Version2.4 2021-04-30T15:17:49Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 02-Nov-2018 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1(Cc2c(sc(n2)C3CCCCC3)[C@@H](C1)[NH2+]C)C C50331321 RHF 6-31G(d) (6D,7F) CC1(Cc2c(sc(n2)C3CCCCC3)[C@@H](C1)[NH2+]C)C C01[X(C16H27N2S1)] 132 C1 343 C[NH2+][C@@H]1CC(C)(C)Cc2c1sc(n2)C1CCCCC1 C[NH2+][C@@H]1CC(C)(C)Cc2c1sc(n2)C1CCCCC1 C[NH2+][C@@H]1CC(C)(C)Cc2nc(sc12)C3CCCCC3 InChIKey=HTAOOBNXMSJEPG-GFCCVEGCSA-O InChI=1S/C16H26N2S/c1-16(2)9-12(17-3)14-13(10-16)18-15(19-14)11-7-5-4-6-8-11/h11-12,17H,4-10H2,1-3H3/p+1/t12-/m1/s1 InChI=1/C16H26N2S/c1-16(2)9-12(17-3)14-13(10-16)18-15(19-14)11-7-5-4-6-8-11/h11-12,17H,4-10H2,1-3H3/p+1/t12-/m1/s1/fC16H27N2S/h17H/q+1 CC1(Cc2c(sc(n2)C3CCCCC3)[C@@H](C1)[NH2+]C)C C01[X(C16H27N2S1)] 132 C01 343 C[NH2+][C@@H]1CC(C)(C)Cc2c1sc(n2)C1CCCCC1 C[NH2][C@@H]1CC(C)(C)C[C]2=C1SC(=[N]2)C1CCCCC1 C[NH2][C@@H]1CC(C)(C)Cc2nc(sc12)C3CCCCC3 InChIKey=GMIIDTWZANNMDN-GFCCVEGCSA-N InChI=1S/C16H27N2S/c1-16(2)9-12(17-3)14-13(10-16)18-15(19-14)11-7-5-4-6-8-11/h11-12H,4-10,17H2,1-3H3/t12-/m1/s1 InChI=1/C16H27N2S/c1-16(2)9-12(17-3)14-13(10-16)18-15(19-14)11-7-5-4-6-8-11/h11-12H,4-10,17H2,1-3H3/t12-/m1/s1 1660.3201868297 -1127.8366328 1-A 7578.8360 76 267 343 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.09771 -15.86290 -15.67624 -11.46409 -11.45115 -11.43091 -11.40109 -11.38690 -11.38031 -11.36814 -11.34482 -11.33747 -11.32465 -11.32205 -11.30604 -11.30445 -11.29201 -11.29103 -11.28587 -9.10861 -6.79112 -6.79020 -6.78846 -1.49542 -1.41121 -1.27663 -1.21442 -1.21069 -1.15573 -1.15216 -1.13216 -1.09735 -1.08840 -1.05363 -1.03803 -1.01561 -0.95483 -0.94652 -0.92058 -0.91801 -0.86870 -0.85315 -0.84412 -0.83105 -0.80284 -0.77832 -0.76693 -0.74818 -0.74184 -0.74121 -0.73038 -0.71579 -0.70527 -0.70164 -0.68677 -0.68494 -0.67676 -0.66590 -0.65485 -0.64224 -0.63596 -0.62019 -0.61499 -0.61064 -0.59943 -0.58452 -0.58259 -0.57805 -0.57019 -0.56825 -0.54153 -0.53473 -0.51851 -0.50877 -0.50143 -0.45039 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -0.00399 0.00819 0.04874 0.07052 0.08618 0.09297 0.12128 0.12500 0.13629 0.14490 0.14964 0.15267 0.16499 0.16907 0.17864 0.18201 0.18580 0.19614 0.19900 0.20599 0.20853 0.21513 0.22671 0.23037 0.23324 0.24172 0.24808 0.25265 0.25692 0.26161 0.26271 0.26712 0.26944 0.27037 0.27460 0.28527 0.28894 0.30433 0.30998 0.32095 0.32964 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822.4401 847.0315 860.5941 866.1392 885.6719 920.2245 949.2703 967.2211 970.2973 1003.7119 1005.9119 1011.4077 1019.5078 1037.0200 1050.3923 1070.3560 1091.4232 1103.1705 1114.3464 1133.2989 1136.9456 1151.9127 1171.9041 1191.9123 1199.0879 1215.4231 1257.6820 1275.4272 1283.2566 1289.4431 1315.9432 1319.3439 1336.1090 1385.6872 1399.7470 1402.9767 1416.4458 1418.7454 1442.4331 1458.8036 1464.0352 1485.3046 1495.7093 1502.2368 1508.4172 1513.4951 1529.9827 1531.4082 1535.1354 1554.9604 1560.8846 1564.0940 1582.1754 1585.7584 1602.0205 1622.9765 