Version2.1 2021-01-18T17:55:50Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 12-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)n2c(=O)c3ccccc3nc2SCc4[nH]c(=O)c5c(c(sc5n4)C)C C34856117 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)n2c(=O)c3ccccc3nc2SCc4[nH]c(=O)c5c(c(sc5n4)C)C C01[X(C24H36N4O2S2)] 198 C1 560 Cc1ccc(cc1)n1c(SCc2[nH]c(=O)c3c(n2)sc(c3C)C)nc2c(c1=O)cccc2 Cc1ccc(cc1)n1c(SCc2[nH]c(=O)c3c(n2)sc(c3C)C)nc2c(c1=O)cccc2 CC1CCC(CC1)N2C(NC3CCCCC3C2=O)SCC4NC(=O)c5c(C)c(C)sc5N4 InChIKey=KTOLSDLOAVSWJF-UHFFFAOYSA-N InChI=1S/C24H36N4O2S2/c1-13-8-10-16(11-9-13)28-23(30)17-6-4-5-7-18(17)25-24(28)31-12-19-26-21(29)20-14(2)15(3)32-22(20)27-19/h13,16-19,24-25,27H,4-12H2,1-3H3,(H,26,29) InChI=1/C24H36N4O2S2/c1-13-8-10-16(11-9-13)28-23(30)17-6-4-5-7-18(17)25-24(28)31-12-19-26-21(29)20-14(2)15(3)32-22(20)27-19/h13,16-19,24-25,27H,4-12H2,1-3H3,(H,26,29)/f/h26H Cc1ccc(cc1)n2c(=O)c3ccccc3nc2SCc4[nH]c(=O)c5c(c(sc5n4)C)C C01[X(C24H36N4O2S2)] 198 C01 560 Cc1ccc(cc1)n1c(SCc2[nH]c(=O)c3c(n2)sc(c3C)C)nc2c(c1=O)cccc2 C[C@@H]1CC[C@H](CC1)N1[C@H](SC[C@H]2NC(=O)[C]3[C](SC(=[C]3C)C)N2)N[C@H]2[C@H](C1=O)CCCC2 C[C@@H]1CC[C@H](CC1)N2[C@@H](N[C@@H]3CCCC[C@H]3C2=O)SC[C@@H]4N[C]5SC(=C(C)[C]5C(=O)N4)C InChIKey=KTOLSDLOAVSWJF-ZQWNJKPASA-N InChI=1S/C24H36N4O2S2/c1-13-8-10-16(11-9-13)28-23(30)17-6-4-5-7-18(17)25-24(28)31-12-19-26-21(29)20-14(2)15(3)32-22(20)27-19/h13,16-19,24-25,27H,4-12H2,1-3H3,(H,26,29)/t13-,16-,17-,18-,19+,24-/m1/s1 InChI=1/C24H36N4O2S2/c1-13-8-10-16(11-9-13)28-23(30)17-6-4-5-7-18(17)25-24(28)31-12-19-26-21(29)20-14(2)15(3)32-22(20)27-19/h13,16-19,24-25,27H,4-12H2,1-3H3,(H,26,29)/t13-,16-,17-,18-,19+,24-/m1/s1/f/h26H 3889.3256598014 -2092.3808704 1-A 18091.8708 128 432 560 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 10.8467 20.7809 25.0958 35.9983 39.6342 47.1980 57.3465 65.2068 68.6200 93.0743 102.9331 118.8536 148.1511 153.3098 157.5734 168.2838 174.2093 187.3192 204.4522 230.4576 233.6667 236.4186 247.6570 251.5681 260.2264 276.0797 313.9291 332.4251 332.9469 344.2751 348.9030 364.6425 372.8999 383.5494 395.7663 436.1833 445.9519 449.3792 454.7165 483.0010 490.7939 498.1711 510.4984 519.8883 523.7079 529.7442 532.2431 562.5898 567.5558 615.7754 623.7465 634.8044 638.1877 655.1917 692.4538 695.9302 739.8361 745.8142 754.7618 800.7927 828.1134 840.2211 863.9140 865.7517 865.7961 882.6591 908.0264 920.6541 927.2826 953.7111 964.0603 970.8929 977.3245 988.6284 996.5935 1014.3692 1021.8875 1028.4544 1037.9885 1051.7120 1067.1213 1069.2432 1100.5313 1101.8037 1138.2015 1146.5374 1151.6634 1153.0195 1165.3341 1168.2151 1176.3624 1177.9211 1188.0022 1202.4369 1203.2350 1204.2078 1207.4616 1214.0738 1242.4333 1257.9607 1274.0954 1276.6296 1289.6918 1295.6737 1324.2000 1334.8811 1349.1633 1349.8929 1362.7732 1371.5880 1382.8285 1393.0416 1401.4479 1414.4807 1427.2277 1430.0604 1438.9500 1458.6926 1461.5325 1463.1123 1466.9785 1467.1996 1479.7187 1501.3435 1503.4105 1507.3062 1519.1994 1523.4905 1523.9474 1528.5272 1530.4400 1543.2343 1552.5778 1561.2443 1563.9441 1564.8009 1565.0397 1572.9267 1582.8877 1614.4508 1624.9111 1625.0874 1625.7876 1629.5065 1630.9182 1630.9836 1633.5950 1635.8449 1639.9552 1641.2545 1642.8664 1644.9893 1645.2450 1645.6778 1649.0575 1649.5581 1655.7119 1661.1674 1726.2611 1800.0948 1922.5028 1957.2179 3104.3998 3155.1551 3166.3726 3174.9304 3186.5684 3189.3695 3190.1464 3193.3862 