Version2.1 2021-01-09T17:42:19Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 20-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)NC(=O)[C@@H](N2S(=O)(=O)c3ccc(cc3)Cl)CC(=O)Nc4ccc(cc4)Cl C27663290 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)NC(=O)[C@@H](N2S(=O)(=O)c3ccc(cc3)Cl)CC(=O)Nc4ccc(cc4)Cl C01[X(C22H17Cl2N3O4S1)] 141 C1 526 Clc1ccc(cc1)NC(=O)C[C@H]1C(=O)Nc2c(N1S(=O)(=O)c1ccc(cc1)Cl)cccc2 Clc1ccc(cc1)NC(=O)C[C@H]1C(=O)Nc2c(N1S(=O)(=O)c1ccc(cc1)Cl)cccc2 Clc1ccc(NC(=O)C[C@@H]2N(c3ccccc3NC2=O)[S](=O)(=O)c4ccc(Cl)cc4)cc1 InChIKey=CPOYZCXQUOLBOM-FQEVSTJZSA-N InChI=1S/C22H17Cl2N3O4S/c23-14-5-9-16(10-6-14)25-21(28)13-20-22(29)26-18-3-1-2-4-19(18)27(20)32(30,31)17-11-7-15(24)8-12-17/h1-12,20H,13H2,(H,25,28)(H,26,29)/t20-/m0/s1 InChI=1/C22H17Cl2N3O4S/c23-14-5-9-16(10-6-14)25-21(28)13-20-22(29)26-18-3-1-2-4-19(18)27(20)32(30,31)17-11-7-15(24)8-12-17/h1-12,20H,13H2,(H,25,28)(H,26,29)/t20-/m0/s1/f/h25-26H c1ccc2c(c1)NC(=O)[C@@H](N2S(=O)(=O)c3ccc(cc3)Cl)CC(=O)Nc4ccc(cc4)Cl C01[X(C22H17Cl2N3O4S1)] 141 C01 526 Clc1ccc(cc1)NC(=O)C[C@H]1C(=O)Nc2c(N1S(=O)(=O)c1ccc(cc1)Cl)cccc2 Cl[C]1[CH][CH][C]([CH][CH]1)NC(=O)C[C@H]1C(=O)N[C]2[C]([CH][CH][CH][CH]2)N1S(=O)(=O)[C]1[CH][CH][C]([CH][CH]1)Cl Cl[C]1[CH][CH][C]([CH][CH]1)NC(=O)C[C@@H]2N([C]3[CH][CH][CH][CH][C]3NC2=O)[S](=O)(=O)[C]4[CH][CH][C](Cl)[CH][CH]4 InChIKey=CPOYZCXQUOLBOM-FQEVSTJZSA-N InChI=1S/C22H17Cl2N3O4S/c23-14-5-9-16(10-6-14)25-21(28)13-20-22(29)26-18-3-1-2-4-19(18)27(20)32(30,31)17-11-7-15(24)8-12-17/h1-12,20H,13H2,(H,25,28)(H,26,29)/t20-/m0/s1 InChI=1/C22H17Cl2N3O4S/c23-14-5-9-16(10-6-14)25-21(28)13-20-22(29)26-18-3-1-2-4-19(18)27(20)32(30,31)17-11-7-15(24)8-12-17/h1-12,20H,13H2,(H,25,28)(H,26,29)/t20-/m0/s1/f/h25-26H 3747.5182858146 -2622.2450351 1-A 19568.2337 126 400 526 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455.7174 458.9491 477.8075 480.0132 486.6465 500.0985 522.2069 533.2342 545.3061 553.9313 564.2018 575.9308 599.1197 615.6708 633.7953 647.8939 666.8309 688.6625 690.6401 696.3274 730.9669 746.6528 781.9147 784.2973 793.4362 822.5560 825.0112 836.3569 845.4730 859.4523 916.9432 926.1258 930.9365 947.1382 948.0070 959.9316 977.4614 1004.7476 1021.2598 1066.6836 1071.8545 1076.5223 1089.5894 1098.9760 1108.5262 1111.7400 1112.0927 1114.8637 1119.7581 1138.5787 1149.8239 1192.9606 1196.1976 1201.4671 1205.8093 1210.9815 1211.9396 1225.0971 1232.5159 1270.7656 1275.1306 1287.3652 1289.5116 1307.4442 1309.9240 1324.2857 1349.6699 1372.6067 1383.4062 1405.1035 1418.7958 1426.9730 1448.4285 1454.9055 1471.4901 1488.3137 1522.1030 1544.6193 