1629.8829 1631.1247 1634.9272 1635.2771 1637.9535 1640.1994 1642.8288 1643.4223 1645.7561 1651.8850 1658.6024 1660.0559 1702.4626 1782.7163 1823.1433 3190.6000 3190.6997 3191.5540 3198.5787 3202.1775 3205.1484 3208.5336 3209.1265 3213.5502 3214.8471 3244.6534 3248.7137 3250.0073 3255.2579 3255.4163 3264.0609 3267.0102 3268.9012 3272.1820 3272.7139 3275.6908 3281.1538 3288.1476 3365.2953 3387.3508 3667.3455 3729.6987 3.1483 3.4705 3.7295 3.8437 2.1057 3.4980 3.1389 2.9097 2.9586 1.4921 2.2691 1.8803 1.1904 2.6312 1.9269 2.4310 1.5105 3.2939 2.5790 2.4144 2.8286 2.2805 3.3158 3.0863 2.9939 3.0814 2.6557 2.2989 2.2233 5.0220 5.2268 6.5425 5.9123 3.6290 3.1308 2.6992 3.6805 1.4484 1.4859 2.3259 3.0262 1.9684 1.6174 1.8106 1.9229 1.4447 1.8516 1.7417 2.4499 3.6576 2.2327 2.1595 1.9210 1.6536 1.5300 1.9301 1.7203 1.4535 2.9314 1.3481 1.8539 1.7479 1.5864 2.2611 1.3376 1.6927 2.2758 1.4398 1.8869 1.2795 1.2508 2.0209 1.6670 1.2352 1.3411 1.3218 1.3511 1.4032 1.6441 1.4090 1.4840 1.5226 1.5122 1.4634 1.6181 1.3405 1.3752 1.2741 1.1561 1.0974 1.0640 1.0866 1.0909 1.0554 1.0507 1.1028 1.0907 1.0445 1.0684 1.0610 1.1014 1.0576 8.8361 8.8846 1.0778 1.0680 1.0699 1.0743 1.0636 1.0853 1.0420 1.0531 1.0632 1.0640 1.0500 1.0965 1.0996 1.0945 1.0911 1.1038 1.1031 1.0777 1.0910 1.0673 1.0997 1.0890 1.1033 1.1017 1.1106 1.1098 1.0565 1.0956 0.0003 0.0044 0.0093 0.0123 0.0113 0.0320 0.0346 0.0502 0.0643 0.0477 0.0774 0.0672 0.0451 0.1092 0.0902 0.1306 0.0879 0.2147 0.1898 0.1986 0.2671 0.2394 0.4058 0.4037 0.4145 0.4539 0.4192 0.4029 0.4124 1.2324 1.3677 2.0009 1.9388 1.2961 1.2477 1.1410 1.6060 0.6402 0.6867 1.1604 1.6067 1.0849 0.8972 1.0747 1.1464 0.8707 1.1339 1.1035 1.5926 2.4689 1.5670 1.5484 1.4055 1.2513 1.1653 1.5090 1.3920 1.2166 2.4833 1.1734 1.7277 1.6753 1.5392 2.2150 1.3647 1.7360 2.3936 1.6289 2.1782 1.4839 1.4785 2.3966 2.0435 1.5487 1.6936 1.7181 1.7808 1.8658 2.2041 1.9016 2.0467 2.1039 2.0997 2.0848 2.3227 1.9321 2.0283 1.8877 1.7481 1.7031 1.6653 1.7033 1.7181 1.6629 1.6608 1.7480 1.7343 1.6621 1.7049 1.7057 1.7851 1.7172 15.0893 16.6362 2.1108 6.4058 6.4172 6.4472 6.4111 6.5567 6.3071 6.3876 6.4512 6.4737 6.3936 6.8015 6.8374 6.8111 6.8120 6.8924 6.9245 6.7770 6.8686 6.7334 6.9397 6.8844 6.9987 7.0181 7.4105 7.5027 8.3720 8.9795 1.6667 0.7974 0.6444 1.5916 2.2227 1.9272 1.1250 2.1620 1.5435 0.4814 0.8003 0.2181 0.4638 3.5289 2.4552 4.7673 0.9434 0.3245 1.7547 1.0257 1.6716 1.0077 5.9864 0.0397 1.7527 3.6277 0.5947 1.3554 3.2568 0.3883 2.6606 1.2206 3.8727 11.8783 12.4234 5.2486 0.8067 0.0308 14.9236 4.6902 47.0017 3.0527 2.7630 5.5978 2.0708 0.4320 8.1094 1.3712 4.1608 32.0234 40.1170 18.2781 10.2549 0.3640 0.4129 2.9931 0.1146 0.3055 34.0431 0.5099 10.9107 7.1584 6.9245 22.2896 0.9648 3.2390 1.3953 3.4009 28.1939 2.0921 2.2989 12.6535 6.3932 0.2836 5.6401 0.1172 0.0141 1.8774 22.8691 0.4215 24.9159 0.1692 45.1752 8.2734 13.4697 7.6331 156.9579 45.8133 0.9466 2.6259 0.5002 0.1177 6.9183 2.1112 35.8143 1.8535 9.5404 