3193.9223 3197.9404 3197.9988 3206.2060 3208.2170 3221.6740 3229.7600 3230.1794 3234.1781 3239.0531 3240.5482 3242.7357 3244.7721 3252.8058 3253.1420 3257.3276 3258.1380 3260.6493 3291.1287 3294.9483 3294.9914 3302.8636 3304.1395 3317.0357 3320.8274 3783.6136 3792.6734 3850.0172 5.2048 4.4463 6.2848 4.7539 4.3965 3.6746 3.4143 1.0488 3.9793 5.9777 4.7241 3.7168 4.4296 3.3903 1.1189 3.5392 4.0144 4.4654 5.9095 2.7683 1.6139 4.1095 3.8970 1.9519 1.8873 2.4787 2.5046 2.1570 2.6598 4.0668 3.7606 3.6198 2.3998 3.1469 5.3300 4.2265 3.6337 4.9452 1.8716 4.6720 3.4097 4.1414 3.2881 3.1107 2.8621 2.5884 2.9179 2.3901 3.3605 4.2060 3.2403 4.8280 3.5022 2.8148 4.2676 4.4768 2.8791 4.0095 3.5443 2.9783 2.7204 3.8710 1.6340 2.0190 4.5519 2.6003 5.5990 2.0648 2.1180 2.5497 3.4619 1.7379 1.6443 2.0121 1.7778 1.3748 2.3539 1.9110 2.4506 1.9761 1.6079 4.1099 2.2464 1.6627 1.8688 2.0925 1.6121 1.3823 1.5520 1.2896 2.3385 1.5015 2.0665 2.1330 2.6967 2.3180 2.2006 2.2132 2.2201 2.5749 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269.51 294.16 331.58 336.19 340.15 356.32 361.95 374.41 397.22 451.67 478.29 479.04 495.34 501.99 524.64 536.52 551.84 569.42 627.57 641.63 646.56 654.24 694.93 706.14 716.76 734.49 748.00 753.50 762.18 765.78 809.44 816.59 885.96 897.43 913.34 918.21 942.67 996.29 1001.29 1064.46 1073.06 1085.93 1152.16 1191.47 1208.89 1242.98 1245.62 1245.69 1269.95 1306.45 1324.62 1334.15 1372.18 1387.07 1396.90 1406.15 1422.42 1433.88 1459.45 1470.27 1479.72 1493.43 1513.18 1535.35 1538.40 1583.42 1585.25 1637.62 1649.61 1656.99 1658.94 1676.66 1680.80 1692.52 1694.77 1709.27 1730.04 1731.19 1732.59 1737.27 1746.78 1787.58 1809.92 1833.14 1836.79 1855.58 1864.19 1905.23 1920.60 1941.15 1942.19 1960.73 1973.41 1989.58 2004.28 2016.37 2035.12 2053.46 2057.54 2070.33 2098.73 2102.82 2105.09 2110.65 2110.97 2128.99 2160.10 2163.07 2168.68 2185.79 2191.96 2192.62 2199.21 2201.96 2220.37 2233.81 2246.28 2250.17 2251.40 2251.74 2263.09 2277.42 2322.83 2337.88 2338.14 2339.15 2344.50 2346.53 2346.62 2350.38 2353.62 2359.53 2361.40 2363.72 2366.77 2367.14 2367.76 2372.63 2373.35 2382.20 2390.05 2483.70 2589.93 2766.05 2816.00 4466.54 4539.56 4555.70 4568.02 4584.76 4588.79 4589.91 4594.57 4595.34 4601.12 4601.21 4613.02 4615.91 4635.27 4646.90 4647.51 4653.26 4660.27 4662.43 4665.57 4668.50 4680.06 4680.55 4686.57 4687.73 4691.35 4735.20 4740.70 4740.76 4752.08 4753.92 4772.47 4777.93 5443.78 5456.81 5539.32 0.630648 0.660356 0.661300 0.567332 -2091.750222 -2091.720514 -2091.719570 -2091.813538 3.151702D-04 MUNgauss RevisionA2.0 retrievium 18-Jan-2021 DUDE Cc1ccc(cc1)n2c(=O)c3ccccc3nc2SCc4[nH]c(=O)c5c(c(sc5n4)C)C C34856117 RHF 6-31G(d) (6D,10F) C1 476.227970 |X|Y|Z| 106.902029 73.379428 35.766749 65.465614 27 6 7 16 21 4 2 |36.858105| |12.460080|36.858105| |7.520720|12.418735|36.858105| |4.881891|7.483651|12.434415|36.858105| |4.350554|6.424792|7.570448|12.441549|36.858105| |4.883523|7.487042|6.451905|7.516434|12.423063|36.858105| |7.523427|12.416846|7.574756|6.449225|7.565915|12.431939|36.858105| |3.264019|4.349883|4.939072|7.546790|12.859448|7.585930|4.949784|53.358707| |2.955270|3.870378|4.177715|6.058509|7.737974|6.263307|4.241803|18.953412|36.858105| |3.155615|4.213423|4.411757|6.312294|6.909935|6.288520|4.402090|11.533401|15.840414|73.516695| |2.399881|2.968062|3.146575|4.132761|4.964578|4.378109|3.249706|10.470738|12.532083