1550.7366 1562.3412 1582.9980 1633.6890 1658.2650 1660.0871 1674.5430 1675.3862 1717.7739 1764.3038 1789.7075 1795.0043 1795.7751 1807.2218 1809.8765 1975.5155 1997.8170 3242.6418 3292.8649 3352.5910 3362.7887 3364.5468 3379.6347 3394.7836 3399.6500 3401.3587 3404.3227 3406.2088 3420.5089 3422.7980 3426.3627 3466.6543 3852.7161 3888.1078 9.8459 11.0701 4.3217 7.4503 9.5598 5.8280 5.0072 10.0454 8.1844 5.4527 9.6114 8.6098 7.3807 9.1753 8.5583 6.4783 6.9501 5.6954 14.9324 7.4305 8.3460 8.9093 6.6192 5.1333 6.3856 5.8161 5.8380 4.7334 4.9521 2.9539 3.0291 6.6979 7.1795 5.0137 6.2713 5.1408 5.1024 2.9841 1.4658 3.9467 2.7477 1.6781 3.0917 4.8023 3.8171 4.6339 7.1439 8.6437 6.7472 7.4379 6.2747 3.9701 3.6200 4.3669 6.5331 4.7312 6.7665 5.1925 1.3073 3.7221 1.6470 3.4004 1.4799 1.2532 1.4354 1.4229 3.4547 4.3036 4.6777 1.3698 3.1278 1.5872 1.3542 3.6301 1.4416 3.0083 1.3949 1.3277 2.3507 2.6167 7.7507 2.0261 2.3441 3.4246 2.8941 2.6706 2.9418 1.6919 2.5470 5.7440 3.2390 1.8793 1.1878 1.1607 1.6001 2.6720 2.3330 1.9881 1.4238 1.6680 1.9803 1.2813 1.3724 3.6399 7.4595 1.7095 1.5177 2.6046 2.4021 1.7973 1.1390 2.5628 2.1292 2.5702 2.2831 2.3084 6.5751 5.1837 5.7921 3.8268 5.4144 5.5835 8.8298 9.3206 1.0622 1.1047 1.0910 1.0881 1.0892 1.0925 1.0968 1.0932 1.0950 1.0915 1.0912 1.0963 1.0960 1.0953 1.0938 1.0784 1.0783 0.0005 0.0008 0.0008 0.0022 0.0061 0.0083 0.0075 0.0246 0.0311 0.0273 0.0559 0.0833 0.0992 0.1499 0.1423 0.1413 0.1785 0.1943 0.6702 0.3801 0.4363 0.5302 0.4230 0.3509 0.4651 0.4667 0.5166 0.4399 0.5050 0.3614 0.3759 0.9009 0.9746 0.6996 0.9241 0.8260 0.8548 0.5228 0.2650 0.7402 0.5370 0.3549 0.6905 1.1366 0.9440 1.2140 1.9962 2.4292 1.9275 2.3415 2.0610 1.4301 1.3119 1.6198 2.6044 1.8973 2.7887 2.1869 0.5689 1.8438 0.8323 1.7363 0.7822 0.6636 0.7793 0.8010 2.0548 2.6446 3.1358 0.9272 2.1357 1.1102 0.9637 2.6282 1.0498 2.1921 1.0215 0.9809 1.7954 2.0383 6.4989 1.7081 1.9937 2.9337 2.5006 2.3111 2.6014 1.5143 2.4233 5.5027 3.1627 1.8412 1.1963 1.1734 1.6533 2.8677 2.5898 2.2417 1.6562 1.9783 2.3758 1.5837 1.7116 4.6436 9.7352 2.3335 2.1335 3.6903 3.4545 2.6535 1.7911 4.1521 3.4573 4.2462 3.7757 4.0132 12.0587 9.7827 10.9956 7.2710 10.4189 10.7759 20.3031 21.9181 6.5805 7.0576 7.2252 7.2494 7.2648 7.3519 7.4471 7.4439 7.4638 7.4531 7.4590 7.5569 7.5653 7.5761 7.7449 9.4308 9.6047 0.3782 0.1500 0.0947 0.3559 0.8137 3.1210 2.7407 0.7511 2.4841 0.3072 4.3370 0.9616 1.1861 2.2471 1.2452 4.6469 3.8713 1.2084 0.7019 3.1270 2.5458 0.0828 3.5867 4.8082 0.3619 4.9685 5.8433 5.6608 1.6569 0.0823 0.8462 22.7935 0.5770 9.8734 