Version2.4 2021-05-29T02:33:15Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 22-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3cc(cc(c3C)C)C(=O)[O-])[N+](=O)[O-] C13087784 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3cc(cc(c3C)C)C(=O)[O-])[N+](=O)[O-] C01[X(C20H22N3O8S2)] 159 C1 547 [O-]C(=O)c1cc(C)c(c(c1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1cc(ccc1C)[N+](=O)[O-])C [O-]C(=O)c1cc(C)c(c(c1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1cc(ccc1C)[N+](=O)[O-])C Cc1cc(cc(c1C)[S](=O)(=O)N2CCN(CC2)[S](=O)(=O)c3cc(ccc3C)[N+]([O-])=O)C([O-])=O InChIKey=PLOZANJIVKTLGH-UHFFFAOYSA-M InChI=1S/C20H23N3O8S2/c1-13-4-5-17(23(26)27)12-18(13)32(28,29)21-6-8-22(9-7-21)33(30,31)19-11-16(20(24)25)10-14(2)15(19)3/h4-5,10-12H,6-9H2,1-3H3,(H,24,25)/p-1 InChI=1/C20H23N3O8S2/c1-13-4-5-17(23(26)27)12-18(13)32(28,29)21-6-8-22(9-7-21)33(30,31)19-11-16(20(24)25)10-14(2)15(19)3/h4-5,10-12H,6-9H2,1-3H3,(H,24,25)/p-1/fC20H22N3O8S2/q-1 Cc1ccc(cc1S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3cc(cc(c3C)C)C(=O)[O-])[N+](=O)[O-] C01[X(C20H22N3O8S2)] 159 C01 547 [O-]C(=O)c1cc(C)c(c(c1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1cc(ccc1C)[N+](=O)[O-])C O=[C](=O)[C]1[CH][C]([C]([C]([CH]1)[S]([O])([O])N1CCN(CC1)[S@@]([O])(=O)[C]1[CH][C]([CH][CH][C]1C)[N]([O])[O])C)C C[C]1[CH][C]([CH][C]([C]1C)[S]([O])([O])N2CCN(CC2)[S]([O])(=O)[C]3[CH][C]([CH][CH][C]3C)N([O])[O])[C](=O)=O InChIKey=RWRAFYSMINKRMS-UHFFFAOYSA-N InChI=1S/C20H22N3O8S2/c1-13-4-5-17(23(26)27)12-18(13)32(28,29)21-6-8-22(9-7-21)33(30,31)19-11-16(20(24)25)10-14(2)15(19)3/h4-5,10-12H,6-9H2,1-3H3 InChI=1/C20H22N3O8S2/c1-13-4-5-17(23(26)27)12-18(13)32(28,29)21-6-8-22(9-7-21)33(30,31)19-11-16(20(24)25)10-14(2)15(19)3/h4-5,10-12H,6-9H2,1-3H3 3958.0210857430 -2327.2261516 1-A 21091.9958 130 417 547 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4.9120 3.9798 2.3384 4.9451 3.1806 4.1227 2.9548 3.1046 3.9930 2.5045 1.1651 1.7266 3.8538 1.5775 1.4016 12.1998 1.4213 1.2758 1.3312 10.1369 1.7225 1.9060 1.3322 3.1721 1.4246 1.3572 1.2241 1.2249 2.8520 1.1458 1.0734 3.0653 1.1278 1.0866 1.0674 1.2951 1.1171 1.1872 1.1181 2.4009 1.0707 6.3025 6.6384 5.9418 5.8292 12.3078 12.5723 1.0410 1.0512 1.0731 1.0366 1.1011 1.0951 1.0659 1.0681 1.0627 1.0990 1.1035 1.1035 1.1026 1.1078 1.0961 1.1002 1.0927 1.0919 1.0912 1.0947 1.0911 1.0929 0.0007 0.0010 0.0016 0.0062 0.0041 0.0151 0.0089 0.0185 0.0075 0.0259 0.0175 0.0214 0.0254 0.0483 0.0969 0.0515 0.0355 0.0456 0.0284 0.1446 0.1360 0.1887 0.2241 0.2481 0.3879 0.3009 0.3892 0.4005 0.3583 0.3015 0.2457 0.2519 0.3150 0.3915 0.2749 0.6042 0.4090 0.3984 0.5702 0.5582 0.5896 0.7753 0.7681 0.7780 0.9477 0.7657 0.9791 1.1372 1.0150 1.1340 0.9488 1.0647 2.4998 1.4334 1.8104 1.3109 1.5075 1.6651 1.4175 1.7032 2.2600 3.6228 2.1744 2.4482 3.5385 0.8039 2.7796 0.7519 1.9597 1.7002 