|14.317510|36.858105| |2.216397|2.687060|2.731895|3.395317|3.896870|3.798883|2.927124|6.946583|7.525330|12.111393|12.446803|36.858105| |1.887717|2.219081|2.264214|2.718716|3.056767|2.965334|2.399419|5.247211|4.914640|7.901640|7.587382|12.432874|36.858105| |1.816082|2.113950|2.157252|2.555502|2.957344|2.864649|2.332066|5.089283|4.366861|6.672172|6.487919|7.497663|12.428235|36.858105| |1.917655|2.248948|2.350840|2.837013|3.360669|3.099508|2.492620|6.100813|4.942748|7.001123|7.590936|6.414006|7.513536|12.432611|36.858105| |2.264544|2.739552|2.884543|3.627976|4.589621|4.097654|3.102483|9.401744|7.625691|9.448412|12.522516|7.536691|6.470178|7.575021|12.491312|36.858105| |2.352755|2.843500|3.121854|3.982958|5.092194|4.123480|3.187895|10.819129|6.863927|8.517063|8.053089|5.078015|4.485258|5.011106|7.750240|13.162849|53.358707| |2.820266|3.518276|3.968265|5.270835|7.690423|5.455641|4.045350|17.816923|7.628680|9.423559|6.557137|4.411852|3.669131|3.858571|5.064551|7.862420|18.052076|36.858105| |2.726534|3.263309|3.933523|4.923075|5.876625|4.159161|3.513328|9.359925|4.852677|6.945006|4.309228|3.213586|2.833537|2.950427|3.731363|4.742908|9.726896|10.367739|388.023441| |2.439318|2.897159|3.540712|4.560856|4.717361|3.454295|2.946278|7.878796|4.789036|7.035364|4.458369|3.300836|2.953632|2.962073|3.713488|4.463952|8.524680|6.784275|74.511941|36.858105| |2.317190|2.662257|3.301123|3.961276|3.778222|2.898453|2.611652|5.636556|3.590050|5.667528|3.333990|2.655170|2.425294|2.411201|2.885860|3.285153|5.681726|4.505991|47.774343|12.406815|36.858105| |2.618431|2.989334|3.897787|4.515824|3.968547|3.022582|2.820005|5.423981|3.417521|5.615098|3.015856|2.462800|2.208023|2.164487|2.514105|2.901549|4.810880|4.048717|40.938999|7.599048|13.145181|53.358707| |2.787371|3.227428|4.327785|5.132940|4.183674|3.167978|2.954125|5.617995|3.625669|6.125015|3.117277|2.561775|2.262504|2.174363|2.487430|2.893532|4.661886|3.934411|36.111655|6.679403|9.053617|26.001301|0.500000| |2.790190|3.098172|4.062462|4.325712|3.861355|3.005442|2.918820|4.963135|3.055595|5.058417|2.677599|2.226487|2.000076|1.985835|2.288790|2.640182|4.341738|3.762814|38.674616|5.632339|7.630415|18.930548|0.265610|36.858105| |3.156765|3.426272|4.637943|4.540177|3.844366|3.063165|3.099823|4.667380|2.904279|4.946925|2.496978|2.117494|1.886689|1.857124|2.100538|2.428423|3.871279|3.386056|31.753130|4.411752|5.331149|11.557597|0.220231|15.863535|73.516695| |2.453967|2.673946|3.300050|3.479557|3.359893|2.705300|2.622621|4.450092|2.741480|4.458144|2.488631|2.079577|1.906173|1.935428|2.253512|2.550160|4.252461|3.596318|38.605046|5.166975|6.746417|10.883701|0.161738|12.914113|14.260877|36.858105| |2.379029|2.508669|2.990440|3.002601|2.957616|2.487873|2.484545|3.827862|2.380539|3.911653|2.175491|1.857338|1.714565|1.755350|2.017815|2.257777|3.674788|3.089426|30.610941|3.819246|4.472777|6.860553|0.115233|7.243886|11.089849|13.089567|36.858105| |2.069313|2.176550|2.514876|2.561472|2.588395|2.223159|2.195040|3.448490|2.177984|3.557099|2.042786|1.756535|1.648295|1.708816|1.969369|2.157897|3.503126|2.846663|27.486458|3.461884|3.963184|5.547319|0.094688|5.094557|7.796207|8.213517|14.156196|36.858105| |1.901766|2.044042|2.358680|2.505426|2.559423|2.171415|2.076022|3.573306|2.281009|3.668728|2.196098|1.867720|1.776686|1.856093|2.176595|2.345156|3.883365|3.030873|30.004352|4.034643|4.738831|5.895809|0.098119|4.813