Version2.0 2020-01-25T23:14:59Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Sep-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)Cc2cc(ccc2N3CC[NH2+][C@H](C3)c4ccccc4O)S(=O)(=O)Oc5ccccc5 C39528328 RHF 6-31G(d) (6D,7F) c1ccc(cc1)Cc2cc(ccc2N3CC[NH2+][C@H](C3)c4ccccc4O)S(=O)(=O)Oc5ccccc5 C01[X(C29H29N2O4S1)] 189 C1 602 Oc1ccccc1[C@@H]1[NH2+]CCN(C1)c1ccc(cc1Cc1ccccc1)S(=O)(=O)Oc1ccccc1 Oc1ccccc1[C@@H]1[NH2+]CCN(C1)c1ccc(cc1Cc1ccccc1)S(=O)(=O)Oc1ccccc1 Oc1ccccc1[C@H]2CN(CC[NH2+]2)c3ccc(cc3Cc4ccccc4)[S](=O)(=O)Oc5ccccc5 InChIKey=XGOUBQQFMUHIOI-HHHXNRCGSA-O InChI=1S/C29H28N2O4S/c32-29-14-8-7-13-26(29)27-21-31(18-17-30-27)28-16-15-25(20-23(28)19-22-9-3-1-4-10-22)36(33,34)35-24-11-5-2-6-12-24/h1-16,20,27,30,32H,17-19,21H2/p+1/t27-/m1/s1 InChI=1/C29H28N2O4S/c32-29-14-8-7-13-26(29)27-21-31(18-17-30-27)28-16-15-25(20-23(28)19-22-9-3-1-4-10-22)36(33,34)35-24-11-5-2-6-12-24/h1-16,20,27,30,32H,17-19,21H2/p+1/t27-/m1/s1/fC29H29N2O4S/h30H/q+1 c1ccc(cc1)Cc2cc(ccc2N3CC[NH2+][C@H](C3)c4ccccc4O)S(=O)(=O)Oc5ccccc5 C01[X(C29H29N2O4S1)] 189 C01 602 Oc1ccccc1[C@@H]1[NH2+]CCN(C1)c1ccc(cc1Cc1ccccc1)S(=O)(=O)Oc1ccccc1 Oc1ccccc1[C@@H]1[NH2]CCN(C1)c1ccc(cc1Cc1ccccc1)S(=O)(=O)Oc1ccccc1 Oc1ccccc1[C@H]2CN(CC[NH2]2)c3ccc(cc3Cc4ccccc4)[S](=O)(=O)Oc5ccccc5 InChIKey=DFZDYONCPMKRGR-HHHXNRCGSA-N InChI=1S/C29H29N2O4S/c32-29-14-8-7-13-26(29)27-21-31(18-17-30-27)28-16-15-25(20-23(28)19-22-9-3-1-4-10-22)36(33,34)35-24-11-5-2-6-12-24/h1-16,20,27,32H,17-19,21,30H2/t27-/m1/s1 InChI=1/C29H29N2O4S/c32-29-14-8-7-13-26(29)27-21-31(18-17-30-27)28-16-15-25(20-23(28)19-22-9-3-1-4-10-22)36(33,34)35-24-11-5-2-6-12-24/h1-16,20,27,32H,17-19,21,30H2/t27-/m1/s1 4052.2928892783 -1920.6505627 1-A 21018.6965 132 470 602 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947.9651 962.0112 965.4756 966.3506 974.2203 980.8343 991.9132 1002.4806 1041.6253 1044.8674 1051.1027 1061.2239 1069.9405 1087.9654 1088.5094 1094.8725 1101.7257 1104.4777 1107.5868 1124.2774 1126.5744 1129.4186 1129.9559 1132.6846 1134.4011 1139.4409 1149.1487 1163.1722 1177.0601 1183.8099 1201.6357 1202.3286 1211.6721 1219.7237 1221.8464 1226.9716 1253.1843 1276.0883 1284.9462 1291.9251 1294.2754 1300.8232 1301.8067 1307.1238 1311.5574 1315.5632 1326.1151 1331.6746 1337.0403 1337.9027 1360.9995 1365.5933 1375.2016 1385.0164 1401.4584 1427.2541 1443.9839 1465.7610 1466.5836 1467.8015 1475.9383 1490.3582 1507.1484 1513.0366 1526.0716 1536.0832 1559.7443 1564.1320 1590.8141 1597.7254 1618.5723 1622.3945 1629.3597 1630.7849 1639.0713 1645.2009 1654.9099 1666.2341 1670.2283 1672.9329 1681.1464 1769.8049 1781.9007 1792.9226 1797.2630 1800.8630 1803.9813 1807.8641 1818.8102 1832.0082 3144.3490 3150.9237 3225.2458 3263.2320 3279.7537 3303.5537 3313.4567 3327.7734 3344.7367 3345.0946 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1.6028 2.5645 0.9027 5.1739 0.8431 4.0644 1.9961 28.1105 116.9079 5.6383 2.8919 2.9093 1.9724 0.1031 0.2135 3.6577 2.0321 1.6257 5.2779 1.0059 3.8564 12.1685 14.3337 18.2471 31.4572 12.1108 0.5248 8.5659 112.0648 32.2521 20.2789 4.0684 4.8762 