3.8004 3.5104 2.0177 0.9947 1.1209 0.9979 0.9329 1.1238 1.0049 1.6942 1.4648 1.1232 1.9651 1.4561 1.7254 1.4180 1.2969 1.8188 6.4116 2.0049 4.4611 3.7832 2.2359 4.7706 3.0909 4.0663 2.9673 3.1636 4.1035 2.6124 1.2819 1.9204 4.5087 1.8528 1.6525 14.8300 1.8552 1.6903 1.7794 13.7394 2.3953 2.6517 1.8737 4.5178 2.0511 1.9574 1.7766 1.7926 4.3225 1.7839 1.6777 4.8233 1.7753 1.7231 1.6985 2.0669 1.7871 1.9002 1.8027 3.8904 1.7428 11.3549 12.1104 11.2207 11.0931 25.2208 27.6119 6.2456 6.3488 6.6108 6.3891 6.7883 6.8344 6.6658 6.7097 6.7175 6.9721 7.0875 7.1610 7.1651 7.2527 7.2090 7.2735 7.3452 7.3774 7.4367 7.6271 7.6376 7.6936 2.9553 9.6252 3.5240 1.0243 0.7213 0.7848 1.7081 0.1665 1.8046 0.0604 1.1880 0.4497 1.7055 3.4667 5.4969 2.8210 2.0173 2.8436 1.3305 2.4263 0.4619 0.6065 0.8898 11.5552 2.2189 1.6308 3.9976 1.3622 2.2038 1.5131 9.2615 6.9780 12.5573 3.0077 8.5364 2.4772 5.6094 4.5411 1.0458 2.2731 10.1567 23.9784 12.3555 31.8612 13.8246 0.3883 1.9148 9.9187 8.1257 3.6430 19.3477 108.7767 106.4521 97.3705 20.0190 121.2748 58.5249 69.7809 47.0165 95.4977 80.2410 77.3469 33.8461 28.8492 25.2236 0.5957 45.9958 8.1258 22.7822 5.1595 33.2334 67.3630 525.5911 6.9724 11.0861 8.6042 2.7322 1.5150 0.2304 5.3269 18.3025 5.0919 62.2460 27.7498 74.5500 62.1369 0.6049 17.6668 161.1547 5.4661 128.7419 46.7222 6.5147 52.3873 13.2273 48.0130 16.7753 3.8385 52.0947 48.8760 15.2203 0.6070 236.7886 25.7572 16.6536 211.7070 41.4272 2.0165 17.1340 589.5172 31.2139 5.7057 64.5109 24.9611 0.3850 3.3449 1.9909 0.3870 12.5939 36.4243 0.4958 271.4754 21.9580 5.4992 5.4180 62.0123 7.8201 9.8731 2.9056 28.8353 9.1742 3.5048 37.6121 8.0625 51.3928 442.0111 537.1390 37.6005 52.5469 23.1766 15.6617 40.2312 43.3258 11.9684 21.0205 14.5891 29.4693 21.1078 5.2171 3.9688 10.2527 4.1549 5.2920 5.6439 11.7453 3.9855 0.9243 6.6127 18.2087 1.4237 2.0967 3.6974 1.7966 3.8585 1.3163 0.2898 0.4382 0.6402 0.8101 0.7792 0.9123 0.5727 1.1431 0.0818 0.5055 0.2873 0.2976 0.0907 1.9679 1.2433 3.3849 0.2011 0.4079 3.2168 2.4503 5.9922 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0.7139 0.7498 0.6635 0.6629 0.7255 0.4654 0.6540 0.6720 0.5181 0.6670 0.6469 0.7496 0.4813 0.3341 0.1182 0.6530 0.7499 0.6658 0.6193 0.4136 0.3089 0.6227 0.3851 0.6996 0.4352 0.7383 0.2333 0.6764 0.5620 0.3240 0.3942 0.2378 0.4162 0.7261 0.2593 0.1473 0.5015 0.6771 0.7099 0.6756 0.4946 0.7214 0.4920 0.6324 0.2801 0.1607 0.6877 0.7440 0.2192 0.4931 0.5719 0.0647 0.0145 0.7106 0.1331 0.1597 0.5317 0.4402 0.7429 0.7469 0.2122 0.7451 0.2320 0.7496 0.6703 0.2103 0.1463 0.0712 0.6238 0.7308 0.3366 0.7499 0.6653 0.5330 0.7495 0.4685 0.6701 0.6836 0.2917 0.2524 0.2237 0.2231 0.4605 0.1190 0.0638 0.7172 0.7176 0.1727 0.4347 0.2736 0.2472 0.6270 0.6865 0.2084 0.2615 0.2890 0.7473 0.2246 0.4801 0.2524 0.3997 0.6149 0.6920 0.7475 0.7145 0.1375 0.6246 