5.1655 49.5490 82.5587 35.6917 61.8634 2.8394 3.4946 49.6683 56.4722 13.8911 28.0304 68.3595 1.9138 154.2972 10.5846 75.0613 15.5836 3.8981 1.3551 10.4251 15.5350 29.9904 123.7357 18.8753 83.6215 2.4031 63.0256 77.2328 19.5775 1.7282 48.5273 7.6545 19.6017 8.1547 28.9689 1.2386 16.0881 19.7301 0.8507 18.3265 5.4894 14.1946 1.1856 0.0684 16.8542 9.7998 98.1682 1.5324 6.1722 44.2895 121.0477 28.1116 57.2214 21.4829 8.9615 227.8722 16.4517 14.5731 3.7654 5.3366 5.0820 6.2352 15.7919 62.2952 26.4870 177.5392 0.2603 5.7735 45.1296 180.7091 185.2428 95.7788 14.2501 30.7175 92.2120 44.6267 13.7949 63.9676 44.3708 66.8968 171.4469 491.3057 6.1119 72.5142 2.7852 110.9674 30.5095 25.7930 198.2287 588.6657 12.5477 9.2010 19.6830 4.2427 3.9424 11.3135 18.9824 4.0450 4.4341 0.8090 0.9417 0.2329 0.4757 0.4615 3.8063 63.0357 28.1138 1.5309 0.3993 6.7577 3.5731 2.1637 1.6138 4.4920 0.5889 1.8794 5.1350 1.2153 2.6226 2.6031 0.7320 0.3571 1.4195 1.1966 1.8354 5.2826 0.2508 3.2702 1.4588 1.6900 4.7150 0.7477 1.5215 1.2760 1.9684 0.6099 0.0410 0.1434 4.4296 2.3360 6.2533 2.6373 1.1156 0.2621 1.2906 0.9131 5.2680 1.1195 1.8040 0.7031 2.1235 2.0353 0.5905 6.0518 4.6678 6.1785 18.0187 7.0427 2.3187 1.0113 2.0687 7.5495 2.5452 4.6147 2.6497 0.9070 10.9802 4.3026 7.3600 1.2802 1.0533 0.6275 1.9785 2.5300 3.8378 2.6033 2.0916 2.3238 1.5011 0.3836 1.7154 0.7954 0.6554 0.0809 0.1555 12.5889 18.3632 28.1837 0.5537 1.7197 12.7671 11.7324 7.0083 12.9049 1.1060 3.6155 12.2332 0.8914 7.9277 2.2777 12.7183 0.7414 16.6187 10.6675 37.0678 3.4718 10.1217 9.5255 0.6343 2.9579 2.1540 3.1362 2.4525 12.4228 0.2715 6.9263 10.2134 8.0986 9.7529 0.1721 1.7923 6.5363 14.6989 2.8523 61.8212 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13.14 15.72 25.84 32.16 47.52 70.90 72.75 92.77 115.50 132.68 142.96 184.36 217.27 239.60 241.71 276.87 300.36 346.26 397.10 423.94 428.55 457.25 473.83 490.10 505.89 530.96 557.61 571.42 598.60 655.68 660.33 687.46 690.63 700.18 719.53 751.34 767.21 784.57 796.98 811.76 828.64 862.00 885.81 911.89 932.17 959.42 990.83 993.68 1001.86 1051.70 1074.27 1125.00 1128.43 1141.58 1183.47 1187.01 1203.33 1216.45 1236.56 1319.28 1332.49 1339.41 1362.72 1363.97 1381.13 1406.35 1445.61 1469.37 1534.72 1542.16 1548.88 1567.68 1581.18 1594.92 1599.55 1600.05 1604.04 1611.08 1638.16 1654.34 1716.40 1721.06 1728.64 1734.89 1742.33 1743.71 1762.64 1773.32 1828.35 1834.63 1852.23 1855.32 1881.12 1884.69 1905.35 1941.87 1974.87 1990.41 2021.63 2041.33 2053.10 2083.97 2093.28 2117.15 2141.35 2189.97 2222.36 2231.16 2247.86 2277.58 2350.51 2385.87 