71.6807 11.6597 37.2938 43.7216 22.4617 5.3735 5.5445 70.4976 48.2423 4.2178 73.9825 7.0714 116.7615 9.0079 1.5100 10.1412 0.5363 0.3406 1.3583 36.2199 90.9721 9.8996 76.3194 126.9768 43.7094 19.9076 53.4351 13.3479 5.4347 15.0526 1.8256 0.9369 1.1592 0.1089 0.0848 0.3486 18.4623 11.8864 1.7783 1.5180 0.9480 0.5405 12.6897 2.1016 15.9705 2.2120 3.9649 30.4798 17.8900 18.3160 3.3581 4.0294 45.8898 129.9317 37.0457 53.4136 100.0041 37.1927 36.7174 19.1149 2.1321 17.5458 47.8193 143.1099 36.4069 6.8468 4.6702 22.2055 11.2047 25.4376 83.7523 11.9890 1.6365 6.0804 1.3688 26.1274 84.3119 37.0153 6.7980 3.7840 235.2929 37.0131 9.6253 24.9224 80.1307 34.0594 85.0794 12.0808 4.4252 16.5077 32.4488 18.0689 4.6573 9.0626 83.8751 24.4142 45.7555 19.2299 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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 1.00783 1.00783 1.00783 10543.9550 32275.4100 34443.3626 0.99997 0.00789 -0.00154 -0.00791 0.99990 -0.01187 0.00145 0.01188 0.99993 1 0.00821 0.00268 0.00251 0.17116 0.05592 0.05240 16.51 20.90 24.89 37.67 39.71 54.41 68.68 70.97 95.32 129.09 136.70 155.40 173.69 207.41 212.61 230.71 277.80 303.64 332.10 364.90 372.49 392.36 403.84 423.63 437.48 470.02 480.60 519.50 541.56 557.14 580.19 608.09 656.93 658.77 668.80 674.99 686.52 718.02 744.00 754.73 771.05 784.70 785.85 822.38 841.34 858.83 867.41 885.60 941.37 953.79 966.10 974.76 981.74 985.71 1029.10 1088.42 1102.62 1117.76 1147.54 1165.31 1182.73 1198.32 1217.72 1233.23 1256.80 1261.75 1272.17 1291.29 1333.94 1360.43 1363.91 1384.12 1389.10 1390.36 1401.69 1411.20 1427.14 1442.35 1498.67 1503.33 1512.30 1526.86 1539.41 1565.34 1566.12 1575.28 1585.14 1589.10 1593.57 1617.58 1620.89 1624.98 1625.75 1629.68 1632.15 1639.40 1653.37 1673.55 1693.53 1703.24 1728.89 1729.88 1743.33 1754.91 1757.96 1765.34 1803.05 1836.01 1848.75 1858.79 1862.17 1871.59 1873.01 1880.66 1887.04 1892.80 1907.98 1915.98 1923.70 1924.94 1958.17 1964.78 1978.61 1992.73 2016.39 2053.50 2077.57 2108.90 2110.09 2111.84 2123.55 2144.29 2168.45 2176.92 2195.68 2210.08 2244.12 2250.44 2288.83 2298.77 2328.76 2334.26 2344.29 2346.34 2358.26 2367.08 2381.05 2397.34 2403.09 2406.98 2418.79 2546.35 2563.76 2579.62 2585.86 2591.04 2595.53 2601.11 2616.86 2635.85 4524.02 4533.48 4640.41 4695.06 4718.83 4753.08 4767.33 4787.92 4812.33 4812.85 4836.26 4841.85 4845.64 4848.81 4851.25 4862.48 4864.45 4874.29 4881.11 4881.81 4890.08 4890.53 4897.06 4907.00 4923.20 4926.12 5250.63 5348.19 5885.39 0.574073 0.602711 0.603655 0.509595 -1920.076490 -1920.047851 -1920.046907 -1920.140968 3.154821D-04 MUNgauss RevisionA2.0 retrievium 25-Jan-2020 DUDE c1ccc(cc1)Cc2cc(ccc2N3CC[NH2+][C@H](C3)c4ccccc4O)S(=O)(=O)Oc5ccccc5 C39528328 RHF 6-31G(d) (6D,10F) C1 501.184804 |X|Y|Z| 122.217632 60.200680 49.568934 71.446608 33 6 7 8 16 29 2 1 1 |36.858105| |13.749621|36.858105| |7.920930|13.739144|36.858105| |6.804496|7.887062|13.695349|36.858105| |7.929240|6.900007|7.976662|13.694744|36.858105| |13.751140|7.965064|6.888837|7.878084|13.736582|36.858105| |4.409708|4.986874|7.484512|12.522506|7.555984|5.005555|36.858105| |3.670703|4.328624|6.248680|7.405418|5.058225|3.865637|12.554538|36.858105| |3.137588|3.745753|5.110247|5.339895|3.910430|3.186931|7.576813|13.729006|36.858105| |2.675679|3.154672|4.005427|3.993641|3.131294|2.670136|5.016145|7.896710|13.736660|36.858105| |2.567328|2.977462|3.663930|3.666582|2.968826|2.565672|4.399420|6.771621|7.899216|13.792717|36.858105| |2.837712|3.250023|4.030631|4.177074|3.391028|2.884044|4.979796|7.867873|6.907174|8.019842|13.758517|36.858105| |3.410397|3.910057|5.165123|5.810120|4.460599|3.573923|7.460421|13.622794|7.979353|6.918181|7.900502|13.734441|36.858105| |3.652109|3.948583|4.914234|5.862542|5.000954|3.989976|6.568342|7.804386|5.148819|4.546032|5.114025|7.772410|13.257049|53.358707| |2.962534|3.077177|3.620150|4.272933|3.975836|3.285020|4.894152|5.485943|4.119059|3.837321|4.401377|6.261378|7.837433|17.897148|36.858105| |2.991984|2.952353|3.311296|3.946513|4.038488|3.431558|4.172913|4.159307|3.248991|2.988513|3.278877|4.236087|5.118632|10.729804|12.543255|36.858105| |3.198780|3.109343|3.340246|3.784246|3.947127|3.578400|3.676777|3.674910|2.932551|2.736416|3.023262|3.868929|4.509964|9.234030|7.743841|12.723917|53.358707| |3.113464|2.929809|3.057898|3.453566|3.765297|3.531576|3.286824|3.178554|2.594687|2.413444|2.614380|3.220534|3.705014|6.994493|5.696478|9.172119|25.642234|0.500000| |2.842446|2.813941|3.002629|3.284862|3.328418|3.074803|3.237105|3.364220|2.764026|2.656495|3.006174|3.843368|4.207925|8.046863|6.983646|9.188808|25.678078|0.326860|0.500000| |4.113256|4.030635|4.286990|4.731074|4.869099|4.498039|4.224028|4.183440|3.254955|2.979101|3.251918|4.189781|5.105601|10.650009|6.535385|7.530209|17.029173|0.256698|0.254364|36.858105| |4.895463|4.549759|4.822829|5.678381|6.411210|5.800782|4.765638|4.335982|3.316349|2.929724|3.080583|3.853358|4.909814|9.857733|5.891417|7.036140|12.498949|0.227411|0.181694|17.639792|0.500000| |3.959857|4.269931|4.930103|5.263656|4.713490|4.122582|4.978073|5.552752|4.136935|3.825408|4.352538|6.155427|7.845888|17.856967|7.895956|6.595761|10.541566|0.159129|0.194864|12.493472|0.248597|36.858105| |3.911839|3.749428|3.685453|3.770366|3.939063|4.013408|3.287049|3.270609|2.702586|2.536990|2.759337|3.379618|3.814587|6.770730|4.418374|4.972199|10.512976|0.203287|0.200595|12.582062|0.247067|7.358815|36.858105| |3.625436|3.648187|3.523399|3.391022|3.375274|3.481125|2.978707|3.075741|2.625124|2.528016|2.782129|3.344845|3.588487|5.881117|3.773114|3.897448|7.249701|0.136624|0.152537|7.447683|0.161257|6.402650|13.711022|36.858105| |3.211378|3.170017|2.961326|2.814852|2.845937|3.027204|2.483276|2.534614|2.230830|2.166539|2.352250|2.721285|2.856911|4.476314|2.978380|3.110425|5.492288|0.109716|0.116488|4.978980|0.119102|4.370451|7.883243|13.754835|36.858105| |3.055367|2.886373|2.664415|2.589707|2.712048|2.945180|2.282854|2.270913|2.003033|1.927097|2.062331|2.360876|2.508579|3.953985|2.706735|2.940722|5.178179|0.109731|0.107655|4.430545|0.111490|3.662158|6.834357|7.961582|13.771258|36.858105