0.5653 0.6997 0.2950 0.4299 0.7291 0.5606 0.3723 0.3724 0.6246 0.7494 0.1911 0.6632 0.5329 0.7276 0.4497 0.4440 0.7143 0.7498 0.1770 0.7480 0.7498 0.4503 0.6558 0.6323 0.4054 0.7379 0.0483 0.0539 0.1192 0.0264 0.7456 0.4785 0.1620 0.1763 0.1061 0.6829 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0.8570 0.6209 0.7921 0.7747 0.5769 0.8492 0.0921 0.1023 0.2130 0.0514 0.8542 0.6472 0.2789 0.2998 0.1918 0.8116 0.8552 0.6213 0.8510 0.8216 0.5232 0.5722 0.6633 0.5138 0.4356 0.4013 0.3547 0.3628 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 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 6 6 6 6 6 6 6 16 8 8 7 6 6 7 6 6 16 8 8 6 6 6 6 6 6 6 6 6 8 8 7 8 8 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 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 14.00307 15.99491 15.99491 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 9622.9463 32156.8855 36218.5525 0.99985 0.00068 0.01718 -0.00065 1.00000 -0.00195 -0.01718 0.00193 0.99985 1 0.00900 0.00269 0.00239 0.18755 0.05612 0.04983 17.50 24.44 28.41 46.84 54.48 74.03 85.64 89.33 126.96 142.89 151.87 162.79 177.59 186.41 207.77 219.59 234.40 250.75 283.19 296.30 324.10 384.46 391.95 404.30 435.41 448.84 456.56 469.57 481.88 490.89 514.96 539.43 542.85 549.56 564.80 573.32 642.71 651.39 677.81 695.10 722.92 748.61 777.56 785.59 805.79 821.88 841.38 862.72 877.40 881.68 905.02 927.77 949.46 981.85 1007.98 1032.64 1059.94 1108.71 1127.65 1133.68 1163.25 1225.65 1232.59 1254.07 1278.06 1320.81 1334.01 1364.51 1393.07 1436.79 1447.26 1450.91 1491.27 1540.42 1576.35 1579.94 1582.75 1605.85 1611.14 1614.88 1626.47 1663.04 1664.49 1677.47 1689.84 1694.09 1700.63 1745.29 1771.63 1782.11 1786.32 1827.54 1832.91 1841.05 1847.79 1861.57 1878.39 1892.17 1900.20 1914.37 1966.16 1976.82 2027.44 2031.40 2035.32 2066.63 2141.56 2157.59 2167.15 2182.23 2210.44 2210.93 2222.96 2236.96 2249.10 2251.08 2258.17 2267.54 2307.60 2338.82 2343.35 2351.26 2351.74 2360.37 2364.54 2367.96 2370.83 2371.38 2380.06 2386.04 2391.38 2515.95 2531.72 2575.84 2585.77 2683.23 2777.85 4591.29 4606.46 4652.37 4653.63 4654.17 4682.75 4687.39 4698.12 4712.78 4721.14 4750.42 4775.03 4778.30 4796.00 4807.18 4819.58 4859.80 4872.27 4893.31 4947.67 4959.19 4973.33 0.452014 0.481091 0.482035 0.388264 -2326.774137 -2326.745061 -2326.744116 -2326.837888 3.145128D-04 MUNgauss RevisionA2.1 retrievium 29-May-2021 DUDE Cc1ccc(cc1S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3cc(cc(c3C)C)C(=O)[O-])[N+](=O)[O-] C13087784 RHF 6-31G(d) (6D,10F) C1 496.084834 |X|Y|Z| 61.501514 41.338627 124.901420 68.223879 20 6 7 16 16 2 2 |36.858105| |12.618684|36.858105| |7.623539|13.697332|36.858105| |5.027959|7.856177|13.788764|36.858105| |4.439626|6.847232|8.018570|13.810298|36.858105| |4.967894|7.838919|6.887405|7.907210|13.785693|36.858105| |7.417309|13.569111|7.974498|6.873038|7.999080|13.771591|36.858105| |5.949250|6.809542|4.689258|4.184061|4.768047|7.059015|10.680063|388.023441| |4.167881|4.892517|3.839311|3.738490|4.561849|6.808086|7.386593|94.471858|73.516695| |6.036393|5.949916|4.228537|3.665702|3.938957|5.194288|7.266183|94.488564|13.726852|73.516695| |5.933155|5.853368|4.195545|3.643415|3.908590|5.128082|7.106182|83.159921|13.370035|13.700038|53.358707| |4.538645|4.794269|3.793213|3.475380|3.800915|4.814006|5.759510|50.863993|11.341674|8.843543|17.585299|36.858105| |3.411891|3.525448|2.935425|2.777957|3.065619|3.764530|4.171280|38.497710|10.052715|7.415013|10.449174|12.474037|36.858105| |3.213665|3.125984|2.607155|2.418824|2.591762|3.098486|3.516871|32.995427|8.091290|7.090938|9.010590|7.654331|13.002977|53.358707| |3.606317|3.373182|2.729826|2.477465|2.631810|3.187971|3.775117|38.579793|8.793087|8.980816|10.486311|6.596194|7.822939|17.720921|36.858105| |5.027846|4.413368|3.366815|2.922762|3.038751|3.728620|4.797979|50.519150|9.522446|11.888308|17.598442|7.721636|6.598803|10.464047|12.484682|36.858105| |2.871484|2.723906|2.344792|2.167067|2.258983|2.589164|2.904556|24.784872|5.910794|5.558104|6.496071|5.554739|7.135394|15.564904|7.148161|5.599851|388.023441| |2.651329|2.453411|2.121766|1.950225|2.012778|2.285363|2.572131|22.036171|5.204966|5.226601|5.475171|4.190600|4.986411|10.480564|6.683097|5.105289|94.201667|73.516695| |3.191189|2.986554|2.581401|2.350853|2.403042|2.714986|3.085476|24.953196|5.718502|5.521996|6.780750|6.025931|6.314993|10.229620|5.682750|5.508938|94.168340|13.806756|73.516695| |2.359754|2.320782|2.061212|1.961009|2.067967|2.330936|2.500947|20.553108|5.184022|4.567796|4.935049|4.403928|5.936788|9.636914|4.728686|3.845790|76.568914|12.690044|12.948297|36.858105| |2.278650|2.267242|2.053187|1.969482|2.064483|2.283607|2.414341|18.963870|4.766138|4.172671|4.490517|4.129255|5.067337|7.071674|3.766063|3.333655|50.508829|9.021425|11.934130|13.706825|36.858105| |1.985595|2.002026|1.846147|1.799841|1.893863|2.065488|2.134231|16.464046|4.221489|3.650737|3.723395|3.335510|3.992884|5.370568|3.041745|2.720241|33.934806|6.830830|8.032844|7.916525|13.756559|36.858105| |1.825514|1.843517|1.698666|1.664647|1.764051|1.930434|1.981753|15.510961|4.048689|3.480273|3.421386|2.973974|3.651019|5.032369|2.906657|2.528963|30.124331|6.446528|6.651372|6.976497|8.040909|13.786108|36.858105| |1.862235|1.867794|1.699807|1.656407|1.762800|1.954510|2.024023|16.301603|4.284265|3.691262|3.594177|3.059261|3.917509|5.714693|3.273294|2.722670|33.460222|7.416741|6.775104|7.978531|6.853098|7.826808|13.683043|36.858105| |2.097137|2.077135|1.856790|1.785286|1.897411|2.135784|2.257741|18.717135|4.857268|4.234912|4.266992|3.631470|4.903618|7.897302|4.233406|3.337184|48.673012|10.484120|8.632726|13.559951|7.786141|6.715170|7.889130|13.651401|36.858105| |