2388.50 2409.29 2410.51 2471.49 2538.44 2574.99 2582.61 2583.72 2600.19 2604.01 2842.33 2874.41 4665.44 4737.70 4823.63 4838.30 4840.83 4862.54 4884.34 4891.34 4893.80 4898.06 4900.77 4921.35 4924.64 4929.77 4987.74 5543.20 5594.12 0.389181 0.414968 0.415912 0.327166 -2621.855854 -2621.830067 -2621.829123 -2621.917869 2.976555D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2021 DUDE c1ccc2c(c1)NC(=O)[C@@H](N2S(=O)(=O)c3ccc(cc3)Cl)CC(=O)Nc4ccc(cc4)Cl C27663290 RHF 6-31G(d) (6D,10F) C1 489.031683 |X|Y|Z| 49.057111 42.717481 123.841667 63.785916 26 6 7 16 22 3 1 |36.858105| |13.735202|36.858105| |7.944264|13.765768|36.858105| |6.886057|7.942164|13.735984|36.858105| |7.954067|6.867653|7.916984|13.694536|36.858105| |13.778704|7.921787|6.856849|7.918085|13.728091|36.858105| |5.171687|4.567680|5.188802|7.943070|13.634670|7.845214|53.358707| |3.953557|3.774096|4.496881|6.655430|7.803808|5.182019|19.021452|36.858105| |3.237761|3.066239|3.508625|4.700463|5.394529|4.097188|11.549475|15.957949|73.516695| |3.840471|3.992066|5.200499|7.804582|6.813417|4.596105|10.667189|12.507050|14.174627|36.858105| 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|3.658263|3.818245|4.766468|6.205078|5.586595|4.208440|8.001216|7.623211|10.632846|12.404961|0.248136|10.491000|34.633458|7.082726|8.501677|3.850883|3.246059|2.757578|2.672170|2.970613|3.609916|17.625925|36.858105| |3.133588|3.437890|4.319246|4.981535|4.171630|3.365804|5.614285|4.954844|7.545441|7.579829|0.198480|8.615243|33.073512|7.122690|8.725707|3.453884|2.925606|2.475755|2.385757|2.640524|3.208895|15.888185|12.518730|36.858105| |2.670014|2.901399|3.564779|4.064161|3.492182|2.863772|4.865412|4.394543|7.107019|6.373783|0.197544|7.192422|31.424171|6.663178|9.180878|3.325270|2.769484|2.369974|2.325290|2.619810|3.193603|15.557851|8.064154|15.929853|73.516695| |3.255488|3.705885|4.602660|4.785224|3.919409|3.325385|4.932440|3.990699|6.072068|5.475616|0.137752|7.350782|29.219496|6.886806|7.264645|3.080303|2.722843|2.307081|2.179494|2.345197|2.786144|14.693170|7.842068|14.015954|14.943279|53.358707| |2.775033|3.189189|3.805645|3.728842|3.110994|2.749654|3.920797|3.110275|4.898716|4.008977|0.106632|5.593766|24.833165|6.159758|6.321727|2.669135|2.401708|2.058658|1.944353|2.074719|2.427408|13.295493|5.013016|7.636693|11.579052|18.403982|36.858105| |2.749383|3.184244|3.617020|3.359511|2.862210|2.636784|3.531574|2.698273|4.270184|3.294198|0.086035|4.710033|21.215202|5.463094|5.215815|2.368119|2.196969|1.904621|1.784088|1.869315|2.143368|12.363258|3.988245|5.161479|7.908036|10.858077|13.693