Version2.1 2021-01-08T12:33:55Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 23-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(c(c1)N)S[C@H](C[N+](=O)[O-])c2ccc(cc2)[C@@H](C[N+](=O)[O-])Sc3ccccc3N C02145324 RHF 6-31G(d) (6D,7F) c1ccc(c(c1)N)S[C@H](C[N+](=O)[O-])c2ccc(cc2)[C@@H](C[N+](=O)[O-])Sc3ccccc3N C01[X(C22H22N4O4S2)] 156 C1 532 [O-][N+](=O)C[C@H](c1ccc(cc1)[C@H](Sc1ccccc1N)C[N+](=O)[O-])Sc1ccccc1N [O-][N+](=O)C[C@H](c1ccc(cc1)[C@H](Sc1ccccc1N)C[N+](=O)[O-])Sc1ccccc1N Nc1ccccc1S[C@H](C[N+]([O-])=O)c2ccc(cc2)[C@@H](C[N+]([O-])=O)Sc3ccccc3N InChIKey=MOFMVNPNHQYOEK-FGZHOGPDSA-N InChI=1S/C22H22N4O4S2/c23-17-5-1-3-7-19(17)31-21(13-25(27)28)15-9-11-16(12-10-15)22(14-26(29)30)32-20-8-4-2-6-18(20)24/h1-12,21-22H,13-14,23-24H2/t21-,22-/m1/s1 InChI=1/C22H22N4O4S2/c23-17-5-1-3-7-19(17)31-21(13-25(27)28)15-9-11-16(12-10-15)22(14-26(29)30)32-20-8-4-2-6-18(20)24/h1-12,21-22H,13-14,23-24H2/t21-,22-/m1/s1 c1ccc(c(c1)N)S[C@H](C[N+](=O)[O-])c2ccc(cc2)[C@@H](C[N+](=O)[O-])Sc3ccccc3N C01[X(C22H22N4O4S2)] 156 C01 532 [O-][N+](=O)C[C@H](c1ccc(cc1)[C@H](Sc1ccccc1N)C[N+](=O)[O-])Sc1ccccc1N [O][N]([O])C[C@H]([C]1[CH][CH][C]([CH][CH]1)[C@H](S[C]1[CH][CH][CH][CH][C]1N)C[N]([O])[O])S[C]1[CH][CH][CH][CH][C]1N N[C]1[CH][CH][CH][CH][C]1S[C@H](CN([O])[O])[C]2[CH][CH][C]([CH][CH]2)[C@@H](CN([O])[O])S[C]3[CH][CH][CH][CH][C]3N InChIKey=MOFMVNPNHQYOEK-FGZHOGPDSA-N InChI=1S/C22H22N4O4S2/c23-17-5-1-3-7-19(17)31-21(13-25(27)28)15-9-11-16(12-10-15)22(14-26(29)30)32-20-8-4-2-6-18(20)24/h1-12,21-22H,13-14,23-24H2/t21-,22-/m1/s1 InChI=1/C22H22N4O4S2/c23-17-5-1-3-7-19(17)31-21(13-25(27)28)15-9-11-16(12-10-15)22(14-26(29)30)32-20-8-4-2-6-18(20)24/h1-12,21-22H,13-14,23-24H2/t21-,22-/m1/s1 3466.4580546541 -2157.9423389 1-A 19897.1276 123 409 532 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2.0405 1.6120 1.7392 2.8385 2.9820 2.6522 2.7272 1.9464 1.7652 1.7710 1.1816 1.1943 2.2674 2.0853 1.6527 1.8692 1.5826 1.6141 1.2908 1.3074 1.7254 2.8526 2.6085 1.5606 1.5597 1.4459 1.9458 2.0990 1.6670 2.0503 1.9667 3.2756 3.4498 3.4731 1.6931 1.6883 3.7951 3.7069 20.3873 23.1210 3.9933 9.7335 9.4121 10.5696 7.9246 7.7699 10.6042 2.4782 2.4924 17.9759 21.7461 6.7427 6.7475 7.0403 7.0793 7.2039 7.2065 7.2593 7.2582 7.3585 7.3530 7.3009 7.3065 7.3713 7.3701 7.3775 7.3698 7.4652 7.4622 8.9441 9.0378 9.8950 10.0328 0.0507 0.2253 0.4355 0.7300 0.3923 2.1613 3.3446 0.2312 1.1536 0.9859 0.2468 1.4696 2.2261 0.3797 1.6906 3.6668 0.2658 0.6687 2.0894 0.1169 3.9961 1.9416 9.5052 1.1892 15.5294 6.8400 2.9531 39.7838 1.4731 36.3129 2.6999 0.0885 0.5383 1.8671 0.0391 8.2642 13.8179 21.4075 20.5903 73.8991 90.8326 145.9830 41.6951 9.2825 7.9811 18.1844 55.1039 2.8296 241.3476 3.3757 1.2933 23.4341 2.3946 3.4746 57.7513 