| |3.214567|2.929064|2.725322|2.739752|2.971947|3.239914|2.406597|2.339679|2.031847|1.926602|2.048169|2.366822|2.574791|4.180251|2.909372|3.319785|6.033981|0.136236|0.120854|5.030637|0.130429|3.803873|7.867829|6.879698|7.928230|13.749048|36.858105| |3.632566|3.297253|3.146881|3.262989|3.590526|3.815895|2.849269|2.745976|2.317402|2.168887|2.315022|2.745281|3.073245|5.254073|3.633663|4.327736|8.634306|0.201475|0.162462|7.618224|0.193070|4.933695|13.651225|7.978852|6.896643|7.979270|13.800395|36.858105| |3.519389|3.111657|3.028165|3.290126|3.787720|3.952730|2.913812|2.724578|2.281952|2.107731|2.223793|2.629605|2.999937|5.203685|3.750841|4.836681|9.339754|0.259204|0.160615|6.989945|0.202267|4.485047|8.127353|5.276920|4.619097|5.216721|7.931607|13.975118|73.516695| |2.255481|2.621314|3.153219|3.073402|2.523626|2.224411|3.642270|4.728028|6.987869|10.767805|6.973000|4.748486|4.212487|4.351377|2.852637|2.349880|2.971180|0.054770|0.059395|2.339106|0.064259|2.837391|2.068320|2.084156|1.842273|1.658471|1.647119|1.814246|3.139647|388.023441| |1.986541|2.264007|2.645263|2.598728|2.200079|1.965175|3.014848|3.825867|4.970387|7.356613|6.513542|4.433960|3.701211|3.962620|2.697636|2.225632|2.821739|0.052054|0.057329|2.178059|0.058917|2.620964|1.947654|1.976823|1.760665|1.585004|1.566854|1.714367|2.959554|95.307536|73.516695| |2.206456|2.531023|3.039768|3.031132|2.513912|2.202187|3.658958|4.416358|6.455243|7.348066|5.002188|3.868459|3.713644|3.976161|2.640979|2.225404|2.782492|0.051891|0.054991|2.174250|0.060867|2.562121|1.919310|1.905335|1.695987|1.548779|1.553196|1.709939|2.998883|95.607470|13.651488|73.516695| |2.330276|2.770402|3.263773|3.005496|2.465018|2.229803|3.339852|4.133914|5.658304|7.231805|5.435833|4.060308|3.702298|3.965362|2.542222|2.149429|2.798460|0.051968|0.055996|2.253918|0.061988|2.713975|2.041068|2.096501|1.873985|1.677290|1.645302|1.791165|3.059883|85.353325|13.801982|14.238935|73.516695| |2.241929|2.663220|3.040949|2.745474|2.290333|2.114484|2.936868|3.603583|4.487722|5.714201|5.105390|3.916416|3.442590|3.784939|2.434076|2.070649|2.751922|0.051080|0.055777|2.227025|0.060284|2.688850|2.057711|2.161862|1.947417|1.723839|1.666545|1.796720|3.026072|51.733510|11.606875|9.159239|24.303859|36.858105| |1.934668|2.240736|2.497534|2.301757|1.973277|1.838425|2.456505|2.939487|3.519662|4.404944|4.208479|3.317134|2.883778|3.272466|2.170635|1.867373|2.484520|0.046412|0.050845|1.973962|0.053136|2.336942|1.845839|1.944076|1.776204|1.582544|1.525618|1.629477|2.748812|40.829445|11.113943|7.713003|14.074512|13.793712|36.858105| |1.838270|2.112997|2.299311|2.105392|1.833077|1.733765|2.195902|2.581743|2.949943|3.553145|3.590019|2.987230|2.600076|3.037493|2.027878|1.766763|2.388358|0.044784|0.049312|1.898582|0.050676|2.226248|1.809372|1.936009|1.791830|1.589546|1.514856|1.600521|2.675202|29.424694|8.020146|5.890307|9.256451|8.013655|13.756555|36.858105| |1.971614|2.286325|2.451876|2.198836|1.914743|1.831951|2.238557|2.618082|2.909009|3.407766|3.515210|3.042577|2.670874|3.159876|2.079407|1.822211|2.506344|