558|36.858105| |2.348978|2.692409|2.976709|2.754338|2.391285|2.238944|2.985189|2.272601|3.664826|2.701188|0.072190|3.862516|18.277781|4.777130|4.554448|2.087990|1.956760|1.717205|1.613748|1.682909|1.906565|11.315167|3.126609|3.894560|6.408669|7.065461|7.897536|13.794564|36.858105| |2.093509|2.374987|2.652825|2.511470|2.186109|2.024499|2.781253|2.151241|3.514755|2.564258|0.070447|3.629589|17.774278|4.612815|4.569194|2.030180|1.884477|1.659302|1.572356|1.652173|1.874166|11.043222|2.902988|3.680358|6.440164|6.202056|6.867856|7.988080|13.786376|36.858105| |2.102590|2.374692|2.721350|2.651153|2.287922|2.071768|2.955477|2.339557|3.835092|2.855980|0.080341|3.984003|19.715157|5.003599|5.250316|2.207452|2.006610|1.756275|1.676895|1.786717|2.052498|11.680592|3.228280|4.316586|7.994529|6.977712|7.939803|6.914121|7.951082|13.797659|36.858105| |2.374955|2.691361|3.183872|3.176941|2.689673|2.374640|3.482859|2.812591|4.547003|3.587269|0.100948|4.935438|23.567513|5.810530|6.348427|2.547724|2.268928|1.958968|1.871186|2.015515|2.358229|12.848576|4.203446|6.278326|11.692169|10.506045|13.704197|7.939420|6.850970|7.933462|13.753232|36.858105| |1.790836|2.004977|2.183148|2.063864|1.833041|1.725069|2.347934|1.799937|2.981321|2.083846|0.057640|2.945413|14.800201|3.867636|3.803091|1.744405|1.640934|1.466546|1.394548|1.455094|1.625040|9.932826|2.294397|2.761183|4.912603|4.376406|4.216432|4.771769|7.030260|10.921600|7.024365|4.755621|448.794386| |17.724233|8.908162|5.648472|4.959325|5.658875|8.955123|5.696801|3.307733|5.004633|3.176036|0.075397|4.921392|21.636840|5.613483|4.481024|3.002263|3.284319|2.991578|2.592633|2.441470|2.593034|18.223877|3.084930|2.699754|4.159232|3.841670|2.470190|2.493656|2.171741|1.935974|1.923194|2.135873|13.504354|0.500000| |8.899559|17.735066|8.934129|5.651105|4.950604|5.639364|4.943885|3.124747|4.658635|3.331817|0.080035|5.640537|25.471760|7.302471|5.142780|3.213941|3.464164|2.948653|2.502360|2.398172|2.652217|17.080854|3.259733|3.064578|4.678470|4.610463|3.046744|3.148289|2.721813|2.382001|2.335327|2.587757|16.346972|0.214406|0.500000| |5.640986|8.885106|17.772232|8.968944|5.652201|4.948042|5.735988|3.918008|5.608980|4.768802|0.113388|9.647862|42.177644|13.384968|7.862855|4.372152|4.309996|3.341181|2.848891|2.859417|3.399484|18.440190|4.460817|4.416902|6.583158|6.666271|4.231565|4.023720|3.318573|2.961085|3.037774|3.549430|19.332756|0.123947|0.214093|0.500000| |8.899811|5.633295|4.943434|5.637758|8.918030|17.713173|9.743374|4.778304|7.114686|3.996773|0.091964|5.705887|23.794324|5.613502|4.974000|3.499393|3.683843|