24.7444 49.3316 7.1523 5.7766 8.3253 0.6112 79.4149 87.4692 3.8056 7.3150 1.1456 2.7257 24.4866 0.3241 7.9621 8.0365 5.9568 10.0869 0.9122 0.1636 0.2056 27.2086 15.6870 0.6429 0.5751 7.0455 4.0312 0.4104 1.5122 0.5668 2.8263 8.7085 1.6859 20.2095 22.2329 0.6783 29.8299 46.2906 3.3325 5.5062 13.4358 0.1825 0.4174 0.6654 10.8373 11.9981 10.5744 13.9551 14.1116 5.5146 7.7127 11.2557 12.2381 13.7845 28.9700 32.8973 2.6467 17.3550 21.2032 5.1694 31.0099 51.3262 9.9770 7.9820 45.9058 54.1142 142.9049 88.7103 18.6289 22.8884 17.0751 3.3092 25.9276 30.4202 0.2600 46.4351 269.6862 461.0603 592.5016 3.6095 4.5479 0.6972 0.6482 8.4686 8.2782 15.1910 9.6864 0.6750 1.2250 14.7879 14.4981 15.9319 23.0453 10.5858 12.2477 17.5508 17.2436 22.7752 54.3649 24.6863 58.1364 3.6840 1.5105 3.2450 3.1405 6.6870 1.1171 0.8510 5.7608 2.4803 1.6135 2.1982 1.7564 0.4707 4.0864 4.5218 0.9653 5.2605 1.4999 0.5582 1.0911 0.3660 0.5280 0.5119 0.9574 2.0242 2.3803 2.3024 0.7146 7.2410 1.4798 1.0702 0.4003 2.1300 1.1710 0.1757 1.9076 1.7056 1.0721 0.9637 1.6904 6.6867 4.9644 2.1444 2.6472 6.2082 2.5080 4.1809 2.8678 4.5911 6.3985 13.8645 1.6211 12.4739 4.8121 18.0723 45.4522 2.3131 2.3658 1.6637 23.0418 7.4328 0.9290 1.1061 8.6871 14.6791 2.7639 11.7606 0.1267 1.3888 3.0105 2.3651 19.7435 6.1043 0.2355 1.0974 0.2977 3.4168 4.0677 4.1036 1.6991 13.3414 12.2207 0.3512 0.5505 7.7733 8.2568 13.1796 1.1010 13.2008 18.4102 0.6035 8.7227 15.0229 6.2740 5.7649 4.3796 67.7516 10.5401 1.5029 0.7051 1.9365 9.5992 7.8741 2.1869 20.4893 11.0259 31.3879 5.4169 18.6647 2.8178 9.9587 0.5561 1.5530 0.1783 4.7135 0.8065 2.3298 9.6268 10.1050 3.7071 2.3564 12.0400 12.8701 0.4742 10.1675 14.5744 1.5460 21.9518 32.7147 160.6786 13.9009 8.1218 2.9394 1.6583 79.9920 82.3639 15.5273 15.4851 65.2670 53.4299 38.1660 35.4219 23.6259 21.3844 117.4755 106.7261 11.5760 72.6366 108.4388 154.8455 185.0614 159.8154 96.0467 122.7804 36.8000 51.7436 0.7413 0.7223 0.6962 0.7449 0.7487 0.7219 0.7485 0.7472 0.7182 0.6790 0.7034 0.6252 0.6519 0.5192 0.7487 0.7085 0.6257 0.7500 0.1789 0.5879 0.7173 0.7499 0.5853 0.7412 0.6396 0.7179 0.5477 0.6162 0.0735 0.7494 0.5965 0.5535 0.3095 0.5585 0.4035 0.4495 0.4440 0.6828 0.6107 0.7099 0.4577 0.6215 0.3991 0.2335 0.5846 0.5031 0.7418 0.4965 0.7461 0.7405 0.2805 0.4567 0.0601 0.2842 0.2872 0.3012 0.6177 0.4160 0.7401 0.3016 0.1945 0.5064 0.6568 0.2396 0.1050 0.4604 0.3250 0.7172 0.7477 0.7105 0.7482 0.0973 0.1177 0.3227 0.3567 0.5510 0.7214 0.6137 0.6048 0.0887 0.1296 0.0984 0.1649 0.3252 0.1161 0.2566 0.6197 0.7475 0.1894 0.2359 0.4597 0.6850 0.6589 0.7421 0.6451 0.3460 0.1441 0.3198 0.4507 0.7408 0.7409 0.7397 0.7495 0.1185 0.1705 0.2243 0.3419 0.4430 0.5762 0.2497 0.1423 0.7189 0.5055 0.7276 0.3017 