|4.872392|11.533230|5.382380|4.200379|3.279506|3.051166|3.419645|4.506622|38.078282|15.762647|73.516695| |2.200875|2.495167|2.312592|2.483829|3.019114|3.478160|3.040184|22.507433|6.824488|4.599730|3.158408|5.188473|4.159726|6.483437|5.042286|0.137919|3.945840|3.304664|2.767676|2.650751|2.949486|3.624014|3.889479|10.652184|6.755572|5.315164|4.182575|3.910298|4.394127|5.762420|43.004261|12.836697|14.307041|36.858105| |2.251325|2.540523|2.333519|2.486399|3.014170|3.520953|3.112291|22.030729|6.820286|4.552015|2.915224|4.559765|3.468253|5.524381|3.886677|0.108974|3.135085|2.714769|2.329408|2.240587|2.459630|2.925761|3.161267|7.130949|4.756771|3.947340|3.365639|3.291977|3.724481|4.558926|38.129680|7.640365|11.449899|14.332794|36.858105| |2.592674|2.987365|2.709759|2.895627|3.597145|4.362679|3.778266|25.485821|8.155960|5.173593|3.143318|4.759660|3.401624|5.377893|3.582301|0.103274|2.847571|2.484234|2.133864|2.046091|2.234406|2.646207|2.870734|6.006186|3.854301|3.186230|2.764953|2.753828|3.152969|3.823003|35.586382|6.246406|11.392330|7.550483|12.628403|36.858105| |1.973287|2.168417|2.003640|2.105478|2.466120|2.803889|2.568691|17.971447|5.394424|3.862084|2.383193|3.618184|2.767179|4.557825|3.060917|0.084861|2.623603|2.341609|2.068853|2.007979|2.177270|2.501383|2.675324|5.338809|3.872373|3.470897|3.142875|3.118153|3.407981|3.833740|30.774972|4.928772|7.653089|7.755209|12.637296|7.500786|36.858105| |17.536872|8.870526|6.432345|4.512026|3.994324|4.403308|6.137934|20.807499|4.813007|4.850883|2.570759|3.439289|2.167003|3.476972|2.104618|0.064428|1.859807|1.680319|1.528901|1.512677|1.638697|1.830827|2.006677|2.767890|1.782551|1.619166|1.460120|1.427140|1.533387|1.720977|15.185302|2.254859|4.657566|2.078116|2.158075|2.505756|1.917894|0.500000| |17.584194|8.838444|5.602963|4.181882|3.970875|4.726899|7.177120|20.712296|4.838008|4.640449|2.681218|3.746596|2.358133|3.704716|2.354615|0.074031|2.080016|1.841905|1.674035|1.676557|1.849151|2.085612|2.352700|3.066594|1.936569|1.766546|1.572347|1.514743|1.615732|1.828999|15.832323|2.519925|5.324927|2.287127|2.338620|2.672577|2.052235|0.301897|0.500000| |17.568744|8.842988|7.002850|4.682685|3.973771|4.218641|5.700131|20.738589|4.634460|4.842046|2.705582|3.633437|2.264316|3.611903|2.194748|0.067868|1.964553|1.772036|1.619333|1.610717|1.750213|1.949493|2.138106|2.801485|1.791602|1.636943|1.469557|1.424962|1.521319|1.709682|14.877991|2.233707|4.623511|2.012207|2.033224|2.293586|1.795857|0.302150|0.301380|0.500000| |7.018111|8.899279|17.708794|8.960376|5.662140|4.948983|5.652438|27.880058|5.741616|6.912861|3.419120|4.217702|2.537401|4.110809|2.320859|0.070026|2.041678|1.875784|1.690358|1.639248|1.745408|1.952458|2.062309|2.934321|1.889054|1.693412|1.526913|1.504852|1.634623|1.844271|16.597326|2.302029|4.722776|2.045993|2.062944|2.357129|1.802643|0.175785|0.141824|0.206980|0.500000| |4.090453|5.620921|8.907184|17.749658|8.914590|5.634978|4.955687|47.423665|8.209436|13.407851|5.