32.0095 1.9191 4.5254 2.2763 7.6870 96.2280 64.7444 63.7126 21.0848 10.0349 22.8638 35.7382 18.1505 16.6358 21.9052 44.2608 17.2261 11.1408 74.1265 11.8142 63.5003 0.6720 2.5410 88.6444 3.0429 9.5573 8.0002 23.0323 62.5493 14.1729 38.5298 1.1938 0.8620 45.1650 62.5771 0.5386 0.0839 0.2784 0.6001 0.2285 0.8949 0.6756 0.6987 0.7601 1.5537 1.9727 0.1426 0.7174 0.4841 0.5786 0.6050 0.5385 1.5544 0.5849 0.2432 0.3758 1.1977 1.2520 0.8434 1.5309 1.5803 4.7873 3.0725 2.1046 2.3249 3.5118 2.4682 1.9332 6.1265 1.2652 7.4467 26.0640 1.8269 1.3033 0.4213 7.2578 0.3289 5.0439 2.4657 4.1703 0.2302 8.4853 4.6628 1.2868 9.6657 6.0912 8.2435 8.7530 2.1024 12.2281 5.1813 0.6653 1.9544 1.9966 3.5133 0.9682 3.5128 5.4666 21.1017 3.1437 8.3251 4.8759 10.1249 11.3465 4.1125 22.5992 15.6307 2.4037 14.8491 2.6494 0.5754 7.5235 6.8626 7.5614 0.2616 4.8949 1.6509 19.2790 2.8242 13.8896 3.1582 8.2318 3.0406 3.3219 12.8439 3.7042 28.9621 23.3713 33.5891 5.7709 0.1544 2.0378 13.0268 8.8432 20.1871 3.2441 2.5264 160.2437 21.3289 5.2619 25.7957 29.3979 108.5023 19.2893 59.8288 9.2220 23.7950 55.6034 93.3382 270.1400 47.8553 163.7378 192.0407 23.8365 66.3004 11.4358 23.0038 30.1253 84.4198 32.6770 195.0815 24.0832 125.4179 67.8941 35.8451 32.9851 21.2290 0.7500 0.7434 0.7494 0.7481 0.7435 0.7424 0.6051 0.4707 0.5675 0.1492 0.1099 0.4192 0.1231 0.7046 0.2200 0.3786 0.3585 0.6976 0.2423 0.5772 0.4123 0.5371 0.7495 0.7033 0.2509 0.2013 0.1401 0.0872 0.0946 0.5723 0.1473 0.5981 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1.00783 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 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 2711.4178 10583.7409 12069.8122 1.00000 0.00063 0.00010 -0.00063 0.99991 -0.01339 -0.00011 0.01339 0.99991 1 0.03194 0.00818 0.00718 0.66561 0.17052 0.14953 17.05 66.82 93.71 106.08 137.08 179.18 196.88 246.25 276.36 335.20 346.29 354.31 364.78 381.78 405.53 434.42 452.23 478.50 508.48 537.61 576.04 607.31 655.70 677.95 697.40 719.38 744.74 784.67 807.33 928.54 958.83 1036.60 1073.38 1120.19 1183.31 1218.69 1238.20 1246.18 1274.28 1324.00 1365.79 1391.62 1396.04 1444.12 1447.28 1455.19 1466.84 1492.04 1511.28 1540.00 1570.31 1587.22 1603.30 1630.56 1635.81 1657.35 1686.11 1714.90 1725.22 1748.72 1809.52 1835.06 1846.32 1855.22 1893.35 1898.24 1922.36 1993.69 2013.92 2018.57 2037.95 2041.26 2075.34 2098.89 2106.42 2137.02 2151.99 2161.38 2170.28 2177.58 2201.30 2203.35 2208.72 2237.24 2245.76 2250.38 2276.40 2281.55 2304.95 2335.10 2345.04 2346.82 2352.30 2352.80 2356.65 2359.88 2363.66 2364.52 2367.88 2376.69 2386.36 2388.45 2449.46 2564.93 2623.10 4590.56 4590.71 4591.93 4602.04 4607.22 4611.49 4616.36 4617.22 4623.58 4625.45 4668.33 4674.17 4676.04 4683.59 4683.82 4696.26 4700.50 4703.22 4707.94 4708.71 4712.99 4720.85 4730.91 4841.91 4873.64 5276.49 5366.20 0.446759 0.464874 0.465818 0.399613 -1127.389874 -1127.371759 -1127.370814 -1127.437020 2.220560D-04 MUNgauss RevisionA2.1 retrievium 30-Apr-2021 DUDE