2.069040|2.031963|1.801110|1.724809|1.836636|2.084131|2.218797|18.935976|4.939568|4.400742|4.219278|3.382956|4.518567|7.843702|4.612869|3.428304|42.252170|10.791018|7.366371|7.380970|4.938107|4.378194|5.023520|7.601890|12.573714|36.858105| |1.665806|1.675191|1.534366|1.504773|1.604923|1.770487|1.816626|14.607899|3.883139|3.362205|3.115271|2.565110|3.190828|4.626888|2.824137|2.363028|25.485675|6.031918|5.288325|5.018061|4.437099|5.012708|7.602047|12.578069|7.522698|6.560764|36.858105| |1.867381|1.897615|1.785399|1.756322|1.833543|1.958094|1.997373|14.892187|3.796870|3.307545|3.304445|2.934555|3.282955|4.266082|2.536772|2.365448|25.934985|5.406335|6.644032|4.967743|7.456800|12.294030|7.454869|4.942292|4.343193|3.228804|3.768776|36.858105| |1.990535|2.020096|1.911342|1.872219|1.934602|2.049558|2.100368|15.372210|3.855131|3.398320|3.449080|3.091262|3.309358|4.239748|2.545840|2.442869|25.991971|5.349993|7.131422|4.576473|6.867372|8.127123|5.284915|3.988029|3.788511|2.920255|3.122400|15.502840|73.516695| |1.677031|1.711312|1.623165|1.610164|1.684543|1.786272|1.802978|13.394306|3.447772|3.001736|2.902452|2.520061|2.809947|3.665075|2.234308|2.079646|21.556752|4.665252|5.392979|4.010311|5.282969|8.127237|6.859574|4.569035|3.797048|2.934874|3.750977|15.493926|15.145001|73.516695| |3.315714|4.496336|5.138924|7.789190|13.095487|7.784557|5.132739|26.369993|6.799386|5.613653|4.271111|3.163602|2.698922|3.118361|2.287517|2.538267|14.355220|3.211465|3.768480|1.901461|1.913081|1.790636|1.682445|1.671637|1.769483|1.709223|1.538289|1.752448|3.264421|2.899057|53.358707| |2.988816|3.884935|4.687003|7.095666|8.394119|5.426262|4.096840|21.833244|5.506838|4.813208|3.665457|2.718669|2.348650|2.766814|2.026629|2.241169|13.013879|2.935125|3.436643|1.733739|1.758334|1.658228|1.556688|1.537124|1.615407|1.556649|1.419774|1.642211|3.070979|2.731835|21.689540|73.516695| |2.976015|3.880817|4.100740|5.429590|8.389074|7.081450|4.678682|26.205206|7.233677|5.517301|4.197581|3.156253|2.780713|3.179214|2.313497|2.503789|14.443006|3.224304|3.726125|1.940113|1.942347|1.832007|1.738310|1.733761|1.825973|1.769133|1.605309|1.782964|3.283956|2.965713|21.748513|16.013012|73.516695| |17.588176|8.883000|6.015080|4.341342|3.976269|4.516302|6.505721|41.807041|7.366151|9.962978|9.605127|5.366598|3.871920|5.015525|4.105759|6.061495|23.765281|5.404219|6.842649|2.659722|2.567401|2.193866|1.992159|2.029264|2.313045|2.259037|1.789866|2.049628|3.913753|3.233361|4.165680|4.907323|4.973698|0.500000| |17.619538|8.858193|5.848226|4.272338|3.967197|4.572050|6.683892|44.836356|7.655449|13.522010|7.969298|4.225402|3.323707|4.386025|3.787997|5.333851|20.092307|4.751975|5.400392|2.306303|2.185848|1.908987|1.777808|1.836850|2.079540|2.092273|1.657450|1.776770|3.326664|2.852462|4.160837|4.880837|4.993226|0.302519|0.500000| |17.600667|8.912920|7.430