0.046964|0.051870|2.023693|0.053699|2.380399|1.956278|2.133436|1.983357|1.737720|1.635434|1.718454|2.835577|25.971608|6.696277|5.280564|8.180163|6.931643|7.916524|13.737677|36.858105| |2.298836|2.738923|2.958508|2.575523|2.200095|2.104142|2.584814|3.054934|3.390548|3.917343|3.984962|3.479946|3.093823|3.610349|2.305757|2.008232|2.778654|0.051769|0.057062|2.296093|0.061052|2.750968|2.210375|2.425998|2.225348|1.926488|1.810044|1.915508|3.139877|28.250481|6.804558|5.692896|9.302009|7.997176|6.848647|7.937478|13.753271|36.858105| |2.502315|3.045141|3.433210|2.971012|2.461254|2.304733|3.050342|3.716222|4.365576|5.181499|4.905205|4.049114|3.619783|4.036119|2.527588|2.163714|2.939108|0.054427|0.059589|2.439012|0.065652|2.977263|2.283024|2.447934|2.200369|1.917625|1.831747|1.969513|3.266484|37.905286|8.410500|7.289484|14.272805|13.803196|7.889445|6.869075|7.933292|13.746318|36.858105| |17.724260|8.904244|5.636660|4.916889|5.638921|8.902362|3.531286|3.054193|2.686314|2.352363|2.276604|2.488964|2.896890|4.217184|2.596980|2.657606|3.927418|0.079444|0.072350|3.620851|0.115904|3.409826|3.649324|3.459216|3.203737|3.120292|3.253325|3.524628|5.995097|14.430595|3.217460|3.528349|3.758161|2.059125|1.799751|1.729283|1.863054|2.154212|2.300295|0.500000| |8.915961|17.716577|8.927325|5.628430|4.966051|5.655937|4.072692|3.774806|3.435888|3.000881|2.842167|3.028556|3.478260|4.668691|2.735977|2.607277|3.769346|0.072666|0.071238|3.519482|0.105570|3.773617|3.420428|3.492733|3.130510|2.819848|2.775930|3.023221|4.966088|18.234802|3.958956|4.360838|4.969849|2.744712|2.307720|2.200989|2.419681|2.936046|3.215288|0.214658|0.500000| |5.647336|8.942504|17.713231|8.899336|5.656719|4.960137|6.921971|6.862241|6.139422|4.781195|4.216650|4.443272|5.468023|6.418069|3.491926|3.075211|4.177249|0.077215|0.078546|3.828437|0.113457|4.656499|3.334036|3.304057|2.798068|2.479929|2.486252|2.823930|4.777556|26.365992|5.370599|6.219906|7.046160|3.658256|2.896893|2.626972|2.809570|3.485393|4.222554|0.124226|0.216474|0.500000| |5.646622|4.964022|5.658205|8.908863|17.688475|8.930916|7.037897|4.702959|3.656726|2.956365|2.820172|3.227548|4.217008|6.604692|4.124988|4.365455|5.515097|0.109285|0.093433|4.635304|0.169849|4.338425|3.680808|3.089681|2.627111|2.546512|2.841221|3.452947|6.794636|17.081684|3.764040|4.302739|4.081864|2.123010|1.852826|1.718961|1.777144|2.011463|2.240200|0.124153|0.107714|0.124141|0.500000| |8.911458|5.654440|4.959935|5.623273|8.919762|17.711574|4.091537|3.256327|2.740871|2.344748|2.273435|2.543578|3.077049|4.734105|3.007376|3.260819|4.659967|0.097306|0.081712|4.110527|0.146076|3.594869|3.795009|3.240650|2.895509|2.918161|3.297787|3.835228|7.365266|14.142729|3.165753|3.517880|3.526645|1.889796|1.666564|1.580986|1.664708|1.886702|2.041244|0.214449|0.124190|0.107642|0.216016|0.500000| |3.989191|4.196134|5.605325|8.936028|7.344212|4.792900|17.582287|8.922267|5.873337|4.303852|3.974053|4.630620|6.810453|9.367776|5.588139|4.898719|5.498839|0.100653|0.096531|4.400188|0.140720|4.910541|3.324755|2.919680|2.434014|2.271481|2.440726|