Version2.0 2020-07-26T14:38:40Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)[C@@H](c2ccccc2Cl)[NH+]3CCN(CC3)c4c5c(csc5ncn4)c6ccc(cc6)Cl C01744791 RHF 6-31G(d) (6D,7F) c1ccc(cc1)[C@@H](c2ccccc2Cl)[NH+]3CCN(CC3)c4c5c(csc5ncn4)c6ccc(cc6)Cl C01[X(C29H25Cl2N4S1)] 177 C1 602 Clc1ccc(cc1)c1csc2c1c(ncn2)N1CC[NH+](CC1)[C@H](c1ccccc1Cl)c1ccccc1 Clc1ccc(cc1)c1csc2c1c(ncn2)N1CC[NH+](CC1)[C@H](c1ccccc1Cl)c1ccccc1 Clc1ccc(cc1)c2csc3ncnc(N4CC[NH+](CC4)[C@@H](c5ccccc5)c6ccccc6Cl)c23 InChIKey=WQAIQVFWPIAEJD-MHZLTWQESA-O InChI=1S/C29H24Cl2N4S/c30-22-12-10-20(11-13-22)24-18-36-29-26(24)28(32-19-33-29)35-16-14-34(15-17-35)27(21-6-2-1-3-7-21)23-8-4-5-9-25(23)31/h1-13,18-19,27H,14-17H2/p+1/t27-/m0/s1 InChI=1/C29H24Cl2N4S/c30-22-12-10-20(11-13-22)24-18-36-29-26(24)28(32-19-33-29)35-16-14-34(15-17-35)27(21-6-2-1-3-7-21)23-8-4-5-9-25(23)31/h1-13,18-19,27H,14-17H2/p+1/t27-/m0/s1/fC29H25Cl2N4S/h34H/q+1 c1ccc(cc1)[C@@H](c2ccccc2Cl)[NH+]3CCN(CC3)c4c5c(csc5ncn4)c6ccc(cc6)Cl C01[X(C29H25Cl2N4S1)] 177 C01 602 Clc1ccc(cc1)c1csc2c1c(ncn2)N1CC[NH+](CC1)[C@H](c1ccccc1Cl)c1ccccc1 Cl[C]1[CH][CH][C]([CH][CH]1)[C]1=CS[C]2[C]1[C]([N][CH][N]2)[N@@]1CC[NH](CC1)[C@H]([C]1[CH][CH][CH][CH][C]1Cl)[C]1[CH][CH][CH][CH][CH]1 Cl[C]1[CH][CH][C]([CH][CH]1)C2=CS[C]3[N][CH][N][C]([C]23)N4CC[NH](CC4)[C@@H]([C]5[CH][CH][CH][CH][CH]5)[C]6[CH][CH][CH][CH][C]6Cl InChIKey=HSXUNILPVQBREO-MHZLTWQESA-N InChI=1S/C29H25Cl2N4S/c30-22-12-10-20(11-13-22)24-18-36-29-26(24)28(32-19-33-29)35-16-14-34(15-17-35)27(21-6-2-1-3-7-21)23-8-4-5-9-25(23)31/h1-13,18-19,27,34H,14-17H2/t27-/m0/s1 InChI=1/C29H25Cl2N4S/c30-22-12-10-20(11-13-22)24-18-36-29-26(24)28(32-19-33-29)35-16-14-34(15-17-35)27(21-6-2-1-3-7-21)23-8-4-5-9-25(23)31/h1-13,18-19,27,34H,14-17H2/t27-/m0/s1 4345.7578798030 -2646.8137824 1-A 20624.7153 138 464 602 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1331.1130 1343.4125 1349.3052 1378.1765 1393.3295 1404.6846 1419.9000 1427.4025 1439.2000 1449.1159 1459.0193 1491.3054 1501.9567 1505.2428 1510.2592 1514.0929 1538.1573 1551.5783 1559.5507 1564.8067 1582.3036 1594.8784 1609.9253 1613.9096 1624.9540 1630.4194 1640.5616 1649.8890 1656.3083 1657.7049 1666.0723 1671.6473 1720.5250 1750.6396 1763.4225 1770.8882 1778.6827 1785.7749 1797.5997 1804.6657 1806.0933 3149.4564 3191.4642 3294.2069 3305.3386 3323.8222 3341.6994 3343.0524 3347.2679 3367.5916 3373.8768 3374.1613 3375.6457 3375.9182 3381.9478 3384.8157 3388.9095 3394.2935 3400.3052 3402.6273 3404.6755 3404.8828 3414.4952 3414.9131 3435.4442 3715.7818 8.3054 11.1559 7.6882 7.5578 5.1699 5.5863 6.1177 5.3754 4.4681 3.1692 6.2242 6.1853 7.1036 7.1469 5.6105 5.2699 5.1877 6.1702 7.0302 8.6282 5.2216 2.9540 5.7322 3.3171 4.4535 4.0572 4.6780 5.6149 4.2665 4.2425 5.3913 2.8686 5.8858 6.4751 3.1118 4.5495 2.6307 3.2856 4.1045 4.8403 4.0008 3.8360 4.0412 3.6670 7.8108 4.2859 5.1575 3.7233 5.7151 5.9989 5.0405 5.4124 6.0543 5.5142 5.8599 2.0921 4.0747 3.7748 4.3878 1.9936 1.2963 7.7262 3.5519 4.4051 4.3726 3.7120 2.3675 2.7718 1.5130 2.6551 1.2578 1.2674 1.5954 1.4278 3.1422 4.2358 2.0589 1.6165 3.5369 1.5639 3.7964 1.3893 1.3739 1.3790 1.4666 3.1892 2.3118 1.5479 2.6704 1.7894 1.3514 2.2798 3.1521 2.6843 3.0467 2.3082 1.8194 