304|4.830253|4.014743|4.172623|5.540105|31.740448|6.029834|8.187165|6.102147|3.701441|2.900496|3.765564|3.046704|4.022700|18.177857|4.252354|5.082555|2.137362|2.088188|1.838565|1.689735|1.711952|1.907660|1.876055|1.539223|1.750872|3.332359|2.809494|4.203357|5.114448|4.860902|0.301276|0.300704|0.500000| |7.136691|8.943972|17.738276|8.980598|5.692821|4.961140|5.661196|27.507487|5.700088|6.501157|4.949524|3.310866|2.623921|3.250026|2.502240|3.069547|15.659668|3.586342|4.347002|1.935615|1.937339|1.746427|1.604340|1.600335|1.742921|1.689722|1.447208|1.700655|3.250828|2.753893|5.680606|7.185575|6.059880|0.158186|0.151703|0.232178|0.500000| |4.105350|5.608694|8.895458|17.785735|8.947507|5.643664|4.957414|24.089274|5.529843|5.428210|4.138724|2.956072|2.434730|2.921698|2.181478|2.524283|13.925491|3.154928|3.775955|1.796072|1.818588|1.680027|1.556006|1.539184|1.643155|1.583615|1.405465|1.658124|3.147055|2.720795|9.782465|14.191309|8.835710|0.100798|0.098930|0.114941|0.215480|0.500000| |4.052898|5.604820|4.966239|5.639694|8.917492|17.803925|8.924759|48.404094|14.507506|8.769339|6.630323|4.748013|3.940998|4.326334|3.228088|3.603113|18.485103|4.066863|4.724981|2.385726|2.320679|2.117165|2.001551|2.038395|2.217706|2.174291|1.858109|1.992494|3.661189|3.249212|9.743507|8.806159|14.085785|0.106003|0.107824|0.095851|0.107777|0.124307|0.500000| |4.554553|4.581547|3.736730|3.356382|3.508747|4.175425|4.975113|39.019732|8.446076|7.509162|12.536058|17.638966|8.840830|9.223617|5.730810|6.915506|42.267730|7.755945|13.527774|4.563003|4.476598|3.509440|3.019184|3.032626|3.586838|3.241819|2.503631|3.134160|6.057754|4.690213|3.994664|4.598267|5.095074|0.158197|0.113669|0.105966|0.093294|0.080592|0.110442|0.500000| |4.403822|5.118084|4.159092|3.974309|4.552407|5.944875|6.585740|50.300165|12.269866|8.339361|12.343066|17.618611|8.855283|7.602707|4.956545|5.621226|30.906109|6.076392|8.334267|3.788860|3.705931|3.134901|2.808842|2.834153|3.231015|2.994537|2.415960|2.846461|5.349643|4.400442|5.116686|5.593954|6.713401|0.136964|0.111434|0.100888|0.097773|0.092531|0.165229|0.302132|0.500000| |3.006491|3.134578|2.708977|2.610635|2.868552|3.397646|3.613395|30.429154|8.058159|6.058184|7.608768|8.861283|17.628837|12.393300|5.664278|4.942776|49.539873|8.326434|11.322774|7.044766|6.437819|4.971843|4.379285|4.525925|5.522373|4.602984|3.521005|3.979775|7.077995|5.902326|3.523087|4.050939|4.758146|0.094169|0.080081|0.072835|0.067963|0.064576|0.098918|0.215887|0.210592|0.500000| |3.211740|3.407298|2.849671|2.752520|3.122717|3.919899|4.197208|40.569669|12.180208|7.719910|9.277432|8.857741|17.589082|12.581881|7.040505|5.765553|38.382124|7.501979|8.325479|4.897731|4.199596|3.541170|3.393333|3.713554|4.489672|4.387395|3.162506|2.954534|5.192155|4.631129|3.798616|4.262843|5.240740|0.097438|0.088680|0.075903|0.070059|0.066928|0.119