2.930410|5.500810|22.921281|4.919298|5.789683|5.153443|2.586657|2.220183|2.004116|2.033016|2.303792|2.656256|0.090771|0.096440|0.140710|0.225500|0.114054|0.500000| |4.004548|4.513350|6.408523|8.934417|6.238306|4.451958|17.555086|8.979044|7.445568|4.835552|3.998797|4.200889|5.592890|6.573262|3.924863|3.438673|4.158722|0.077628|0.076112|3.414507|0.105590|3.891930|2.785743|2.568973|2.198952|2.041538|2.140140|2.476786|4.513783|26.653623|5.385543|7.086174|6.102781|2.926370|2.449095|2.162774|2.176877|2.493623|2.971220|0.091126|0.105481|0.173234|0.166061|0.103710|0.305252|0.500000| |3.081094|3.662713|4.918599|5.102929|3.802116|3.124371|7.038175|8.913323|17.744417|8.953363|5.646473|4.972442|5.656609|5.669941|3.461237|2.867360|3.544091|0.065306|0.067894|2.874146|0.082902|3.475409|2.436327|2.362369|2.044614|1.859384|1.890460|2.133974|3.764603|47.798675|8.185640|13.171545|10.110327|4.271672|3.375336|2.804936|2.737271|3.158466|4.061623|0.073596|0.093801|0.162833|0.099064|0.074950|0.151168|0.229701|0.500000| |2.275138|2.605023|3.087764|3.051059|2.552650|2.258087|3.526364|4.902833|5.630996|8.918034|17.762910|8.881757|5.624463|5.644652|3.776131|2.911432|3.709928|0.066195|0.076775|2.879016|0.075035|3.718814|2.517677|2.579791|2.221910|1.949412|1.918045|2.135836|3.629789|47.194569|13.315402|8.210016|9.378080|5.325319|4.689449|4.025334|3.833360|4.150904|4.904315|0.056979|0.070277|0.097403|0.067772|0.056338|0.090564|0.091063|0.124350|0.500000| |2.630173|2.944227|3.489571|3.594132|3.060025|2.670713|4.061870|5.612945|4.969721|5.688779|8.961692|17.716867|8.907961|9.708099|6.487202|4.393537|5.609576|0.093932|0.119073|4.311093|0.105309|6.283448|3.539866|3.553126|2.875259|2.470750|2.460057|2.847599|4.793058|27.889916|6.907271|5.772843|6.149716|3.476308|3.066667|2.857160|2.940279|3.288671|3.630610|0.065123|0.077005|0.103839|0.081687|0.066514|0.109101|0.096379|0.107856|0.215083|0.500000| |2.753697|2.864727|3.411941|4.106389|3.792380|3.077778|5.078154|5.674222|4.347089|4.003190|4.453267|5.957531|7.356898|12.482781|17.618872|8.968556|7.651620|0.127132|0.142526|4.905612|0.131854|5.699495|3.572485|3.123337|2.555100|2.356572|2.525945|3.068774|5.728413|21.234930|5.011212|5.008853|4.592363|2.421655|2.166793|1.997383|2.014988|2.214267|2.456562|0.067108|0.070866|0.092417|0.112371|0.078679|0.169013|0.116069|0.102181|0.105612|0.160999|0.500000| |2.639130|2.763964|3.180511|3.561258|3.301437|2.840723|3.978670|4.644480|3.744091|3.706585|4.493718|6.443887|6.689564|12.185798|17.431065|8.867149|9.380218|0.143156|0.202225|5.696498|0.134463|7.025200|4.210239|3.762616|2.994154|2.686552|2.828656|3.447851|6.134020|19.941921|4.860046|4.521047|4.443164|2.440256|2.207820|2.084026|2.137800|2.344195|2.529645|0.065459|0.069954|0.087284|0.093293|0.072875|0.119881|0.092241|0.087337|0.111337|0.213367|0.302293|0.500000| |3.247379|3.126464|3.515385|4.399036|4.752690|3.901146|4.617866|4.243891|3.273425|2.910741|3.073473|3.841571|4.836080|9.649476|8.840822|17.643899|12.449221|0.225728|0.180952|6.867904|0.210907|5.790667|4.624623|3.592591|2.922563|2.816