3.3555 3.7328 2.4473 3.4926 2.0570 3.3191 2.1443 4.3631 2.4869 1.1940 1.1603 1.1893 1.5653 2.6847 1.5128 1.8240 1.7550 2.2590 1.7080 1.7274 1.7958 1.7248 1.5356 1.3555 1.4192 1.2477 1.9763 1.3326 2.8301 1.3541 1.4627 2.5559 1.3476 1.2483 1.3069 1.5127 1.9947 3.1091 1.8592 1.1449 1.1028 1.1378 1.9587 1.1514 2.3743 2.1092 6.3776 6.6235 7.5668 5.4531 8.8691 5.0675 5.2633 5.0785 5.5830 1.0759 1.0740 1.0641 1.0617 1.0927 1.0876 1.0897 1.0898 1.0901 1.0978 1.0988 1.1099 1.0918 1.0904 1.0919 1.0911 1.0957 1.0963 1.0955 1.0992 1.0956 1.0943 1.0977 1.0956 1.0773 0.0006 0.0029 0.0024 0.0038 0.0047 0.0078 0.0102 0.0125 0.0112 0.0124 0.0297 0.0340 0.0899 0.1007 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7.1129 7.1559 7.1755 7.1939 7.2835 7.3623 7.3704 7.4517 7.3314 7.3477 7.3708 7.3829 7.4376 7.4684 7.4729 7.5069 7.4838 7.5168 7.5420 7.6186 8.7634 0.0093 0.0161 0.5531 0.3631 1.6753 1.0748 0.2535 0.2731 0.1893 0.6395 0.5248 0.8197 0.6971 0.2605 3.0900 0.5047 3.2669 0.9199 1.3401 0.6853 1.0894 1.1642 0.4365 2.2172 0.7825 0.8856 7.3251 3.6069 1.2975 2.6648 0.1761 0.0864 0.0224 3.6906 0.2308 1.4367 0.9686 3.3545 3.0948 9.0934 3.2586 2.3810 2.8207 23.5190 10.9853 11.1172 6.8798 18.5046 5.8869 2.8231 3.6303 12.7264 3.3365 10.9824 1.8067 43.3661 5.4911 0.5746 6.9745 30.9627 45.5485 7.9371 23.8730 14.2950 60.2071 4.9558 5.1279 16.0912 34.9451 1.5573 0.2565 1.0645 28.5148 3.4411 163.2317 15.8329 3.6089 27.0319 29.7823 0.3158 5.4938 0.6796 0.0364 0.9827 1.7813 18.7954 1.8927 4.2131 13.3197 9.0330 0.1920 6.1156 17.5470 32.9268 41.9295 2.0550 2.8538 35.6213 13.2047 6.3858 27.3329 25.4825 5.5337 0.5325 10.4987 15.6603 23.1308 0.4135 1.0073 6.5227 17.1130 2.2222 1.4702 4.4482 3.6921 12.8048 3.0305 5.6239 15.8109 45.4722 5.4767 9.9271 27.4457 18.4494 6.8134 37.8775 3.9639 2.4723 9.4307 23.7321 69.0827 228.8328 14.2720 14.8823 195.9880 15.4584 3.1126 4.2121 28.2392 20.5313 1.0800 62.5648 10.7286 209.7852 72.6821 92.8346 0.2946 222.1731 3.7631 6.0418 1.0128 8.0984 36.5563 31.5525 2.3824 1.4460 3.3508 0.8796 3.0827 25.8479 5.4231 4.5732 1.5753 0.6564 4.5247 4.5175 4.8229 2.8596 14.2581 3.5720 5.2968 7.9784 0.7752 21.9808 1.7973 5.2391 20.4380 0.9432 1.8215 3.5840 4.6885 2.7253 2.8521 4.3840 9.4599 8.4383 0.2717 1.4243 2.1469 1.0557 1.1166 1.0620 1.8834 1.8475 3.9328 0.3300 4.5843 1.9693 1.5805 2.0255 2.3289 2.1070 0.7739 2.5747 2.7667 1.5831 1.2759 2.6099 0.1696 0.8675 6.3452 1.1225 6.6499 5.2207 0.5922 2.3674 0.8315 1.3976 1.0907 0.2283 0.6824 2.0499 1.0893 4.2647 1.9665 3.8937 4.5615 4.1139 1.3053 2.9064 3.1937 3.6603 3.2378 19.3810 3.7168 1.3530 2.1396 1.7401 1.1418 1.7227 4.8774 1.5421 4.8219 0.8570 3.0922 1.8598 2.6398 1.7913 2.9574 2.3844 1.0614 13.7255 4.9027 1.2794 6.5042 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1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 13338.7359 29159.2339 34764.4917 0.99988 0.01557 -0.00136 -0.01554 0.99965 0.02120 0.00169 -0.02118 0.99977 1 0.00649 0.00297 0.00249 0.13530 0.06189 0.05191 15.82 30.42 32.79 41.94 56.29 70.22 76.68 90.22 93.73 117.05 129.57 139.07 210.87 222.50 239.41 264.81 285.02 314.49 321.56 353.89 379.86 387.68 415.44 435.07 452.49 458.73 507.34 530.48 552.80 586.21 