512|0.173900|0.216753|0.302528|0.500000| |3.230752|2.949270|2.440547|2.212598|2.313830|2.727482|3.184863|30.463990|6.971676|7.580623|7.612499|4.929138|5.672436|12.448183|17.664212|8.836817|49.677980|14.466573|9.514367|4.567121|3.580507|2.913578|2.818855|3.218908|4.198432|4.801987|2.812539|2.424943|4.301515|3.821434|2.769507|3.249623|3.644000|0.101464|0.095149|0.077900|0.063302|0.054846|0.076194|0.128173|0.108707|0.127212|0.144012|0.500000| |3.392308|3.279465|2.664259|2.459327|2.665360|3.279210|3.803225|41.021760|10.140091|9.698308|9.388264|5.820437|7.076956|12.588183|17.554585|8.854076|38.354069|9.121179|7.820546|4.123312|3.342789|2.807489|2.752164|3.129964|3.932392|4.456949|2.787995|2.360672|4.162858|3.758323|3.182784|3.652496|4.268634|0.102786|0.100822|0.079660|0.067157|0.060070|0.094792|0.133289|0.131153|0.144021|0.210950|0.301763|0.500000| |5.292646|4.433189|3.356750|2.879025|2.961721|3.608147|4.699326|49.745341|9.043221|14.573990|12.400631|5.630417|4.941549|7.603497|8.811693|17.674155|31.135978|7.628624|7.616813|3.208819|2.817313|2.366065|2.232863|2.406469|2.886740|3.037557|2.140709|2.087509|3.818106|3.310990|3.360514|3.893428|4.309880|0.166608|0.171294|0.117389|0.085729|0.069178|0.096084|0.142190|0.126733|0.108672|0.129305|0.209732|0.213832|0.500000| |5.050728|4.216362|3.301337|2.826207|2.856341|3.375092|4.279381|38.786888|7.574185|9.193235|12.568348|6.974773|5.804042|9.363981|8.846618|17.594627|43.178388|9.873272|11.877645|3.954109|3.496638|2.800775|2.549929|2.702628|3.308892|3.300930|2.315191|2.452947|4.574984|3.793860|3.258933|3.817869|4.144511|0.182278|0.141916|0.115821|0.085768|0.068604|0.088883|0.205426|0.142401|0.130185|0.133548|0.213660|0.173663|0.301373|0.500000| |2.444445|2.420610|2.198673|2.093022|2.168891|2.381320|2.538359|19.492236|4.785893|4.264579|4.707409|4.402676|4.979077|6.722610|3.693217|3.444187|48.436293|8.552939|14.190781|8.858778|17.791790|9.005280|5.710379|4.947467|5.572450|4.028282|3.551577|7.005782|13.885856|8.637599|2.710687|3.264943|3.551994|0.077573|0.064160|0.062442|0.057888|0.053680|0.066205|0.141152|0.109469|0.172088|0.111457|0.096710|0.089530|0.080296|0.103404|0.500000| |1.670766|1.695992|1.579503|1.559834|1.652145|1.789536|1.817531|14.031824|3.678873|3.166849|3.031143|2.597315|3.093322|4.193351|2.510482|2.222548|24.322306|5.369524|5.534908|5.007495|5.721508|9.072946|17.738877|8.878559|5.619167|4.096344|7.055555|7.062969|8.687147|14.015971|2.168519|2.637035|2.933629|0.050193|0.045193|0.043247|0.041557|0.040784|0.051623|0.072984|0.069423|0.100882|0.081621|0.067786|0.066932|0.055280|0.062076|0.125898|0.500000| |2.061318|2.053868|1.818777|1.756810|1.893832|2.165930|2.280361|19.696639|5.304189|4.549415|4.261549|3.404618|4.637776|7.568457|4.561654|3.375545|35.607261|8.664147|6.542652|5.925173|4.309202|3.951047|4.570533|6.619962|8.858875|17.519892