183095|5.554568|3.193440|5.261037|2.716018|0.079609|2.327633|2.170924|1.912094|1.802031|1.887422|2.134380|2.178015|3.394976|2.190961|1.915154|1.724960|1.725619|1.915857|2.187385|20.503840|2.609493|5.288286|2.269837|2.262023|2.587864|1.942025|0.105537|0.096228|0.110722|0.215386|0.500000| |4.088660|5.625827|4.952443|5.626781|8.894473|17.753464|8.914163|46.980675|12.798884|8.068288|5.272827|7.923650|4.539005|6.606845|4.290710|0.135729|3.232940|2.756300|2.320962|2.213348|2.437023|2.956641|3.231602|5.843633|3.380595|2.787811|2.372261|2.319048|2.624074|3.223521|30.765094|5.361539|13.403084|4.315415|4.378197|5.634891|3.308570|0.102474|0.112387|0.097359|0.107504|0.123978|0.500000| |6.991059|8.908447|5.650290|4.952991|5.666965|8.958475|17.717007|27.831605|6.813402|5.712223|3.449419|5.023878|3.077900|4.669662|3.097577|0.099877|2.575290|2.217534|1.954477|1.931467|2.153040|2.523450|2.886852|4.131931|2.506351|2.211211|1.923577|1.852527|2.013226|2.350678|20.833314|3.614785|8.270349|3.187680|3.302868|4.011717|2.732536|0.162267|0.217802|0.145251|0.124098|0.107571|0.216184|0.500000| |2.449038|3.017130|3.317819|4.243848|5.097567|4.192039|3.292551|58.053874|11.531600|12.349971|17.649106|12.625061|7.617177|14.557208|4.744026|0.122191|3.836821|3.755585|3.024919|2.624979|2.651052|3.095500|2.866322|5.492954|3.576474|2.932874|2.586732|2.627886|3.053099|3.673436|35.876303|3.717262|6.928005|3.007032|2.765936|2.919391|2.299377|0.062874|0.064766|0.065508|0.081771|0.121061|0.118159|0.080961|0.500000| |2.955666|3.762463|4.329817|5.777385|6.543162|4.979546|3.964957|57.832825|9.656331|12.306088|17.592257|12.372099|5.978237|9.596736|4.287574|0.121578|3.555033|3.328589|2.777591|2.513636|2.605567|3.039679|2.930388|4.801700|3.006160|2.557402|2.241236|2.216494|2.483700|2.937437|27.125506|3.401715|6.763310|2.742745|2.556041|2.753673|2.132275|0.073843|0.076776|0.080294|0.105120|0.164826|0.128418|0.093652|0.300131|0.500000| |3.174640|4.043056|3.984508|4.709041|6.359774|6.653002|4.962041|46.335989|10.626009|8.049599|9.083827|26.045843|9.403863|10.903771|7.620467|0.257021|5.074750|4.099194|3.231916|2.994233|3.316271|4.269711|4.381527|7.871344|4.192245|3.394300|2.779756|2.647872|2.970709|3.761730|33.552341|5.846906|13.315293|4.072729|3.594343|3.819899|2.800006|0.077822|0.087355|0.082464|0.092520|0.115068|0.204578|0.124034|0.179966|0.205638|0.500000| |1.801860|2.045998|2.065958|2.303737|2.617155|2.583335|2.258955|21.571156|5.498701|4.757132|3.955974|6.502071|7.013970|15.129876|6.922463|0.142883|8.944597|17.799663|8.951079|5.669278|4.983064|5.636597|4.064116|7.460398|5.733151|5.377647|4.571621|4.183530|4.331701|4.999991|33.317909|3.965483|6.359362|3.264570|2.716129|2.511256|2.339917|0.046385|0.050120|0.048585|0.052628|0.062584|0.077409|0.060613|0.118980|0.098537|0.114672|0.500000| |1.536587|1.692460|1.700480|1.839678|2.011579|2.001278|1.824888|15.752560|3.948420|3.607746|2.720097|4.213761|3.810918|7.319152|4.065116|0.097343|5.627201|8.929635