492|6.879236|7.457058|7.379717|10.834536|388.023441| |2.158380|2.370908|2.845903|3.106840|3.089046|2.507375|2.367343|4.322201|2.709964|4.337118|2.547788|2.116086|1.974281|2.026315|2.395576|2.654981|4.504563|3.623760|39.418345|5.746163|7.920733|9.679116|0.143980|7.834170|9.549269|14.138289|8.133721|7.660089|78.563224|36.858105| |2.077871|2.323912|2.787973|3.175796|3.144859|2.521523|2.316939|4.618555|2.958021|4.683531|2.838557|2.321216|2.177940|2.220761|2.659561|2.923754|5.027406|3.869868|41.256466|7.678020|13.110552|10.817250|0.160341|6.616866|8.305950|7.819515|5.173864|4.940945|49.559383|13.699062|53.358707| |1.884987|1.945045|2.183562|2.186135|2.227652|1.975250|1.975211|2.956510|1.897158|3.124547|1.796537|1.573000|1.488972|1.551513|1.765112|1.907035|3.023066|2.419413|21.870512|2.750498|3.026726|4.204981|0.074907|3.687099|6.020443|5.018700|7.361061|12.673382|48.491072|4.833204|4.918274|36.858105| |2.624348|2.675043|3.170668|3.001871|2.901307|2.504221|2.603710|3.598447|2.250125|3.770820|2.023278|1.754417|1.606791|1.632384|1.844120|2.074102|3.287742|2.801277|25.860343|3.191978|3.582306|5.746557|0.103513|6.021167|11.325453|7.344238|12.646339|7.493530|33.398547|5.072285|5.173456|5.938258|36.858105| |17.540996|8.771829|6.858711|4.524119|3.809939|4.046466|5.471669|4.037775|2.737351|5.250148|2.247577|2.086365|1.789902|1.709184|1.798713|2.099195|2.970604|2.572621|18.040558|2.340554|2.269137|3.538813|0.077857|2.761619|5.651538|2.394836|2.313217|2.005619|13.110769|2.101037|2.761514|1.826079|2.564265|0.500000| |17.534084|8.765199|5.468803|4.044079|3.808968|4.524616|6.859164|4.039512|2.749344|5.245558|2.272747|2.143105|1.834062|1.765773|1.840630|2.153672|2.991420|2.586821|17.410870|2.196416|2.073904|3.124544|0.067369|2.420045|4.766111|2.173247|2.122985|1.879545|12.366748|1.943003|2.557890|1.734597|2.321338|0.301517|0.500000| |17.525275|8.776253|6.796793|4.512608|4.174552|4.511675|6.793849|4.289993|2.782094|5.123218|2.292357|2.094014|1.805169|1.761159|1.878655|2.210301|3.177545|2.818617|19.936455|2.449950|2.348315|3.630302|0.077460|2.926931|5.951788|2.610074|2.586217|2.232214|14.287129|2.262407|2.908279|2.042507|2.927817|0.301665|0.301386|0.500000| |6.893894|8.816380|17.534582|8.854178|5.513420|4.839199|5.506105|5.561974|3.646903|6.995713|2.839581|2.509944|2.108658|1.990554|2.148667|2.574586|3.764337|3.371459|24.441171|3.276981|3.184173|5.258284|0.122935|3.996095|8.415635|3.169998|2.867119|2.405897|16.034708|2.726567|3.652252|2.094500|3.067799|0.206357|0.140864|0.168754|0.500000| |4.494371|6.719056|8.824134|17.615269|8.853997|6.765342|5.647586|9.253873|6.519991|14.026800|4.343359|3.682437|2.878763|2.619186|2.836086|3.588650|5.101649|4.625147|29.306943|4.103997|3.582612|5.403823|0.127877|3.668044|6.778885|3.000599|2.605277|2.267591|16.011212|2.751781|3.914851|1.960347|2.592494|0.119421|0.107272|0.110564|0.214865|0.500000| |4.504499|6.739703|5.658213|6.766258|8.833185|17.605265|8.842325|9.269937|6.771377|13.904575|4.637168|4.241186|3.190105|2.972148|3.109151|4.061508|5.259300|4.746175|25.718177|3.208054|2.708814|3.817550|0.082941|2.725239|4.933119|2.439469|2.232152|2.011546|14.137380|2.290575|3.188188|1.796418|2.237121|0.107530|0.119656|0.110712|0.126638|0.198464|0.500000| |6.941357|8.852082|6.824865|5.664188|6.814010|8.824742|17.476876|6.276245|3.789372|6.668679|3.007999|2.671545|2.243598|2.227670|2.417964|2.982041|4.295960|4.064182|