0.2804 0.1086 0.7500 0.7445 0.3761 0.5872 0.4035 0.3245 0.7448 0.3678 0.4078 0.7500 0.7464 0.7310 0.4055 0.7365 0.6005 0.5488 0.5185 0.1609 0.1629 0.2254 0.2194 0.6072 0.6090 0.6836 0.7428 0.7439 0.7233 0.4655 0.4999 0.1538 0.7293 0.1287 0.1829 0.1468 0.0940 0.1426 0.1277 0.7182 0.7485 0.8514 0.8388 0.8209 0.8538 0.8563 0.8385 0.8561 0.8553 0.8360 0.8088 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0.2265 0.8360 0.8562 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 6 6 6 6 6 6 7 16 6 1 6 7 8 8 6 6 6 6 6 6 6 1 6 7 8 8 16 6 6 6 6 6 6 7 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 14.00307 31.97207 12.00000 1.00783 12.00000 14.00307 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 14.00307 15.99491 15.99491 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 10179.1405 28708.2935 34881.5472 0.99990 0.01431 0.00073 -0.01431 0.99990 0.00101 -0.00072 -0.00102 1.00000 1 0.00851 0.00302 0.00248 0.17730 0.06286 0.05174 12.49 14.43 24.25 39.50 53.08 66.24 74.52 76.52 81.43 85.99 101.32 103.80 126.85 144.25 164.58 210.77 246.00 252.31 275.03 321.53 336.48 383.18 415.54 424.86 438.50 445.90 478.76 493.66 513.07 531.25 601.91 617.89 632.48 644.89 660.45 727.60 732.06 739.52 746.90 794.31 803.49 819.07 844.61 865.15 876.82 885.63 894.60 908.33 975.72 983.64 1013.90 1038.66 1070.85 1071.24 1080.66 1082.74 1170.63 1181.86 1189.06 1198.35 1207.07 1218.65 1226.95 1309.71 1312.77 1315.02 1346.09 1366.99 1370.01 1377.45 1386.65 1510.80 1517.39 1557.38 1561.55 1568.73 1581.03 1583.26 1592.80 1598.61 1601.68 1604.67 1604.78 1608.43 1667.54 1669.06 1674.55 1687.84 1708.00 1715.33 1730.80 1771.83 1776.84 1818.93 1826.64 1829.61 1887.39 1900.13 1904.83 1915.98 1916.42 1934.17 1937.60 2012.86 2021.94 2028.04 2059.28 2062.70 2064.22 2089.40 2089.80 2141.92 2195.20 2207.30 2285.76 2316.80 2316.99 2328.85 2332.25 2380.03 2382.81 2412.78 2417.41 2433.78 2535.26 2541.94 2548.14 2582.11 2582.12 2621.77 2642.54 2643.32 2694.61 2697.42 4717.55 4719.84 4770.34 4782.89 4823.03 4823.17 4832.75 4836.31 4839.51 4843.57 4847.59 4849.48 4862.19 4864.96 4865.29 4865.42 4886.94 4886.97 5473.08 5503.05 5623.93 5658.05 0.451011 0.479426 0.480370 0.384782 -2157.491327 -2157.462913 -2157.461969 -2157.557557 3.206037D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE c1ccc(c(c1)N)S[C@H](C[N+](=O)[O-])c2ccc(cc2)[C@@H](C[N+](=O)[O-])Sc3ccccc3N C02145324 RHF 6-31G(d) (6D,10F) C1 470.108249 |X|Y|Z| 66.929076 35.494209 118.986525 65.628131 22 6 16 20 2 |36.858105| |13.707245|36.858105| |8.007598|13.819828|36.858105| |6.873809|7.873311|13.668126|36.858105| |7.874569|6.766476|7.868457|13.576083|36.858105| |13.841051|7.915577|6.914772|7.927173|13.596157|36.858105| |5.200785|4.546325|5.152508|7.809746|13.842996|7.948223|53.358707| |4.185671|4.712776|6.944936|10.698825|6.859322|4.689627|8.401682|388.023441| |3.624278|3.982337|5.289730|6.796177|5.319052|3.996491|6.888226|73.657854|36.858105| |3.906055|4.089747|5.166148|6.862745|6.022227|4.480886|7.997038|56.690086|17.661599|0.500000| |2.849713|3.039750|3.779131|4.619534|4.002177|3.149726|5.670761|49.398107|12.463789|0.249407|36.858105| |2.735581|2.799984|3.369514|4.261031|4.026182|3.139391|6.293149|42.629049|7.591279|0.199248|12.778343|53.358707| |2.925109|2.896207|3.404599|4.402982|4.484924|3.472970|7.513304|39.064676|6.820569|0.215471|8.270973|21.663047|73.516695| |2.414329|2.472625|2.929966|3.585335|3.404084|2.733551|5.304898|35.225609|5.441913|0.139115|8.318604|21.842348|15.993107|73.516695| |3.420680|3.949287|5.126306|5.485518|4.251059|3.509098|5.195302|47.862459|12.554654|0.248812|7.650713|6.783263|8.098168|7.149872|36.858105| |3.393996|3.837648|4.580194|4.649844|3.892900|3.411778|4.729343|34.382974|7.587821|0.206428|5.482270|5.529885|7.064044|5.920645|13.759894|36.858105| |2.975607|3.399372|3.855204|3.673663|3.139578|2.883427|3.821548|26.596061|5.017909|0.133963|4.107548|4.354235|5.516204|4.893389|7.898501|13.723380|36.858105| |2.687406|3.131878|3.584566|3.340235|2.804356|2.574708|3.426972|25.113732|4.405282|0.110847|3.790231|4.008407|4.928331|4.647220|6.784552|7.902564|13.762621|36.858105| |2.705012|3.199284|3.842815|3.624809|2.935838|2.619862|3.598567|29.291357|4.997042|0.116620|4.345913|4.427972|5.253366|5.187138|7.900970|6.910189|7.986178|13.666890|36.858105| |3.008394|3.558307|4.560707|4.548764|3.521005|2.996465|4.320765|40.811241|7.482618|0.155238|6.063971|5.667167|6.521009|6.447948|13.665995|7.985513|6.905498|7.897593|13.811315|36.858105| |2.330433|2.676330|2.925771|2.694759|2.335199|2.205373|2.879689|19.756663|3.261955|0.084580|2.932260|3.261624|4.052171|3.874706|4.406058|5.019711|7.590049|12.565466|7.487773|4.997831|36.858105| |2.294870|2.591363|2.765462|2.558439|2.264982|2.169585|2.800906|18.311099|3.043774|0.081317|2.734496|3.099227|3.915713|3.666390|3.989005|4.822324|7.431083|8.950325|5.584932|4.195539|17.670256|0.500000| |2.357126|2.761885|2.963962|2.630636|2.267385|2.176695|2.756363|18.811636|2.915082|0.075547|2.586978|2.943672|3.671118|3.534902|3.769353|4.064060|5.404243|7.625185|6.121983|4.353138|12.460400|0.249590|36.858105| |2.068475|2.366189|2.463830|2.209659|1.956776|1.909836|2.405582|15.621970|2.387981|0.063071|2.166067|2.531583|3.185511|3.071835|2.937302|3.183327|4.040440|4.985479|4.183201|3.256864|7.609856|0.200962|12.787361|53.358707| |2.017400|2.269549|2.328611|2.107500|1.896601|1.867362|2.341940|14.726744|2.281037|0.061298|2.073039|2.444437|3.107707|2.955034|2.776377|3.105460|3.974690