608.86 650.79 651.84 658.81 665.70 678.64 711.02 730.86 742.99 746.48 787.89 795.84 811.75 837.55 873.93 916.97 954.31 960.99 975.42 985.40 1003.43 1026.15 1079.69 1099.32 1103.32 1118.57 1127.36 1160.27 1166.40 1214.72 1230.10 1245.70 1273.44 1296.82 1302.55 1308.95 1310.10 1341.50 1356.77 1363.26 1372.31 1373.78 1391.63 1425.34 1461.40 1487.42 1493.14 1516.41 1538.63 1567.97 1570.16 1574.55 1595.63 1596.60 1600.11 1604.49 1626.82 1638.38 1640.97 1644.08 1649.18 1661.03 1664.64 1671.62 1697.01 1713.45 1718.61 1737.45 1738.59 1754.98 1773.49 1788.91 1812.14 1818.83 1828.78 1862.59 1876.59 1878.08 1887.00 1890.56 1899.61 1915.17 1932.87 1941.35 1982.89 2004.69 2021.03 2042.92 2053.71 2070.69 2084.95 2099.20 2145.66 2160.98 2165.71 2172.93 2178.44 2213.07 2232.38 2243.85 2251.41 2276.58 2294.67 2316.32 2322.06 2337.95 2345.81 2360.40 2373.82 2383.06 2385.07 2397.11 2405.13 2475.45 2518.78 2537.17 2547.91 2559.13 2569.33 2586.35 2596.51 2598.57 4531.37 4591.81 4739.63 4755.65 4782.24 4807.96 4809.91 4815.97 4845.21 4854.26 4854.67 4856.80 4857.19 4865.87 4869.99 4875.88 4883.63 4892.28 4895.62 4898.57 4898.87 4912.70 4913.30 4942.84 5346.18 0.522729 0.550491 0.551436 0.459977 -2646.291054 -2646.263291 -2646.262347 -2646.353805 3.067516D-04 MUNgauss RevisionA2.0 retrievium 26-Jul-2020 DUDE c1ccc(cc1)[C@@H](c2ccccc2Cl)[NH+]3CCN(CC3)c4c5c(csc5ncn4)c6ccc(cc6)Cl C01744791 RHF 6-31G(d) (6D,10F) C1 531.117699 |X|Y|Z| 115.060768 71.437596 47.774777 73.229194 34 6 7 16 29 4 1 |36.858105| |13.773654|36.858105| |7.942103|13.737434|36.858105| |6.840041|7.901729|13.717775|36.858105| |7.932524|6.876243|7.947998|13.677840|36.858105| |13.727811|7.946800|6.887154|7.910051|13.777183|36.858105| |4.424427|5.026795|7.612766|12.523252|7.457257|4.987316|36.858105| |4.027648|4.869276|7.540077|8.992489|5.592753|4.208611|17.698046|0.500000| |3.715113|3.974198|5.260419|7.466829|6.073975|4.293060|12.497102|0.248261|36.858105| |3.368901|3.383209|4.126175|5.707877|5.638486|4.080685|7.457304|0.156111|13.661297|36.858105| |2.848143|2.830569|3.295962|4.169653|4.228243|3.357070|4.973305|0.116542|7.854575|13.792980|36.858105| |2.641733|2.685074|3.112932|3.728355|3.617225|2.987344|4.403380|0.110587|6.797682|7.964233|13.754278|36.858105| |2.794932|2.947823|3.514628|4.102428|3.719956|3.064002|4.990216|0.132175|7.863956|6.916434|7.963461|13.795652|36.858105| |3.280975|3.587018|4.578612|5.538693|4.576307|3.584578|7.518565|0.201312|13.684470|8.004226|6.896942|7.947756|13.743921|36.858105| |3.206048|3.741030|4.826130|5.001786|3.898574|3.254928|6.179820|0.207114|6.951689|4.750062|4.229875|4.793356|7.117603|10.930019|448.794386| |3.745836|4.055647|5.426173|7.542718|5.945721|4.267654|12.442891|0.256586|7.581186|6.375724|4.410180|3.737870|3.931864|5.147963|35.056016|53.358707| |3.713644|3.801220|4.788443|6.848356|6.345435|4.462619|9.181881|0.182947|7.113087|7.146491|4.788018|3.823915|3.811533|4.734380|30.642586|25.741269|0.500000| |2.915676|3.162239|4.022322|4.931292|4.113255|3.210030|7.562445|0.201315|6.372628|5.591066|4.238704|3.715139|3.911732|4.907213|34.003174|17.221441|0.258110|36.858105| |2.547430|2.692469|3.235912|3.803137|3.414268|2.796629|4.934836|0.130942