26.241017|2.963660|2.651167|3.908887|0.081793|3.065453|5.804466|2.808921|2.717663|2.389183|15.755769|2.502292|3.260422|2.156704|2.891581|0.141053|0.171967|0.205719|0.139882|0.130983|0.173539|0.500000| |2.306190|2.799853|2.755960|3.350233|3.960710|4.130535|3.139551|6.742321|6.879938|11.548225|8.845297|17.514341|8.823940|6.720181|5.621731|6.789936|6.325732|4.255605|21.756018|2.996421|2.442787|3.137542|0.066386|2.127693|3.637266|1.996636|1.808032|1.709146|12.748117|2.009893|2.943886|1.542492|1.726440|0.059606|0.062719|0.060327|0.069542|0.100143|0.130870|0.078852|0.500000| |1.789848|2.079475|2.088587|2.452609|2.716645|2.710718|2.239572|4.458205|4.072019|6.918721|5.514759|8.827059|17.540754|8.822874|5.484942|4.856451|4.909422|3.090444|17.470408|2.537628|2.140079|2.692063|0.056448|1.809537|3.064217|1.725904|1.568286|1.510098|11.477709|1.776699|2.639937|1.375998|1.482461|0.047275|0.048765|0.047377|0.054414|0.072564|0.081874|0.057984|0.214807|0.500000| |1.845365|2.141933|2.144489|2.503984|2.946422|2.957277|2.406566|4.939879|4.152704|6.445866|5.669509|6.734470|8.845895|17.502708|8.850399|6.814150|6.245993|3.725565|20.024324|2.721344|2.237701|2.779280|0.056953|1.903308|3.192961|1.860310|1.707630|1.661796|12.664200|1.927226|2.824716|1.520345|1.602927|0.047884|0.050271|0.049723|0.054598|0.070951|0.085283|0.063853|0.196710|0.215419|0.500000| |1.834000|2.121997|2.207476|2.604423|3.099123|2.890062|2.372157|5.401742|4.100027|5.943110|5.516971|4.817200|5.477962|8.802065|17.512483|8.840841|9.431860|4.721633|25.752269|3.453643|2.735909|3.244433|0.064609|2.208099|3.595901|2.220260|2.015532|1.993840|15.722956|2.375775|3.537825|1.803263|1.835689|0.047643|0.049045|0.050402|0.055960|0.071096|0.078929|0.065001|0.125976|0.123125|0.215026|0.500000| |2.170813|2.543439|2.990494|3.742898|3.976908|3.081340|2.621870|6.849849|4.455592|6.493293|4.557323|3.379259|3.140893|3.213971|4.166677|4.751734|9.207312|6.151919|56.404214|17.635500|8.924809|7.619313|0.139809|4.412274|6.355646|4.321667|3.361270|3.190134|27.563942|5.093919|9.621574|2.596589|2.807893|0.057877|0.055132|0.060421|0.077441|0.096925|0.080831|0.073045|0.083827|0.074078|0.080277|0.107825|0.500000| |2.595158|3.161447|3.915974|5.412813|5.357366|3.802126|3.162649|9.350184|5.913822|8.663012|5.202288|3.741652|3.224268|3.109077|3.810119|4.735636|8.451129|6.846092|56.862474|17.583515|8.913158|9.522567|0.198132|5.100435|7.590157|4.345599|3.336900|2.985986|23.650066|4.513000|7.647283|2.434900|2.923637|0.069432|0.064697|0.071028|0.101006|0.139644|0.100359|0.085899|0.092649|0.076445|0.078909|0.094901|0.301897|0.500000| |1.833724|1.899342|2.103614|2.120505|2.205919|1.973271|1.961118|2.952898|1.892932|3.097264|1.808045|1.584821|1.507700|1.587425|1.811990|1.947798|3.088679|2.454162|21.866311|2.683751|2.856519|3.867665|0.069463|3.297622|5.374151|4.355313|5.815405|8.855874|44.370173|4.363086|4.616418|17.543110|4.851124|0.048926|0.047221|0.055138|0.055479|0.052916|0.049734|0.059698|0.043326|0.038698|0.043378|0.051965|0.071368|0.065834|0.500000| |1.723135|1.773726|1.982777|1.992353|2.012557|1.794313|1.788974|2.695205|1.755374|2.905519|1.677141|1.479178|1.410554|1.466548|1.658939|1.770920|2.780609|2.186937|19.408643|2.534409|2.826587|3.891824|0.069792|3.316784|5.422881|4.361638|5.787963|8.867843|44.800394|4.387782|4.634639|17.544541|4.801763|0.046717|0.044251|0.051423|0.053377|0.050230|0.045807|0.053648|0.040154