|4.561716|3.679910|2.962596|6.786795|0.216186|8.294017|21.715577|73.516695| |1.917496|2.187733|2.272103|2.040567|1.812257|1.771155|2.238141|14.507170|2.166791|0.056971|1.988944|2.349132|2.945290|2.881472|2.601965|2.733443|3.309309|4.025008|3.645396|2.918169|5.481846|0.140489|8.315599|21.808639|15.982840|73.516695| |1.932258|2.168657|2.370705|2.251236|1.984843|1.863086|2.513488|17.068329|2.787889|0.071802|2.671818|3.014934|3.692590|3.670477|3.541200|3.769629|4.885731|6.730548|5.668552|4.099675|10.347704|0.222193|6.944581|8.150372|9.580969|8.938774|388.023441| |1.819478|1.992645|2.154553|2.093476|1.890561|1.779370|2.432389|15.790140|2.655223|0.070236|2.602472|2.980863|3.695451|3.615679|3.275788|3.645179|4.637377|5.351305|4.360162|3.506823|6.764526|0.193543|4.645085|5.927517|7.946713|6.568665|75.977136|36.858105| |1.711913|1.856307|1.965832|1.899230|1.741469|1.665131|2.240646|13.991976|2.308104|0.062263|2.241698|2.633686|3.317239|3.201764|2.768960|3.125377|3.905004|4.229428|3.455021|2.881080|5.429505|0.173770|4.139916|5.804823|8.432720|6.440160|49.455423|13.656971|36.858105| |1.605191|1.713674|1.802359|1.763180|1.642211|1.575197|2.136421|12.949278|2.140557|0.058594|2.106128|2.519080|3.201510|3.069905|2.496030|2.822392|3.372549|3.444097|2.896954|2.526057|4.035385|0.128042|3.232667|4.509724|6.567832|5.156600|33.539928|7.876823|13.821615|36.858105| |1.588671|1.683404|1.785388|1.776217|1.662454|1.579732|2.189129|13.228084|2.222636|0.060999|2.237439|2.683435|3.403467|3.274535|2.556499|2.870789|3.313882|3.303894|2.849593|2.552662|3.607268|0.110053|2.871218|3.843874|5.405332|4.457302|29.751708|6.873046|8.001871|13.708067|36.858105| |1.670470|1.779429|1.918788|1.927741|1.787235|1.673329|2.362751|14.680442|2.520659|0.068275|2.589332|3.047566|3.809142|3.714726|2.929519|3.247357|3.713777|3.747343|3.284246|2.947251|3.914049|0.114231|3.015490|3.869685|5.260336|4.489631|33.314170|7.931664|6.912715|7.919237|13.836262|36.858105| |1.793958|1.943446|2.123359|2.113409|1.920196|1.784584|2.509622|16.288988|2.813630|0.074416|2.860885|3.263045|4.014648|3.962660|3.409359|3.741728|4.470257|4.842268|4.188649|3.570736|5.146256|0.143039|3.713872|4.598336|6.078196|5.262941|48.668688|13.607733|7.875461|6.777411|7.880992|13.612955|36.858105| |1.864775|2.029156|2.264923|2.288759|2.054708|1.873969|2.703561|18.285117|3.224427|0.082975|3.402537|3.767161|4.514293|4.591470|3.926949|4.078483|4.610457|5.111787|4.840595|4.231248|4.845678|0.124999|3.581788|4.240030|5.396725|4.943337|43.685527|7.795016|5.142295|4.540570|5.191701|7.932269|13.747166|53.358707| |17.708817|8.899950|5.673454|4.951837|5.626545|8.987738|5.743039|24.074582|3.033522|0.090565|2.468588|3.250321|4.539091|3.797366|2.920685|2.961129|2.676449|2.431