|4.361936|4.255083|3.469102|3.028346|3.060236|3.565912|25.455408|10.431217|0.199036|12.549429|36.858105| |2.594535|2.764764|3.270746|3.679011|3.294032|2.783488|4.417029|0.120774|3.652996|3.469311|2.863318|2.549931|2.614226|3.055375|22.984775|9.002670|0.166679|7.811493|13.104861|53.358707| |3.089350|3.256491|3.839717|4.387428|3.988274|3.353234|4.919116|0.128305|3.815223|3.621960|2.908890|2.550319|2.608711|3.090651|23.113053|10.437233|0.200758|6.659059|7.976418|17.882736|36.858105| |3.857917|4.256464|5.476471|6.515421|5.281269|4.173400|7.502021|0.192520|4.919746|4.309462|3.295486|2.902915|3.061057|3.826195|28.874409|17.220179|0.260138|7.770358|6.676904|10.689520|12.533333|36.858105| |2.223939|2.334821|2.660824|2.913014|2.698902|2.364027|3.332988|0.091572|2.902606|2.833102|2.437914|2.196027|2.223359|2.514093|19.104903|6.090541|0.119670|5.129180|7.915896|18.405698|7.878945|5.130590|36.858105| |1.953455|2.064391|2.337362|2.509250|2.312191|2.049554|2.880613|0.081169|2.587939|2.511806|2.221948|2.046484|2.083141|2.318944|17.945434|4.943757|0.095827|4.347886|6.127818|10.547740|5.135634|3.947655|13.554430|36.858105| |1.862011|1.994809|2.275801|2.412262|2.183124|1.933544|2.817580|0.081730|2.571014|2.447427|2.192949|2.065260|2.134140|2.368865|18.734098|4.642518|0.087631|4.262768|5.438110|8.158389|4.178705|3.565808|7.200857|13.025420|36.858105| |1.646601|1.751055|1.963855|2.062994|1.894425|1.702885|2.359667|0.068114|2.201738|2.121216|1.943404|1.848583|1.898252|2.064725|16.392649|3.755723|0.072277|3.321649|4.032273|5.822590|3.273292|2.854155|5.157854|8.248589|14.195921|36.858105| |1.542714|1.615776|1.780715|1.873966|1.759550|1.601473|2.090494|0.059125|1.956816|1.923911|1.773358|1.670357|1.689297|1.819557|14.259596|3.331144|0.065836|2.818702|3.469795|5.127435|3.031017|2.566095|4.887419|7.316113|7.310943|10.964282|388.023441| |1.748757|1.824681|2.021915|2.153968|2.028058|1.831350|2.405092|0.067132|2.203428|2.175115|1.962898|1.813906|1.827173|1.996742|15.438266|3.989685|0.079403|3.350625|4.421758|7.071011|4.013095|3.162265|8.122153|13.645388|8.049476|7.752126|78.187034|36.858105| |1.727206|1.778221|1.942470|2.072208|1.988904|1.815902|2.261906|0.062178|2.072299|2.073332|1.874213|1.718029|1.714636|1.865133|14.308526|3.740188|0.076130|3.006563|3.894635|6.265932|3.878839|3.001767|6.970104|7.888641|5.234936|5.066301|50.407704|14.393683|53.358707| |1.909087|1.951288|2.129913|2.293285|2.221015|2.023523|2.479076|0.067162|2.235042|2.247113|2.000451|1.808726|1.799258|1.974676|15.006228|4.198469|0.086719|3.268091|4.304384|7.314504|4.769077|3.465377|8.390594|7.124491|4.632455|4.142499|35.166561|8.611373|19.889403|36.858105| |2.186320|2.247497|2.496969|2.729868|2.615986|2.336935|2.992174|0.080420|2.627323|2.622473|2.275544|2.033398|2.031694|2.270102|17.122893|5.330357|0.109786|4.122562|5.759788|11.176355|7.131137|4.563647|14.545907|8.054757|5.031573|4.113384|30.933184|7.186557|11.026308|14.312190|53.358707| |1.988337|2.172992|2.532824|2.663525|2.338548|2.048531|3.205336|0.096588|2.900339|2.664765|2.368813|2.267048|2.402367|2.715219|22.057434|5.165927|0.093447|4.967157|5.640749|7.954240|4.176116|3.874728|5.669798|7.200213|12.783780|7.696531|33.616942