|0.036318|0.039790|0.047032|0.067347|0.062676|0.301864|0.500000| |1.952285|1.982974|2.214364|2.169144|2.194168|1.967061|2.002501|2.857231|1.834965|3.049473|1.721000|1.517020|1.428296|1.480571|1.669082|1.813065|2.841479|2.299361|20.349065|2.542205|2.774653|3.969136|0.071950|3.539884|6.033156|4.570747|6.888253|8.886805|36.316176|4.128735|4.326174|17.624111|6.728112|0.052621|0.049864|0.059385|0.059196|0.053924|0.049591|0.061163|0.041549|0.036825|0.040505|0.047195|0.066015|0.063668|0.302249|0.302468|0.500000| |3.049295|3.110398|3.732935|3.436984|3.334170|2.864023|3.033556|3.996002|2.452228|4.111541|2.163483|1.867772|1.690285|1.714122|1.936574|2.214105|3.511392|3.079850|28.196609|3.325648|3.586274|5.819111|0.107268|6.082921|12.151795|6.625569|8.899774|5.851630|29.314206|4.637950|4.948070|4.789038|17.588384|0.081556|0.073782|0.096609|0.098107|0.080478|0.069811|0.095728|0.051386|0.043267|0.046995|0.053387|0.080015|0.085821|0.117497|0.108890|0.146908|0.500000| |2.423763|2.427841|2.780214|2.620014|2.578451|2.287147|2.394442|3.221006|2.037738|3.422496|1.854240|1.626244|1.501274|1.534050|1.722539|1.916323|3.002158|2.519536|22.469881|2.765716|3.034674|4.664990|0.085528|4.508312|8.340912|5.457340|8.848214|7.065315|30.697774|4.238868|4.448654|6.784382|17.615633|0.065588|0.060505|0.075468|0.074620|0.063771|0.056987|0.074175|0.044683|0.038675|0.042049|0.048000|0.069196|0.070642|0.151471|0.148130|0.250029|0.301304|0.500000| |2.609441|2.628972|3.145142|2.937615|2.743687|2.377380|2.487591|3.394734|2.158328|3.667366|1.936114|1.691260|1.547950|1.556765|1.743294|1.952579|3.057119|2.578732|23.244360|3.018757|3.476937|5.798586|0.106715|6.081725|12.517388|6.554530|8.885225|5.895199|29.306280|4.611707|4.906130|4.856695|17.596513|0.072383|0.063815|0.080175|0.087231|0.071333|0.059789|0.075396|0.046081|0.039809|0.042339|0.047845|0.073713|0.078268|0.110664|0.117981|0.150607|0.304439|0.300868|0.500000| |8.921808|17.477752|8.918674|6.867552|5.734537|6.877151|8.927177|5.689987|3.973733|8.169614|3.035014|2.819899|2.300064|2.146703|2.243392|2.716767|3.735974|3.294943|21.187283|2.749824|2.519203|3.799582|0.084883|2.808295|5.438941|2.423478|2.252788|1.979503|13.441843|2.188788|2.973508|1.775225|2.364926|0.213231|0.213166|0.173523|0.214949|0.201398|0.202397|0.174441|0.081859|0.060347|0.060354|0.058152|0.067890|0.084880|0.048194|0.045407|0.049985|0.074606|0.059928|0.065138|0.500000| |6.928465|8.832987|17.496499|8.836515|6.808336|5.653402|6.804474|6.260389|3.740278|6.678315|2.921442|2.513875|2.126869|2.067102|2.281942|2.778084|4.203476|3.980424|29.958284|3.608746|3.432569|5.626251|0.122676|4.612810|9.705585|3.760642|3.472533|2.845515|18.420500|3.127982|4.031763|2.452105|3.796619|0.171880|0.140807|0.205410|0.304242|0.173536|0.130956|0.200795|0.070379|0.054392|0.057155|0.060402|0.083977|0.106368|0.065296|0.061001|0.069710|0.130029|0.091006|0.103206|0.174194|0.500000| |4.070991|5.480562|8.850984|17.560540|8.871798|5.497550|4.857402|9.495085|5.541131|9.649240|4.016198|3.221035|2.646958|2.504740|2.835103|3.569319|5.583107|5.366570|40.339302|5.640431|5.005737|8.228685|0.201055|5.512156|10.039393|4.138283|3.396320|2.843497|20.000261|3.650427|5.153597|2.365989|3.310225|0.108686|0.094716|0.108818|0.212784|0.302277|0.139115|0.127562|0.085883|0.065788|0.067083|0.072418|0.121234|0.191246|0.063068|0.059918|0.064644|0.104085|0.078432|0.090604|0.140427|0.216644|0.500000| |4