867|2.412301|2.615287|2.162094|0.059763|2.205339|2.685474|3.449502|3.265651|12.833507|1.708716|1.626846|1.532818|1.509928|1.572087|1.675793|2.345633|0.500000| |8.864683|17.733736|8.918543|5.614939|4.897731|5.633361|4.925554|27.768840|3.426347|0.096039|2.699312|3.358793|4.482503|3.930789|3.556945|3.529891|3.288064|3.101546|3.126858|3.335496|2.726129|0.073444|2.904812|3.416140|4.263913|4.143372|15.571290|1.988472|1.867023|1.713022|1.663718|1.744379|1.910338|2.685782|0.213520|0.500000| |5.671615|8.942874|17.734509|8.961463|5.629530|4.975142|5.687050|47.770670|5.245018|0.132755|3.807806|4.446226|5.665000|5.122054|5.554339|4.764698|4.152311|4.058161|4.537087|5.378033|3.267391|0.083586|3.381190|3.721975|4.497537|4.491975|18.587490|2.308527|2.082773|1.882429|1.853260|2.001948|2.252450|3.290969|0.124364|0.214779|0.500000| |8.946762|5.636804|4.972704|5.640572|8.906279|17.704114|9.947780|27.562539|3.436218|0.107929|2.834539|3.957002|5.822210|4.556765|3.019404|2.980906|2.559006|2.287738|2.307715|2.602174|1.991966|0.054885|1.958632|2.374514|3.055605|2.886777|12.143129|1.650656|1.557023|1.486857|1.495922|1.575913|1.662035|2.363041|0.217040|0.123971|0.107884|0.500000| |4.282363|3.998638|4.740155|7.211720|9.323648|5.816908|26.053862|50.695766|5.985660|0.193301|5.090809|8.227809|13.434943|8.687889|4.169588|3.670440|2.910078|2.614818|2.783709|3.421315|2.172323|0.058342|2.052076|2.424539|3.074910|2.944030|13.618665|1.859735|1.697566|1.619474|1.673183|1.824520|1.941347|2.884835|0.098554|0.090829|0.112138|0.148101|0.500000| |4.856364|4.048602|4.297808|5.803477|9.418274|7.446909|26.059141|33.562608|4.250551|0.139844|3.641562|5.569109|8.951083|6.228148|3.352760|3.174725|2.609985|2.323265|2.393557|2.804028|1.981558|0.054132|1.892684|2.275209|2.918091|2.764228|12.359902|1.702473|1.582831|1.522004|1.562133|1.674179|1.758327|2.553433|0.114863|0.091822|0.098623|0.224014|0.318046|0.500000| |2.607510|2.759042|3.312806|3.873179|3.468506|2.845008|4.889820|36.448028|8.832035|0.212510|17.607753|12.626493|12.682695|12.040995|7.127634|5.738023|4.359727|3.934946|4.324718|5.635484|3.054244|0.080022|2.613104|2.996572|3.784489|3.566007|20.099713|2.847177|2.431065|2.305040|2.495926|2.945626|3.229844|5.325224|0.063788|0.069151|0.092885|0.072218|0.117804|0.090573|0.500000| |2.629192|2.849296|3.547856|4.181705|3.549982|2.847887|4.951579|46.303046|8.681495|0.173819|17.683415|12.563359|10.813794|14.449651|6.660898|4.710699|3.781725|3.707486|4.485283|6.312849|2.906466|0.073852|2.594701|2.951145|3.641787|3.578432|19.327273|2.587150|2.207288|2.055735|2.175328|2.529520|2.836236|4.686404|0.063724|0.071386|0.102636|0.071241|0.120128|0.088332|0.300194|0.500000| |3.560053|3.841040|4.410698|4.650342|4.147276|3.670941|5.104935