3.442246|3.116350|2.992407|3.146803|21.626337|3.716814|2.978113|4.594658|3.958931|2.441700|2.351226|2.024657|1.843224|1.883678|2.137954|12.760961|0.215328|0.123927|0.107438|0.500000| |4.750518|4.004813|4.259091|5.785372|9.165274|7.212042|25.999935|9.481246|13.852852|5.713321|0.129638|7.004456|28.535713|6.013950|6.156143|4.448888|4.213122|3.951199|3.896419|4.058567|4.342819|25.782430|4.684008|3.457022|5.461849|4.206061|2.526500|2.312882|1.985693|1.855751|1.958091|2.269766|12.753741|0.112260|0.090951|0.098162|0.214937|0.500000| |4.260032|4.645795|5.379689|5.676875|4.987710|4.367492|5.897349|3.894160|5.865719|3.993943|0.103352|7.223407|47.256908|13.215494|8.161893|8.911408|17.762865|8.922808|5.663526|4.940840|5.630355|31.638206|3.172501|2.911450|4.825380|3.801612|2.485179|2.305957|2.054317|1.961300|2.065797|2.322830|13.699724|0.100922|0.113290|0.140889|0.104200|0.107699|0.500000| |3.294893|3.225663|3.360310|3.622122|3.707598|3.514685|4.885263|3.208959|5.215947|2.998631|0.079816|4.683503|27.794976|6.872666|5.728424|5.651030|8.909516|17.756727|8.918884|5.630082|4.941425|53.962575|2.465524|2.233165|3.784061|2.884461|1.911897|1.795405|1.630687|1.570065|1.644554|1.814492|11.235848|0.083940|0.081354|0.086698|0.092643|0.098184|0.214293|0.500000| |2.418320|2.371276|2.630281|3.103728|3.203310|2.758964|5.033038|3.929276|7.311775|3.497763|0.103244|4.678193|27.805464|5.736925|6.872309|5.650898|4.940450|5.628984|8.917361|17.759953|8.910840|53.908763|2.749350|2.457449|4.396149|2.957188|1.935214|1.744395|1.580037|1.559706|1.689609|1.896039|11.097309|0.060863|0.059170|0.069370|0.074788|0.102077|0.107376|0.124101|0.500000| |2.729412|2.791685|3.319689|4.124270|3.919767|3.114882|6.153651|5.445568|9.516317|5.476541|0.180840|7.190757|47.234161|8.174027|13.218113|8.900875|5.627345|4.941492|5.666499|8.929969|17.756415|31.646573|3.853951|3.466332|6.337127|3.969021|2.535030|2.199154|1.954516|1.940183|2.156149|2.500121|13.445052|0.066435|0.068552|0.089298|0.080408|0.112766|0.123992|0.107385|0.214665|0.500000| |4.298943|4.419793|5.377156|6.846482|6.436233|4.966685|8.448121|6.855993|9.383189|8.776662|0.174173|9.515983|31.149238|6.750517|7.179856|3.584903|3.163097|2.703648|2.573840|2.777639|3.283114|17.167889|17.577292|8.740915|10.421532|10.281632|4.860152|4.128485|3.181578|2.855209|3.061421|3.873026|18.183498|0.099290|0.102788|0.133281|0.119593|0.137665|0.087764|0.068230|0.071032|0.093864|0.500000| |3.184663|3.214949|3.800095|4.762419|4.670958|3.697763|7.228877|7.180021|11.534535|8.924124|0.215361|7.653282|28.633081|5.901575|7.331654|3.407378|2.894222