|5.012123|5.174016|3.612850|5.579714|36.858105| |1.898825|2.070670|2.419290|2.562374|2.252257|1.964512|3.138080|0.094939|2.977363|2.736546|2.487188|2.427841|2.587644|2.874271|23.323525|4.849047|0.088458|4.795833|5.027046|6.242715|3.492020|3.399693|4.308280|5.107196|7.603586|6.076554|28.279806|3.965132|4.288335|2.997254|4.534731|13.708451|36.858105| |1.947869|2.155507|2.542237|2.651856|2.287291|1.994649|3.275379|0.102764|3.144351|2.794776|2.556860|2.570144|2.830628|3.165451|26.933745|4.765822|0.085410|4.575440|4.263652|5.282149|3.162895|3.273366|3.488472|3.844655|5.032446|4.291252|22.089970|3.115994|3.536485|2.527113|3.830886|7.875151|13.725936|36.858105| |2.108937|2.389030|2.849841|2.882209|2.421399|2.120644|3.527340|0.116066|3.237998|2.776101|2.493149|2.515185|2.838542|3.279684|29.737993|4.979182|0.086759|4.521002|4.010739|5.268034|3.280105|3.538510|3.381038|3.587309|4.459941|3.749416|20.081262|2.906058|3.362865|2.447276|3.752252|6.846874|7.971967|13.791790|36.858105| |2.234489|2.552673|3.044165|3.029090|2.528754|2.227179|3.623537|0.119267|3.138513|2.698485|2.371706|2.336498|2.599296|3.050191|27.292742|5.317064|0.091294|4.653486|4.287552|6.160247|3.818479|4.079798|3.917700|4.114256|5.039947|4.040352|21.692844|3.241316|3.732264|2.742289|4.270558|7.884179|6.882466|7.919781|13.734998|36.858105| |2.160932|2.414318|2.838921|2.898131|2.482053|2.185446|3.442025|0.107541|2.975415|2.648644|2.318364|2.230722|2.410350|2.790404|23.579237|5.434984|0.095081|4.890642|5.068201|7.850407|4.437879|4.328561|5.197591|5.781130|7.604465|5.410251|27.420476|4.225671|4.644838|3.371554|5.312146|13.670610|7.966844|6.874367|7.965107|13.779627|36.858105| |2.091249|2.398972|2.838484|2.784231|2.329188|2.068058|3.309337|0.110730|3.127065|2.631388|2.413576|2.524538|2.948562|3.372912|33.557831|4.313189|0.076199|3.632976|3.116257|4.071852|2.704596|3.019833|2.632686|2.713353|3.169933|2.809173|16.002412|2.299296|2.752456|2.020365|3.057560|4.213978|4.770669|7.042207|10.958440|7.040414|4.773796|448.794386| |17.732176|8.920579|5.646983|4.936021|5.646027|8.909376|3.540951|0.091535|3.087858|2.867275|2.500062|2.343030|2.455650|2.800128|22.196699|4.232380|0.086265|2.511087|2.245447|3.132123|2.705261|3.236088|2.015249|1.786287|1.702715|1.521450|10.221907|1.618964|2.190162|1.772201|2.724094|1.802900|1.722402|1.762663|1.901311|2.012065|1.952353|15.209651|0.500000| |8.915939|17.732956|8.926178|5.635406|4.954980|5.647064|4.108919|0.115957|3.360438|2.883557|2.479457|2.398028|2.647170|3.155332|27.581872|4.675135|0.088823|2.804177|2.428534|3.432013|2.911040|3.672523|2.167414|1.944010|1.893881|1.676071|11.000986|1.730041|2.292475|1.833221|2.839969|2.065822|1.967031|2.059698|2.305216|2.472342|2.315684|18.883355|0.214710|0.500000| |5.655695|8.940457|17.711879|8.899024|5.643646|4.959018|7.093236|0.234752|4.961442|3.784774|3.087286|2.998054|3.482300|4.590626|43.333979|7.029740|0.120955|4.087424|3.247990|4.499184|3.741616|5.294967|2.686229|2.399297|2.382374|2.049121|13.012600|2.058622|2.657206|2.116049|3.365202|2.713996|2.595453|2.784562|3.223072|3.466542|3.119661|26.316932|0.124347|0.216335|0.500000| |5.660610|4.955109|5.636490|8.847427|17.725818|8.990094|6.838704|0.139070