|17.718888|8.911642|5.653702|4.926439|3.539935|4.784214|3.716330|4.058128|3.835439|3.386133|3.173739|3.298098|22.238961|2.815933|4.630880|2.479204|2.125219|1.960171|1.913268|0.039735|0.043022|0.041971|0.044211|0.050273|0.058669|0.049631|0.079438|0.071968|0.079307|0.216365|0.500000| |1.517651|1.637499|1.613798|1.700093|1.838891|1.875800|1.760971|13.734583|3.431957|3.127506|2.299783|3.608561|3.069311|5.400137|3.533626|0.091552|4.928309|5.648480|8.910754|17.710425|8.919277|5.620872|4.111143|4.225429|3.117421|3.533091|3.257622|2.755189|2.539839|2.665610|18.239246|2.610123|4.377043|2.332254|2.007353|1.841760|1.828699|0.039080|0.043122|0.041626|0.042144|0.045855|0.054761|0.048763|0.064326|0.062069|0.071486|0.124388|0.213979|0.500000| |1.743829|1.870274|1.797005|1.862382|2.032391|2.141524|2.042376|14.641874|3.672438|3.253448|2.421035|3.947827|3.259375|5.322253|4.097361|0.114595|5.638058|4.975827|5.666998|8.942691|17.707656|8.939989|7.143789|4.861008|3.319532|3.703012|3.165265|2.623617|2.471988|2.705735|18.736794|3.094708|5.292063|2.715856|2.303944|2.099835|2.068772|0.044417|0.050454|0.047560|0.046491|0.049183|0.063026|0.057658|0.065184|0.065289|0.082036|0.108021|0.124342|0.216056|0.500000| |2.500545|2.760449|2.555484|2.632041|2.976175|3.316986|3.163639|20.267292|5.030914|4.256460|3.379728|6.041548|4.573000|6.528511|6.290167|0.235653|6.478427|4.506414|3.948593|4.324184|5.985982|8.789436|17.536593|6.758564|3.819358|3.677911|2.928964|2.543098|2.583019|3.055412|22.700344|4.691008|9.067489|3.655104|3.062096|2.891310|2.561328|0.061644|0.073722|0.066936|0.063905|0.066734|0.099236|0.090618|0.084634|0.090504|0.140540|0.105836|0.089986|0.100628|0.157791|0.500000| |2.258650|2.487542|2.292643|2.381906|2.745603|3.105106|2.909384|19.262183|5.043107|4.031599|3.079173|5.442701|4.406979|6.440830|6.686541|0.223438|6.655367|4.556762|3.936452|4.257791|5.833007|8.770119|17.570145|8.764204|4.866228|4.859458|3.640846|3.029507|3.026307|3.626774|25.443316|6.110192|10.500429|4.849619|3.784324|3.322225|3.137474|0.056950|0.066693|0.059418|0.057246|0.060568|0.097151|0.084992|0.079199|0.079358|0.123420|0.107482|0.089747|0.098808|0.151792|0.302679|0.500000| |2.085198|2.236494|2.080755|2.126261|2.360730|2.597201|2.512639|16.388980|4.151776|3.541270|2.646515|4.465256|3.533264|5.410520|4.745161|0.149606|5.538177|4.181574|3.998269|4.821572|7.421142|8.874235|17.590115|5.764868|3.581702|3.771236|3.057436|2.564427|2.498248|2.846455|20.229803|3.936784|6.995938|3.364311|2.817311|2.561141|2.462776|0.052492|0.061660|0.056045|0.052990|0.054766|0.077698|0.072875|0.068751|0.070742|0.098557|0.096021|0.090950|0.115053|0.232209|0.302870|0.302449|0.500000| |1.747897|1.932384|1.854314|1.984480|2.278272|2.433348|2.201185|17.403059|4.745038|3.755600|2.770764|4.624016|4.236629|7.082260|5.882637|0.138783|6.700835|5.808816|4.993526|4.822168|5.317022|6.297018|5.303139|9.888269|8.971368|17.759288|8.933049|5.660193|4.973548|5.673075|31.515118|5.347148|7.474500