.271215|5.825860|7.053360|9.029875|17.610507|8.994449|7.039113|12.693133|5.772594|8.942298|4.232079|3.353860|2.754339|2.751148|3.185372|4.233824|6.801469|7.973004|49.833480|4.872143|3.959127|5.707388|0.117737|4.301351|7.563765|3.833500|3.411482|2.946068|20.304409|3.445592|4.609024|2.510817|3.350815|0.102929|0.102881|0.120792|0.143213|0.175707|0.175198|0.208426|0.094546|0.068255|0.076392|0.084064|0.112456|0.142635|0.069277|0.061999|0.068802|0.109906|0.082089|0.085802|0.135323|0.208526|0.218381|0.500000| |4.064554|5.470594|4.847555|5.489113|8.838096|17.504612|8.816852|9.569574|5.822964|9.624935|4.426557|3.873973|3.072201|3.067153|3.330080|4.443980|5.954406|5.706913|29.242857|3.300661|2.738334|3.782268|0.079099|2.775253|4.937079|2.582562|2.406961|2.190562|15.305592|2.433042|3.320380|1.966292|2.400041|0.094622|0.108552|0.108528|0.106720|0.139099|0.302628|0.214960|0.120790|0.077964|0.090144|0.087757|0.083835|0.098064|0.055262|0.049528|0.054190|0.075720|0.061684|0.062497|0.140471|0.126961|0.123660|0.216365|0.500000| |6.898767|8.810640|5.504408|4.834850|5.507788|8.844388|17.524105|5.573731|3.718198|6.970351|2.970246|2.780238|2.302780|2.238385|2.340370|2.849690|3.871260|3.451901|21.189553|2.551344|2.280711|3.308223|0.070440|2.503852|4.703475|2.288826|2.196822|1.972384|13.300632|2.092947|2.794506|1.803802|2.305402|0.140957|0.206508|0.168739|0.123305|0.126326|0.215011|0.303466|0.084480|0.060647|0.065015|0.062182|0.064384|0.075600|0.049998|0.045675|0.050917|0.073437|0.059859|0.061413|0.215005|0.139572|0.106827|0.142926|0.212333|0.500000| |2.250209|2.742255|2.988614|3.921141|4.390249|3.727791|2.900710|8.789649|9.051175|11.920683|17.501023|8.880849|6.938309|5.812858|7.016581|9.019107|10.154573|5.846352|30.676101|4.973049|3.680027|4.394983|0.092988|2.777405|4.536533|2.568596|2.208041|2.077828|16.175754|2.674362|4.182968|1.813262|2.027551|0.059416|0.058768|0.059929|0.076580|0.114881|0.108142|0.075428|0.173873|0.141199|0.133261|0.142667|0.146698|0.166134|0.050405|0.047322|0.047957|0.059553|0.051384|0.054234|0.077792|0.077510|0.110941|0.106679|0.102004|0.073347|0.500000| |2.238633|2.715860|2.762369|3.430381|3.733086|3.645205|2.869383|6.330233|6.930822|13.132961|8.851271|17.614142|8.785208|5.472566|4.828847|5.507128|5.743188|3.863920|21.094056|3.135383|2.587002|3.319683|0.071661|2.190392|3.738490|2.015784|1.796067|1.687913|12.692586|2.035981|3.044168|1.510929|1.707960|0.059198|0.060111|0.058062|0.071669|0.107358|0.116449|0.071740|0.304282|0.210491|0.138521|0.106403|0.087791|0.100760|0.041998|0.039605|0.040628|0.050438|0.043878|0.046158|0.080921|0.069447|0.090126|0.088003|0.099299|0.075888|0.214005|0.500000| |1.805581|2.110694|2.191032|2.637404|2.881667|2.719277|2.236711|4.929605|4.547603|7.376683|6.816813|8.851184|17.497010|8.851904|6.752269|5.655487|5.833164|3.476338|19.896609|3.047983|2.521854|3.086144|0.064644|2.023774|3.371160|1.924419|1.716484|1.652955|12.807551|2.012017|3.069133|1.487214|1.597499|0.048000|0.048422|0.048045|0.057345|0.077792|0.080576|0.058380|0.173568|0.303597|0.173799|0.138804|0.091639|0.092835|0.041661|0.039331|0.039482|0.046357|0.041354|0.042945|0.060719|0.057272|0.072772|0.072578|0.076773|0.059167|0.204669|0.214851|0.500000| |1.646487|1.888116|1.929423|2.247945|2.545500|2.464314|2.059898|4.246604|3.536206|5.559294|4.866253|5.475311|8.807465|17.543413|8.832550|5.513823|5.637189|3.258660|18.685792|2.673742|2.229494