|6.367715|6.852769|4.964072|3.967258|3.863606|4.582272|29.278700|8.173924|0.198448|4.243901|3.578356|4.540518|3.979056|4.964736|2.748567|2.345111|2.197700|1.911018|12.699971|2.065304|2.768566|2.277784|3.650589|2.326505|2.257787|2.266531|2.347131|2.422763|2.412879|17.906937|0.124580|0.107584|0.123708|0.500000| |8.906181|5.650125|4.960436|5.637274|8.941633|17.731007|4.067979|0.096493|3.712771|3.732164|3.184448|2.810205|2.799507|3.150744|22.651693|4.990673|0.109705|2.862391|2.566856|3.465047|3.034961|3.576693|2.208563|1.921452|1.802518|1.602333|10.840474|1.739653|2.370819|1.942722|3.017965|1.884186|1.811577|1.825263|1.916613|2.002542|1.984564|14.966390|0.214758|0.124124|0.107645|0.217762|0.500000| |3.440494|3.357374|4.009221|5.643981|6.061942|4.318373|6.863619|0.140891|8.853940|17.699512|9.036089|5.682721|4.973810|5.656812|31.283613|9.414037|0.252275|5.684161|4.606192|5.119769|4.053298|4.692169|3.062379|2.645111|2.507709|2.164837|14.178463|2.297106|3.019692|2.445808|3.930386|2.665182|2.674158|2.655749|2.629496|2.617327|2.637138|19.551131|0.081437|0.078928|0.099980|0.227144|0.111969|0.500000| |2.616038|2.546739|2.881899|3.572903|3.773755|3.100480|4.067151|0.096598|5.616163|8.943119|17.737830|8.902053|5.654679|4.966087|27.418326|5.225170|0.119158|3.718480|3.228620|3.653828|2.727722|2.983387|2.336811|2.132030|2.082558|1.864749|12.283154|1.910846|2.508259|1.968052|3.016086|2.203818|2.302254|2.325468|2.244295|2.150329|2.134160|17.290767|0.064827|0.062442|0.074670|0.125537|0.084206|0.219131|0.500000| |2.344665|2.363497|2.669595|3.099348|3.059397|2.619712|3.527776|0.090647|4.914477|5.654634|8.901091|17.739143|8.947319|5.654915|31.825610|4.223661|0.088473|3.126634|2.651410|3.077752|2.247841|2.501328|1.988351|1.874352|1.897090|1.721913|11.142512|1.682880|2.176537|1.671834|2.524615|2.062580|2.220050|2.343738|2.273465|2.104156|2.015652|18.458277|0.058792|0.059495|0.071791|0.092604|0.069686|0.124846|0.213890|0.500000| |2.544609|2.704790|3.154675|3.500555|3.174549|2.715376|4.087420|0.113375|5.627770|4.977749|5.652940|8.911881|17.756774|8.954188|55.111982|4.502828|0.088211|3.343308|2.691989|3.190788|2.322066|2.689286|2.026244|1.926418|1.995870|1.795949|11.347886|1.702812|2.171102|1.659559|2.523180|2.253833|2.450431|2.726138|2.744060|2.477052|2.267557|23.732039|0.063085|0.068980|0.088636|0.089672|0.069359|0.107930|0.124095|0.214967|0.500000| |2.833773|3.173861|4.086240|4.682106|3.746221|3.009812|7.009245|0.222631|5.700585|4.658053|3.707570|3.438424|3.790808|4.832645|37.027929|12.410524|0.181766|17.650162|8.850515|9.591965|5.858644|7.107932|4.826714|4.329737|4.527886|3.480564|20.231731|3.296560|3.941798|3.078293|5.173171|5.826972|5.634477|5.679163|5.954125|6.177085|6.125519|36.254654|0.068090|0.079719|0.121844|0.102985|0.073890|0.125369|0.089856|0.081322|0.092705|0.500000| |2.762586|2.950530|3.696522|4.589722|3.954702|3.079836|7.050458|0.180940|7.410532|6.839552|5.209098|4.498611|4.646529|5.706026|36.077036|12.311901|0.222617|17.683732|8.849168|7.677361|4.981188|5.637577|4.200783|3.739162|3.753655|3.049786|18.549801|3.003472|3.695479|2.901350|4.786081|4.318562|4.508620|4.430206|4.187476|4.025932|4.090596|28.244834|0.066461|0.072731|0.103