500|3.230093|4.208062|8.807326|16.403941|3.822859|3.959587|3.764007|2.014249|1.807059|1.699806|1.749061|1.934049|2.100329|0.079202|0.075202|0.088353|0.151810|0.104050|0.159396|0.105201|0.081890|0.075169|0.105691|0.215949|0.173506|0.500000| |2.573737|2.530276|2.791396|3.249515|3.339330|2.915847|3.465372|3.484439|2.849704|2.680704|2.947317|3.676887|4.167520|7.688423|8.767107|17.619788|12.364844|0.219487|0.224825|5.539838|0.143708|4.950323|4.174915|3.393186|2.813569|2.707368|3.051183|3.829171|7.693357|15.402994|3.708403|3.663923|3.506502|1.906148|1.743881|1.656930|1.698032|1.845600|1.971154|0.064716|0.063113|0.073013|0.100882|0.078556|0.111748|0.082445|0.070808|0.074483|0.108097|0.209969|0.215210|0.299619|0.500000| |3.319440|3.594041|4.024575|4.114724|3.715242|3.365671|4.031816|4.697762|3.764934|3.702262|4.450361|6.349786|6.723731|12.243752|7.068769|5.763317|9.394619|0.143910|0.203582|8.814242|0.174130|17.441265|6.749966|6.681247|4.560768|3.688792|3.688914|4.578558|7.165626|19.859221|4.717217|4.393997|4.754218|2.715815|2.396109|2.316326|2.492891|2.852660|3.014525|0.082070|0.092112|0.110350|0.096643|0.083619|0.110278|0.091763|0.087765|0.109575|0.204784|0.143916|0.208803|0.133277|0.129807|0.500000| |4.675079|5.372665|6.274948|6.075751|5.122235|4.589225|5.259466|5.828795|4.398007|3.991940|4.380956|5.826317|7.410667|12.522437|5.712704|4.941680|7.645982|0.127782|0.142987|8.978014|0.216968|17.649639|6.702960|6.461982|4.483007|3.674456|3.704645|4.616973|7.267444|21.067608|4.762449|4.737540|5.200968|2.913727|2.480654|2.362670|2.565841|3.048479|3.327165|0.109378|0.131236|0.164443|0.122603|0.106748|0.133931|0.114477|0.103274|0.103113|0.154652|0.127939|0.143502|0.129885|0.108787|0.301072|0.500000| |3.548154|3.768144|3.750567|3.519864|3.340445|3.349590|3.141654|3.376633|2.895235|2.833917|3.183199|3.873296|4.044825|6.411058|3.962661|3.828988|6.718540|0.120538|0.143676|6.839230|0.147861|7.306001|8.896860|17.748791|8.987213|5.674852|4.958205|5.655055|7.557798|16.383219|3.888051|3.679303|4.143123|2.433879|2.171453|2.168641|2.417287|2.787918|2.801881|0.092290|0.101664|0.100838|0.084067|0.084503|0.083875|0.074908|0.071244|0.081931|0.115655|0.090784|0.111945|0.096765|0.092070|0.232670|0.215956|0.500000| |2.931361|2.967014|2.770851|2.582759|2.560902|2.711334|2.303551|2.385287|2.142879|2.111317|2.296537|2.606955|2.670946|4.039492|2.688399|2.731095|4.616181|0.091108|0.098869|4.062055|0.098982|3.835175|5.627516|8.925325|17.746186|8.911509|5.641058|4.966537|6.515963|12.937065|3.109841|2.959335|3.328158|1.973190|1.811181|1.850980|2.073852|2.321169|2.248942|0.081843|0.083631|0.074303|0.065511|0.071624|0.062067|0.057309|0.054697|0.061019|0.076669|0.064993|0.076032|0.071272|0.069396|0.113885|0.111473|0.217330|0.500000| |2.725426|2.579196|2.368662|2.288797|2.391102|2.606719|2.034435|2.024048|1.813544|1.754861|1.867695|2.101907|2.207795|3.402216|2.351807|2.531720|4.289875|0.091105|0.089525|3.545112|0.091317|3.047846|4.933241|5.654765|8.918849|17.734423|8.945806|5.671956|7.483873|10.905560|2.616976|2.554038|2.771200|1.607