|2.716097|0.055434|1.834603|3.047268|1.803183|1.644493|1.615408|12.550765|1.902056|2.839387|1.477008|1.526277|0.043304|0.044564|0.044516|0.049938|0.063841|0.070612|0.055065|0.138363|0.211480|0.303672|0.211714|0.081457|0.076828|0.042044|0.039025|0.039071|0.044181|0.040041|0.040516|0.053186|0.051668|0.061766|0.066710|0.072748|0.055191|0.129976|0.122932|0.215318|0.500000| |1.838029|2.144350|2.281657|2.762887|3.162093|2.838003|2.323099|5.697634|4.599790|6.625229|6.875538|5.647765|6.746822|8.807235|17.517711|8.910730|9.819043|4.717364|26.615318|3.999604|3.105401|3.587634|0.072227|2.353155|3.795288|2.316990|2.048073|2.005717|16.068014|2.505947|3.887282|1.785409|1.850634|0.048357|0.048705|0.050064|0.058637|0.076958|0.079064|0.062729|0.130657|0.138701|0.173359|0.302567|0.130689|0.113415|0.050653|0.046905|0.046607|0.053491|0.047839|0.048827|0.059470|0.061614|0.078481|0.083584|0.082456|0.060198|0.209431|0.126824|0.197813|0.213851|0.500000| |2.351288|2.845421|2.900172|3.554720|4.682847|4.505095|3.347236|8.922262|6.906235|9.069090|8.891537|6.883376|5.760901|6.914166|8.910223|17.391414|12.273978|7.201700|30.736778|3.800725|2.911780|3.610783|0.073559|2.481172|4.126147|2.407794|2.177197|2.080100|15.733717|2.463125|3.585690|1.861051|2.032139|0.059737|0.062812|0.063779|0.070983|0.096972|0.123182|0.089344|0.203424|0.129025|0.204358|0.215209|0.108390|0.110696|0.053097|0.047794|0.049538|0.060785|0.052551|0.052918|0.078105|0.077712|0.093965|0.120597|0.144697|0.086706|0.175220|0.140958|0.132326|0.141157|0.174534|0.500000| |2.183480|2.576756|2.805151|3.424833|4.273672|3.594195|2.895603|7.983121|5.073641|6.831648|5.832548|4.196142|3.956261|4.673944|7.314646|9.271146|25.916312|9.530218|48.181556|5.616587|3.953617|4.504037|0.087017|3.054074|4.805903|3.110747|2.733271|2.668050|21.393226|3.369520|5.051124|2.319215|2.414407|0.056298|0.056937|0.060917|0.069524|0.088677|0.092519|0.081393|0.109494|0.090734|0.120889|0.212311|0.175926|0.143053|0.066757|0.059184|0.059978|0.070988|0.061857|0.061717|0.068488|0.078654|0.098460|0.122280|0.107856|0.072612|0.154865|0.098283|0.105546|0.111893|0.190299|0.208655|0.500000| |2.896336|3.566295|3.853243|4.756152|7.243358|5.795225|4.343495|12.567129|6.041945|8.129430|5.301524|3.942542|3.343323|3.614509|4.579208|6.659275|12.300836|17.477030|58.208830|5.114092|3.776625|4.786702|0.094310|3.440528|5.636464|3.383094|3.036930|2.822512|20.784150|3.349646|4.649550|2.446732|2.806852|0.072010|0.074558|0.081595|0.089553|0.114630|0.132890|0.125839|0.111140|0.080198|0.101085|0.125296|0.131547|0.138952|0.069910|0.060861|0.065096|0.086835|0.071182|0.070760|0.090934|0.109949|0.128430|0.231056|0.185201|0.103696|0.127577|0.095650|0.086135|0.085525|0.114020|0.197951|0.227583|0.500000| |2.144009|2.450322|2.985893|3.573887|3.350149|2.643793|2.380831|5.064654|3.411272|5.488605|3.252854|2.635270|2.437700|2.386336|2.815675|3.120907|5.182553|3.903734|36.280660|9.097065|17.592933|12.668995|0.222626|5.768654|7.904320|5.085925|3.672730|3.348988|28.458779|5.897454|12.686952|2.659204|3.051474|0.058903|0.053733|0.059656|0.081659|0.093600|0.070232|0.066130|0.066403|0.059870|0.060814|0.073275|0.223511|0.221634|0.069869|0.070498|0.068109|0.084171|0.073346|0.084101|0.065656|0.084070|0.122587|0.094184|0.069288|0.058508|0.102784|0.072314|0.071761|0.061846|0.085909|0.076043|0.099443|0.091186|0.500000| 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