245|0.117024|0.077274|0.181476|0.123643|0.102892|0.107124|0.300322|0.500000| |2.252695|2.387384|2.829109|3.229323|2.910239|2.438368|4.120206|0.113509|3.843371|3.755219|3.218534|2.890950|2.925865|3.316654|24.115774|7.622745|0.145483|9.024610|17.671249|12.405316|5.721571|4.986024|7.332430|6.843024|6.679811|4.809657|27.875585|4.816706|5.456926|4.164591|7.062062|6.902291|6.405705|4.973537|4.343606|4.471888|5.432100|26.094044|0.055830|0.060754|0.080171|0.084323|0.062693|0.108912|0.083804|0.071456|0.072735|0.216081|0.214867|0.500000| |2.514358|2.585294|3.042674|3.653296|3.451335|2.826370|4.559560|0.114926|4.232039|4.456576|3.656627|3.079354|2.997596|3.399522|23.410232|9.344612|0.209296|8.845101|17.433472|12.297459|7.137820|5.807323|6.853317|5.251720|4.476585|3.551009|23.038943|4.140350|5.231891|4.360045|7.827804|4.374637|4.053673|3.513658|3.288382|3.442019|3.946714|21.515730|0.061844|0.064323|0.082545|0.104294|0.073408|0.141785|0.097406|0.075302|0.072638|0.173313|0.214868|0.302592|0.500000| |2.991824|3.163060|3.600337|3.883841|3.568087|3.148227|4.096682|0.110365|3.227172|3.047654|2.517236|2.249004|2.312629|2.706723|20.870311|7.612102|0.146395|4.968968|5.727157|12.469437|17.644450|8.987027|7.314012|4.954581|3.985630|3.190454|21.489440|4.022337|5.431356|5.000984|9.942529|3.895961|3.194142|2.904740|3.064193|3.660356|4.288347|20.498244|0.074042|0.080243|0.098375|0.096508|0.079659|0.093038|0.066022|0.055752|0.058078|0.130893|0.109239|0.127516|0.144819|0.500000| |3.068706|3.107361|3.563654|4.199915|4.091837|3.447410|4.555009|0.113235|3.713211|3.722339|2.996978|2.564951|2.556350|2.968079|21.499905|9.361829|0.211591|5.798162|7.094661|12.239096|17.490192|8.836113|6.787445|4.546313|3.658039|2.974992|20.296622|3.773806|5.192226|4.848213|9.728544|3.545650|3.080021|2.794133|2.832307|3.174258|3.611003|19.225444|0.075114|0.076421|0.093385|0.118325|0.088884|0.121046|0.079708|0.063056|0.062813|0.134273|0.130198|0.143992|0.211469|0.303943|0.500000| |4.724305|5.116207|6.399785|7.587376|6.429411|5.149250|6.987137|0.170846|4.634133|4.130279|3.179216|2.793706|2.927425|3.622623|27.375373|12.323976|0.224643|5.639874|4.982444|7.703692|8.849597|17.692433|4.196307|3.316701|2.996831|2.481195|16.247948|2.776358|3.683122|3.139992|5.438436|3.192873|2.856223|2.789227|3.020393|3.425036|3.548527|21.587786|0.107431|0.118316|0.158087|0.158251|0.119203|0.126610|0.080600|0.067192|0.071667|0.144853|0.126520|0.109400|0.130042|0.214494|0.214580|0.500000| |3.668152|4.276863|5.627218|5.956545|4.556529|3.753794|6.947624|0.210496|4.585046|3.833540|3.024848|2.763412|2.999942|3.786931|30.627388|12.405090|0.182408|7.120191|5.899500|9.666946|8.816290|17.633612|4.839501|3.942094|3.723677|2.957465|18.413473|3.121669|3.941519|3.246235|5.642564|4.251969|3.667726|3.617625|4.115840|5.001229|5.127389|27.887345|0.086301|0.106048|0.166237|0.115392|0.088879|0.110109|0.075401|0.066519|0.074569|0.216053|0.144819|0.131950|0.134824|0.214201|0.172990|0.300309|0.500000| |1.554996|1.658941|1.855283|1.932932|1.770852|1.599056|2.205943|0.064238|2.082700|1.996445|1.850420|1.784396|1.842634|1.988189|15.979362|3.419709|0.065598|3.007646|3.473338|4.869338|2.840108|2.564502|4.053227|5.695717|8.