|32.400441|7.051422|0.229828|5.181214|5.598042|7.572583|5.881649|8.921977|17.711577|8.940478|5.641973|4.970942|5.659372|4.105405|0.115027|3.432771|3.836592|5.003747|4.341747|22.857917|3.242087|2.880230|2.683349|2.756954|3.061179|3.367768|4.868486|0.086552|0.096356|0.119745|0.090201|0.109276|0.097251|0.153020|0.118505|0.500000| |2.829787|3.152971|3.411772|3.241131|2.880958|2.725246|3.532579|22.644049|4.104422|0.115017|3.473353|3.860458|5.002605|4.379378|5.639881|8.938092|17.714655|8.922978|5.659846|4.968754|7.051641|0.229934|5.085166|5.550153|7.559914|5.830132|32.895465|4.736260|4.230652|3.707259|3.573335|3.850891|4.447734|5.796556|0.072209|0.085851|0.099229|0.068288|0.073800|0.068342|0.103536|0.088473|0.217023|0.500000| |2.442101|2.875926|3.390904|3.177880|2.610103|2.354304|3.229365|25.740324|4.082938|0.096460|3.739062|3.954264|4.663854|4.772933|5.639725|4.970851|5.660606|8.880102|17.708670|8.978687|6.910864|0.139767|6.296440|5.920326|6.526681|7.007928|43.005582|4.253991|3.367990|2.791914|2.718527|3.112968|3.993756|6.274756|0.061192|0.079340|0.111750|0.058109|0.069138|0.059904|0.102539|0.111227|0.107820|0.124111|0.500000| |2.878626|3.388813|4.396280|4.488515|3.450226|2.895927|4.301849|44.267153|6.908935|0.139927|6.145274|5.855884|6.500320|6.908289|8.884979|5.662038|4.969218|5.637524|8.973072|17.717861|4.082960|0.096401|3.756106|3.964034|4.677320|4.781771|25.537925|3.067651|2.554880|2.264486|2.297339|2.640096|3.145353|5.110638|0.069479|0.087949|0.145351|0.070075|0.095597|0.076673|0.148225|0.199621|0.124139|0.107797|0.217999|0.500000| |2.651759|3.170612|3.349746|2.878151|2.465710|2.397028|2.940890|19.864932|3.031689|0.079422|2.608795|2.985600|3.764237|3.555020|3.911141|4.287649|5.608781|7.125100|5.742970|4.356272|8.840038|0.211961|17.611766|12.624465|12.865160|11.896932|36.452259|3.884638|3.566446|2.909143|2.619492|2.730312|3.254385|4.316514|0.068934|0.094568|0.106835|0.059385|0.060163|0.056022|0.072304|0.071764|0.101492|0.147992|0.153533|0.103745|0.500000| |2.284228|2.693402|2.935803|2.608496|2.225628|2.117419|2.714331|19.061093|2.878645|0.073213|2.585980|2.939421|3.621688|3.568065|3.671107|3.731028|4.639523|6.609961|6.344364|4.471737|8.673779|0.173939|17.686599|12.558795|10.810418|14.487108|46.389628|4.186080|3.647460|2.902360|2.631744|2.805386|3.465169|4.725544|0.059103|0.078571|0.094836|0.052834|0.056347|0.051438|0.071640|0.073568|0.087261|0.116587|0.205891|0.111348|0.299925|0.500000| |1.700626|1.852641|1.943268|1.852295|1.696669|1.636775|2.166662|13.475916|2.179078|0.058787|2.087685|2.466729|3.116566|3.004471|2.608808|2.929253|3.673021|4.046889|3.310063|2.736691|5.517489|0.180323|4.503645|6.864697|10.529805|7.524629|47.891569|8.951733|17.727034|8.938577|5.668104|4.973