|4.990664|3.722412|3.033113|3.281685|0.045351|0.050138|0.046223|0.046973|0.052149|0.076098|0.062264|0.076759|0.069340|0.093838|0.141234|0.116125|0.111145|0.125471|0.117815|0.167330|0.128691|0.500000| |1.447138|1.581805|1.540633|1.649045|1.854202|1.931213|1.760993|14.401736|3.932092|3.227251|2.229181|3.470634|3.069322|5.580876|3.591061|0.086960|3.951609|4.134371|3.987080|3.711953|3.586050|3.678484|3.188897|5.680566|5.627342|8.939455|17.728693|8.899615|5.649496|4.955402|27.424357|3.461993|5.108783|3.560965|2.948117|2.453088|2.824803|0.038123|0.041122|0.038490|0.039591|0.044112|0.059166|0.049424|0.063726|0.056399|0.068723|0.111338|0.104955|0.093941|0.089345|0.076663|0.094555|0.083136|0.215585|0.500000| |1.382296|1.522074|1.503494|1.631169|1.835517|1.874158|1.685403|14.721378|4.102390|3.358504|2.218765|3.312692|2.892353|5.530572|3.080060|0.074376|3.120643|3.348117|3.105444|2.756716|2.627878|2.761926|2.460072|4.898713|4.928890|5.653693|8.901104|17.722609|8.947099|5.652040|31.797096|3.105340|4.637707|3.267922|2.859868|2.438683|2.791978|0.036786|0.038805|0.036679|0.038709|0.044136|0.057275|0.046706|0.065168|0.055493|0.064234|0.098944|0.085980|0.070688|0.065855|0.062217|0.072637|0.063353|0.124222|0.213821|0.500000| |1.546931|1.738199|1.734242|1.924598|2.211831|2.227337|1.943455|18.593601|5.424644|4.212306|2.729642|3.986816|3.482869|6.869762|3.445451|0.082148|3.176893|3.317946|2.870272|2.497184|2.435982|2.684719|2.438432|5.643529|5.638265|4.973080|5.649045|8.905694|17.752247|8.961826|54.870212|3.651395|5.418533|3.801924|3.408276|2.985438|3.190494|0.041288|0.042975|0.040721|0.044220|0.052222|0.068933|0.053096|0.081998|0.066108|0.075733|0.103589|0.078318|0.062793|0.060574|0.063646|0.072624|0.061147|0.107922|0.124023|0.215010|0.500000| |1.977745|2.205666|2.061145|2.199470|2.608654|2.931647|2.619391|19.560399|5.762368|4.105260|2.811420|4.571012|3.780295|6.077939|4.686800|0.124158|3.949473|3.366150|2.869028|2.766970|3.066088|3.692455|3.878353|9.799345|7.329700|6.409071|5.007763|4.491639|4.788604|5.958111|39.015526|8.732996|10.498428|17.742379|9.177145|5.470824|7.246786|0.052014|0.057140|0.050783|0.051316|0.056530|0.097173|0.076114|0.075728|0.068764|0.097479|0.091312|0.071422|0.067835|0.078589|0.097366|0.134702|0.095053|0.165945|0.117760|0.102801|0.111375|0.500000| |2.784519|3.330294|3.060317|3.372851|4.404056|5.394872|4.314817|31.937776|10.957660|6.173214|3.795343|5.750540|3.990645|6.201096|4.035295|0.116322|3.081268|2.678281|2.260195|2.139657|2.328026|2.791735|2.988538|6.633750|4.093570|3.260792|2.795247|2.800033|3.275463|4.103429|41.050656|6.931596|13.551928|6.967431|8.794912|17.669082|5.538077|0.073998|0.078472|0.068306|0.072645|0.082932|0.208914|0.122236|0.096355|0.089961|0.128910|0.076088|0.057573|0.053119|0.060094|0.084994|0.094706|0.072774|0.085559|0.068221|0.068370|0.086269|0.139981|0.500000| |2.416587|2.750209|2.533479|2.705414|3.280725|3.817475|3.362740|23.609051|7.559859|4.961541|2.847336|4.153737|