857162|17.777983|55.367135|5.443934|5.426506|3.364063|4.558279|6.853193|6.148742|4.462284|3.816980|3.961538|4.996653|23.180225|0.040036|0.044368|0.054107|0.049465|0.041804|0.055930|0.049232|0.046452|0.048914|0.088884|0.078221|0.114103|0.085595|0.076939|0.072039|0.062584|0.074556|0.500000| |1.861381|1.879301|2.020285|2.168785|2.137255|1.975211|2.295075|0.061679|2.080544|2.110230|1.890728|1.706675|1.688028|1.840774|13.957422|3.815191|0.079992|2.878641|3.630586|5.937571|4.194283|3.144193|5.911616|5.084536|3.675087|3.388570|28.719748|5.974924|12.752541|17.745738|12.664555|3.007959|2.567704|2.218585|2.165097|2.404247|2.865130|14.678772|0.048393|0.049119|0.055249|0.061013|0.053239|0.064134|0.052075|0.044027|0.043319|0.075033|0.072054|0.096222|0.104827|0.124257|0.123295|0.081676|0.081123|0.079254|0.500000| |1.770216|1.903662|2.198039|2.351515|2.109257|1.846421|2.850680|0.083996|2.786148|2.637440|2.446507|2.383641|2.489132|2.693259|21.277899|4.401623|0.082746|4.301755|4.690159|5.617445|3.178812|3.035926|4.042929|4.885769|7.031060|6.290370|29.630857|3.984807|4.305463|2.952799|4.361253|8.914143|17.718247|8.943146|5.669147|4.957053|5.654759|31.628629|0.044830|0.050134|0.064514|0.059489|0.047769|0.071910|0.063780|0.061266|0.065583|0.130803|0.117452|0.172249|0.110302|0.080574|0.080315|0.072001|0.088140|0.181732|0.070498|0.500000| |1.843052|2.025409|2.368926|2.478382|2.161607|1.892066|3.039619|0.094133|3.039885|2.730634|2.565887|2.636153|2.909489|3.157078|26.775197|4.294074|0.078461|4.027754|3.706179|4.487220|2.767258|2.882213|2.999051|3.266341|4.099956|3.689212|19.790477|2.745645|3.175326|2.266265|3.389450|5.617616|8.890621|17.747156|8.929672|5.640568|4.955073|53.749630|0.046515|0.053821|0.071563|0.059869|0.048365|0.071076|0.064882|0.067577|0.079211|0.132119|0.114235|0.118993|0.088228|0.070575|0.069526|0.069625|0.086639|0.108550|0.055977|0.215356|0.500000| |2.337278|2.722017|3.230975|3.092432|2.554982|2.281919|3.568315|0.119385|3.022899|2.571257|2.255579|2.231336|2.501902|2.956252|27.355864|5.052494|0.086733|4.108941|3.723528|5.500080|3.639759|4.017540|3.505482|3.563331|4.104040|3.414069|19.285930|2.898494|3.432428|2.554023|3.961903|5.619071|4.959059|5.644215|8.916671|17.739623|8.906325|53.843874|0.058580|0.074458|0.104965|0.066776|0.056604|0.069252|0.056746|0.055864|0.066633|0.146391|0.099083|0.103673|0.085451|0.099694|0.084090|0.096399|0.141327|0.092958|0.063178|0.107632|0.124224|0.500000| |2.197222|2.450016|2.838631|2.861720|2.474282|2.206720|3.280193|0.100713|2.778082|2.497132|2.176183|2.074425|2.222129|2.569205|21.595845|5.244385|0.092848|4.412756|4.737200|8.168908|4.789635|4.483111|5.655397|6.095273|7.040212|5.146624|27.974750|4.498958|5.022025|3.696049|5.856291|8.904679|5.657838|4.954123|5.664753|8.959820|17.732435|31.649822|0.055393|0.065605|0.085987|0.066369|0.055739|0.070144|0.056076|0.052193|0.057957|0.145025|0.101367|0.133728|0.105228|0.136621|0.105914|0.103295|0.148688|0.127587|0.086892|0.124198|0.107585|0.215534|0.500000| 2644.944026 -14894.455928 5523.152605 -266.212760 -6992.572057 4345.758193 -2646.813865 2.000707 40DE60000000001C 4586C59F7F18AC0C 45050BAA82664821 42D1B7209A400000 33EBB83CDBBBAE5C 457945B5E006DE70