827|1.487834|1.503625|1.644461|1.807562|1.783345|0.078645|0.071071|0.061792|0.062654|0.072383|0.056113|0.051215|0.047136|0.049465|0.060947|0.057832|0.065171|0.067770|0.065786|0.085787|0.085517|0.124667|0.214485|0.500000| |2.933047|2.634440|2.446704|2.480343|2.727225|2.993407|2.196540|2.113399|1.852908|1.755194|1.850257|2.110815|2.290707|3.668086|2.599393|2.992727|5.210514|0.120726|0.103703|4.110308|0.110863|3.197383|5.613979|4.954567|5.636984|8.891393|17.705542|8.925370|12.747734|10.798302|2.572823|2.566399|2.692642|1.528169|1.406960|1.396388|1.498657|1.645638|1.665687|0.083685|0.069485|0.062045|0.073555|0.086950|0.062303|0.054944|0.048339|0.048329|0.060623|0.063892|0.070030|0.082191|0.078066|0.085861|0.086455|0.107597|0.123956|0.215211|0.500000| |3.264896|2.847545|2.729130|2.937653|3.406244|3.643767|2.609393|2.426312|2.068124|1.915599|2.004497|2.326796|2.621493|4.392001|3.188994|4.004150|7.072843|0.186829|0.127623|5.197095|0.152507|3.674358|6.032134|4.421259|4.153035|4.956310|7.707534|9.881626|35.665661|11.590824|2.737594|2.785167|2.834877|1.577307|1.440821|1.405835|1.487663|1.637879|1.696679|0.089180|0.071809|0.067558|0.096121|0.109635|0.076726|0.064355|0.053902|0.051495|0.066022|0.078208|0.082343|0.115470|0.103233|0.093459|0.095411|0.100693|0.093696|0.116208|0.228086|0.500000| |1.802377|2.061643|2.301298|2.161321|1.867436|1.731864|2.340121|2.774467|3.347917|4.176191|3.918941|3.083078|2.698715|3.075769|2.073900|1.788556|2.354309|0.044133|0.048123|1.846279|0.049921|2.162948|1.718253|1.789795|1.638608|1.473802|1.430724|1.529215|2.602279|41.974019|12.455440|8.201601|12.846042|8.939856|17.770324|8.868798|5.627469|4.943624|5.636906|0.046604|0.058404|0.073152|0.049195|0.043866|0.059342|0.065539|0.090699|0.121929|0.079241|0.058253|0.058541|0.048210|0.046733|0.061342|0.062961|0.054967|0.046167|0.038559|0.036844|0.037998|0.500000| |1.666378|1.888540|2.037090|1.887973|1.665735|1.580998|1.970509|2.284789|2.577384|3.058404|3.115384|2.641067|2.311470|2.743890|1.862351|1.636640|2.210545|0.041665|0.045809|1.737239|0.046357|2.008949|1.664252|1.775867|1.658170|1.481905|1.413161|1.485220|2.490470|25.332383|7.123256|5.248940|7.476798|5.683929|8.948274|17.730710|8.909709|5.645860|4.951018|0.043803|0.054444|0.063605|0.043712|0.040366|0.050547|0.054048|0.068538|0.097594|0.071222|0.051131|0.053408|0.043705|0.043001|0.058235|0.058553|0.054770|0.047643|0.039149|0.036364|0.036504|0.214179|0.500000| |1.852123|2.120389|2.233079|2.010931|1.777905|1.718729|2.025665|2.329528|2.528864|2.896362|3.028926|2.709264|2.400908|2.908205|1.934351|1.716708|2.383194|0.044907|0.049606|1.916052|0.050652|2.219835|1.880750|2.069387|1.953320|1.713269|1.599395|1.663137|2.731983|21.614298|5.615612|4.526369|6.494702|4.983124|5.639535|8.914404|17.726742|8.916256|5.644376|0.049104|0.062569|0.069792|0.045966|0.043704|0.051618|0.054550|0.066287|0.091434|0.074230|0.051809|0.055526|0.045672|0.044685|0.065049|0.066075|0.064830|0.057354|0.045376|0.040799|0.039969|0.123831|0.214903|0.500000| 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