|6.353256|3.006691|4.842020|4.935453|2.413398|2.853668|3.297700|0.061819|0.058161|0.051670|0.047049|0.044707|0.063701|0.087812|0.085214|0.129330|0.133615|0.126434|0.130621|0.083876|0.087537|0.099911|0.107208|0.500000| |2.232984|2.156076|1.888007|1.785583|1.889855|2.158246|2.342062|20.395979|5.195507|4.812645|4.642564|3.605531|4.754300|9.217128|5.663434|3.971444|49.737841|14.560264|8.144515|6.944043|4.617369|3.889491|4.157404|5.580740|8.757014|17.714450|4.810385|2.962979|4.915363|4.731070|2.364651|2.808453|3.174134|0.068231|0.063274|0.055953|0.049274|0.045320|0.062006|0.096143|0.086277|0.127141|0.125503|0.175463|0.146642|0.097361|0.106156|0.109687|0.095813|0.302009|0.500000| |1.867204|1.827570|1.636978|1.571242|1.663040|1.864463|1.973924|16.541648|4.292219|3.909549|3.609793|2.842694|3.595551|5.971243|3.761573|2.928393|33.324593|9.037340|6.234490|5.695519|4.216917|3.947329|4.681240|6.991087|8.875216|17.564767|7.102823|3.000489|4.785995|4.973165|2.121555|2.543190|2.863725|0.056213|0.052549|0.047528|0.042959|0.040363|0.053849|0.076626|0.071099|0.102030|0.097766|0.111399|0.101825|0.073862|0.079259|0.097302|0.110519|0.302641|0.303878|0.500000| |1.688282|1.708207|1.558863|1.534391|1.650247|1.833550|1.872642|15.235312|4.121127|3.505317|3.199966|2.614373|3.296822|4.736629|2.924087|2.415601|24.594170|5.823226|5.064007|4.579529|3.951416|4.260839|5.847244|8.775445|6.708114|6.754914|17.529299|3.307552|5.011135|5.813210|2.158538|2.588654|2.964870|0.050083|0.046925|0.043130|0.040629|0.039694|0.053978|0.069437|0.068758|0.099322|0.093815|0.080149|0.082269|0.061086|0.064581|0.090077|0.151411|0.210067|0.136236|0.195380|0.500000| |1.599722|1.592478|1.458602|1.422662|1.506574|1.656872|1.712114|13.781784|3.618670|3.220534|2.937395|2.369246|2.890399|4.318215|2.711321|2.269281|24.292039|6.042240|5.030893|4.539870|3.952457|4.293441|5.932218|8.779713|6.584352|6.472690|17.520802|3.334566|5.028603|5.889911|1.959576|2.371457|2.657134|0.047719|0.044428|0.041229|0.038418|0.036979|0.048000|0.064665|0.061524|0.086362|0.079125|0.076842|0.074014|0.057663|0.062130|0.090099|0.154770|0.163574|0.135256|0.226886|0.302595|0.500000| |1.559312|1.577384|1.459214|1.440755|1.535447|1.677450|1.704585|13.470906|3.585284|3.097097|2.841602|2.344612|2.841343|3.994712|2.473565|2.124577|21.959674|5.155454|4.743102|4.203615|4.009845|4.816538|7.401300|8.880831|5.573078|4.795580|17.587770|3.848719|5.551523|7.185605|2.021032|2.449193|2.758124|0.046326|0.042907|0.040251|0.038314|0.037596|0.048897|0.063915|0.062324|0.087762|0.078380|0.067956|0.067948|0.053778|0.058060|0.091298|0.228756|0.131717|0.105289|0.141267|0.302041|0.302213|0.500000| 2324.000089 -13421.475128 5060.585385 -248.357916 -6285.247569 3958.021371 -2327.226199 2.001388 3D3B000000000006 452D9EA81FF16DEB 44AD46D3A50266B7 41D4945340000000 3819B9B03AE18FD0 43523308769D8F7B