521|5.631822|5.677345|0.045139|0.052333|0.057411|0.042479|0.045283|0.042514|0.061909|0.057273|0.074977|0.110916|0.090998|0.067802|0.106449|0.108210|0.500000| |1.526173|1.619894|1.684748|1.642533|1.542069|1.492825|2.006222|11.925319|1.942645|0.053556|1.901742|2.305130|2.951026|2.817181|2.233031|2.517372|2.962359|2.991540|2.544814|2.246400|3.493544|0.111430|2.935849|4.223381|6.284033|4.891630|27.801686|5.617278|8.925481|17.735120|8.866176|5.634800|4.903554|4.920520|0.040785|0.045187|0.048629|0.039340|0.042007|0.039896|0.057288|0.051483|0.067395|0.091176|0.068419|0.056416|0.074581|0.073278|0.214863|0.500000| |1.500770|1.574564|1.659634|1.660857|1.571851|1.499412|2.085220|12.314644|2.054158|0.056914|2.080885|2.540326|3.246852|3.113111|2.310195|2.578136|2.890751|2.829107|2.486211|2.278434|3.020357|0.091625|2.485472|3.349064|4.711661|3.935997|24.066769|4.951577|5.671257|8.899008|17.710606|8.982441|5.628820|5.735010|0.039796|0.043137|0.047461|0.039724|0.044222|0.041598|0.064420|0.055972|0.070122|0.086643|0.065907|0.057562|0.064053|0.063774|0.124318|0.213512|0.500000| |1.630310|1.722474|1.863725|1.899408|1.773946|1.650837|2.374573|14.615622|2.524915|0.068653|2.662856|3.169759|3.955513|3.884641|2.858108|3.113337|3.399913|3.360684|3.048686|2.835100|3.354231|0.096086|2.658333|3.382356|4.547915|3.978412|27.533732|5.643678|4.971464|5.637528|8.943482|17.702872|8.910249|9.941972|0.042548|0.046544|0.053634|0.043384|0.051279|0.046859|0.085513|0.072070|0.082795|0.096292|0.080023|0.071466|0.067939|0.069719|0.107853|0.123967|0.216834|0.500000| |1.753257|1.887974|2.103101|2.153672|1.954970|1.778330|2.609089|17.362361|3.035565|0.078514|3.324792|3.762586|4.484288|4.660109|3.526119|3.577907|3.840800|4.103971|4.037001|3.730615|3.868138|0.101431|3.025252|3.657839|4.673226|4.348072|33.732505|5.839355|4.316901|4.061930|4.862266|7.444918|9.450451|26.020187|0.045092|0.050763|0.061804|0.046080|0.057132|0.050476|0.107443|0.094122|0.089684|0.099643|0.108221|0.095159|0.075748|0.082489|0.099053|0.092085|0.114856|0.222701|0.500000| |1.894541|2.087050|2.350081|2.352624|2.080899|1.891869|2.716878|19.013033|3.284592|0.082556|3.436669|3.755627|4.443438|4.611721|4.073790|4.059246|4.618769|5.573270|5.643568|4.699188|5.288047|0.127794|3.944285|4.556163|5.615528|5.363492|51.206847|7.305944|4.781107|4.025491|4.303521|5.845587|9.413057|26.032639|0.048481|0.056619|0.070815|0.048379|0.059107|0.051950|0.106392|0.099426|0.096194|0.114295|0.157366|0.117175|0.094852|0.109612|0.113016|0.091352|0.098895|0.148378|0.319708|0.500000| 2155.686164 -12012.539252 4464.145680 -231.693277 -5624.400685 3466.458304 -2157.942381 2.001047 BC43EC27D7FFFFF7 44F8E5EDDDD383BF 4479E9082FB067CD 41C3CAA000000000 3399B604819B87C1 439BC6BEF13D37E7