|2.537779|2.521045|2.829919|3.351850|16.967922|17.585012|9.031197|12.975206|8.239208|4.292110|3.498437|2.830856|2.668369|2.969088|3.768096|17.260428|0.076692|0.077694|0.099010|0.094902|0.124873|0.077380|0.063279|0.074530|0.101258|0.301823|0.500000| |3.768557|4.334149|5.332131|5.359436|4.391657|3.790007|5.287224|4.082114|6.077982|5.357842|0.127016|7.472257|28.380207|6.833884|6.674439|3.067912|2.775718|2.353006|2.197510|2.328998|2.736556|14.847551|7.650673|9.481397|10.887292|26.092197|9.347540|7.652777|4.927624|4.094637|4.296461|5.754252|24.020299|0.089782|0.108847|0.152606|0.090594|0.091651|0.080098|0.060495|0.059587|0.077946|0.246304|0.160907|0.500000| |3.053419|3.546744|3.917115|3.550897|3.059499|2.878354|3.698070|2.758870|4.326093|3.297856|0.083761|4.746761|20.775440|5.368541|4.959197|2.359345|2.219711|1.929358|1.796143|1.864787|2.123011|12.478174|4.030652|4.834365|7.109365|10.013096|8.891758|17.696442|8.968895|5.675456|4.971710|5.641019|31.638219|0.077142|0.098053|0.118271|0.070974|0.067398|0.065147|0.050806|0.048196|0.059853|0.122412|0.097647|0.234189|0.500000| |2.269761|2.588335|2.776641|2.533356|2.233948|2.135004|2.775223|2.080970|3.368734|2.415929|0.064174|3.467040|16.487370|4.347803|4.054156|1.925178|1.830741|1.620526|1.519114|1.569965|1.758856|10.743875|2.759684|3.279707|5.381821|5.734364|5.629228|8.926175|17.747962|8.920612|5.653227|4.942929|53.647228|0.059142|0.074027|0.085084|0.053960|0.051767|0.053633|0.043102|0.040994|0.049696|0.079347|0.070074|0.116553|0.216354|0.500000| |1.910020|2.135373|2.431254|2.393732|2.088530|1.893025|2.731960|2.173201|3.610387|2.618691|0.075084|3.624783|18.462989|4.661054|5.020294|2.098714|1.904433|1.679692|1.615609|1.727349|1.974875|11.313951|2.884235|3.744707|7.234256|5.646910|5.652282|4.975653|5.657145|8.941571|17.747105|8.943847|53.694230|0.048773|0.058329|0.074822|0.048172|0.050633|0.054097|0.043689|0.045661|0.057958|0.075110|0.074998|0.098229|0.107881|0.124355|0.500000| |2.309797|2.584698|3.090035|3.193299|2.713782|2.353673|3.596985|2.985302|4.877928|3.879166|0.113940|5.178403|25.246904|5.999607|7.172461|2.705198|2.356474|2.032803|1.963401|2.148347|2.542121|13.405211|4.446237|6.858768|15.096150|9.522677|8.907836|5.649442|4.949328|5.657511|8.939958|17.830246|31.578222|0.057465|0.068093|0.094463|0.059109|0.064943|0.066018|0.051801|0.056381|0.076343|0.108207|0.112364|0.143494|0.124026|0.107502|0.216096|0.500000| 2619.550627 -13679.885511 4944.313678 -253.742437 -6369.763643 3747.518555 -2622.245087 2.001029 BD73AFFFFFFFFFF2 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