2.976375|4.851437|3.050022|0.086320|2.497445|2.234777|1.944028|1.858433|2.000678|2.321253|2.474658|4.992419|3.376914|2.849023|2.554741|2.603594|2.990620|3.492839|33.192188|4.747611|8.435549|5.725913|8.918534|17.557499|7.283865|0.066093|0.068472|0.059596|0.061972|0.068144|0.129274|0.097666|0.074766|0.069896|0.090299|0.063334|0.050213|0.046901|0.052423|0.069027|0.077973|0.062244|0.074610|0.063385|0.065120|0.080818|0.127002|0.301063|0.500000| |2.839499|3.222640|2.823955|2.927309|3.579144|4.541095|4.160760|23.813703|7.195953|4.876077|2.953417|4.476523|3.126957|4.890018|3.339371|0.099608|2.702983|2.337396|2.032367|1.978874|2.185510|2.579780|2.880719|5.357577|3.374634|2.886487|2.505432|2.450950|2.729169|3.243014|29.000198|5.476342|10.870640|6.204959|8.915566|17.529374|6.354301|0.076249|0.082934|0.068737|0.068054|0.071587|0.160256|0.129350|0.074992|0.073532|0.102384|0.064718|0.051711|0.049700|0.057769|0.081713|0.092619|0.072183|0.078425|0.062851|0.060875|0.071597|0.132114|0.301617|0.302178|0.500000| |2.013896|2.180774|1.989163|2.056864|2.381044|2.739881|2.578149|16.866753|4.961902|3.652450|2.217547|3.338872|2.501227|4.099221|2.754853|0.078034|2.390445|2.130074|1.904250|1.869956|2.038536|2.323172|2.530779|4.606252|3.254865|2.981277|2.712235|2.662995|2.857464|3.174813|25.773487|4.228511|6.980853|5.957494|8.897772|6.900242|17.524358|0.054712|0.058693|0.050651|0.049853|0.052445|0.088617|0.077573|0.058909|0.055853|0.072585|0.058701|0.048972|0.047630|0.054465|0.068015|0.081898|0.065617|0.080309|0.069156|0.067271|0.074991|0.153753|0.139103|0.191522|0.186055|0.500000| |1.880334|2.070962|1.939200|2.053161|2.393936|2.665084|2.422735|17.772955|5.400070|3.873239|2.318409|3.439896|2.626526|4.415334|2.811096|0.076802|2.421843|2.208140|1.956033|1.878625|2.004735|2.277610|2.384606|4.809790|3.596857|3.201978|2.992440|3.084550|3.443695|3.768967|31.490601|4.247652|6.682175|6.060307|8.895399|6.746953|17.532824|0.051190|0.053728|0.047649|0.048668|0.053076|0.086271|0.070444|0.062878|0.057513|0.072773|0.062197|0.050814|0.047757|0.052735|0.063833|0.075943|0.061083|0.082372|0.074523|0.077861|0.092535|0.158764|0.145164|0.211605|0.152216|0.302916|0.500000| |1.824869|1.989581|1.848888|1.939092|2.246620|2.520945|2.325911|16.476707|4.847886|3.572361|2.245625|3.435787|2.685820|4.461020|3.037107|0.083160|2.676431|2.400457|2.141287|2.090522|2.265552|2.578265|2.738109|5.345673|4.044482|3.799348|3.490352|3.401737|3.585864|3.918610|29.272389|4.683833|7.029370|7.366918|8.803180|5.472571|17.593255|0.049068|0.052816|0.046587|0.046532|0.050028|0.081422|0.068500|0.060684|0.056095|0.073248|0.066096|0.054973|0.053007|0.059953|0.071282|0.089683|0.070684|0.100062|0.087894|0.084642|0.091532|0.230326|0.123428|0.144244|0.135253|0.300487|0.300544|0.500000| 2340.034298 -14513.479685 5584.938879 -254.957351 -6843.463858 4500.975864 -2342.487995 2.001049 3D4B00000000001A 4569B0D88D77182C 44E7D4434B8FDB0F 42148722BFFFFFFD B3B4E3E3A94E5E4E 43DD7E3F641D5C99