CC1(Cc2c(sc(n2)C3CCCCC3)[C@@H](C1)[NH2+]C)C C50331321 RHF 6-31G(d) (6D,10F) C1 279.189496 |X|Y|Z| 76.111511 36.131519 21.913545 39.205747 15 6 7 16 13 1 1 |36.858105| |12.386831|36.858105| |7.516591|12.354948|36.858105| |6.017065|7.552416|12.700531|36.858105| |5.641461|6.628322|7.587614|14.155761|36.858105| |3.932279|4.162897|4.767957|7.524195|10.921986|388.023441| |3.794213|4.062711|5.286632|8.651529|7.806221|77.447867|36.858105| |4.484972|5.036259|7.632419|13.885395|8.283717|53.116483|14.917441|53.358707| |2.979254|3.101998|3.842110|5.212003|4.856003|47.705047|12.637522|10.496320|36.858105| |2.603952|2.803554|3.500417|4.416749|4.003294|34.886330|7.598644|8.406890|12.365626|36.858105| |2.189418|2.303184|2.759865|3.288983|3.066505|26.279121|4.930043|5.749215|7.528312|12.440440|36.858105| |2.157931|2.212230|2.631345|3.057482|2.806973|23.367919|4.376291|5.323457|6.433133|7.522941|12.446563|36.858105| |2.358461|2.351738|2.770222|3.289939|3.058564|26.254941|4.930510|5.759458|7.529638|6.436448|7.537526|12.446738|36.858105| |2.904697|2.892852|3.521644|4.418815|3.985282|34.824619|7.598756|8.438402|12.365192|7.503304|6.435319|7.522591|12.441077|36.858105| |6.187148|7.384834|6.316929|7.597519|12.773431|46.881573|4.856671|6.977594|3.536537|3.066508|2.483710|2.302434|2.482766|3.064554|36.858105| |6.315108|6.250689|5.141242|5.963298|8.870512|42.420493|4.339277|6.016419|3.291334|2.797983|2.323592|2.191816|2.405711|2.945475|17.583390|0.500000| |7.512863|12.326710|7.591289|6.724161|7.622448|32.364625|3.965288|6.170677|3.018796|2.736068|2.247868|2.108890|2.231296|2.706115|12.400772|0.242471|36.858105| |4.182049|4.914751|4.506648|5.287559|7.756419|41.318626|4.140888|5.585862|3.208106|2.886623|2.375220|2.152322|2.275980|2.712708|12.436436|0.254614|7.631240|53.358707| |3.846139|4.775940|4.623162|5.348831|7.200745|38.798517|4.165269|5.717948|3.241717|3.020536|2.458368|2.192816|2.273407|2.694197|9.167557|0.181779|7.142119|25.670074|0.500000| |3.711148|4.135666|3.991885|4.936518|7.384060|48.187873|4.374975|5.548193|3.432984|3.035889|2.503963|2.248613|2.395733|2.847636|9.145735|0.221432|5.665807|25.692448|0.330213|0.500000| |3.687336|4.142626|3.583662|3.857528|4.969406|28.999483|3.140010|4.270703|2.573291|2.355785|2.006224|1.844113|1.942802|2.254359|7.406314|0.195558|6.188819|17.367149|0.255813|0.258137|36.858105| |7.620174|12.418283|7.584810|4.961803|4.409008|22.422284|3.157244|5.187996|2.559483|2.403890|2.027199|1.958031|2.040864|2.426854|4.889143|0.120941|7.635070|5.224388|0.107310|0.090895|3.509351|36.858105| |17.573782|8.796222|6.789571|5.230566|4.590042|24.506918|3.524388|5.753925|2.858028|2.523793|2.148258|2.155570|2.354168|2.879700|4.662108|0.130367|5.477613|4.647513|0.089559|0.086227|3.054129|7.043936|0.500000| |17.543693|8.755222|5.468106|4.645015|4.680405|24.480604|3.206095|4.934440|2.596268|2.294766|1.964675|1.934357|2.105449|2.529673|5.606638|0.169741|6.910543|5.475570|0.100933|0.098531|3.784796|6.892065|0.302487|0.500000| |17.559160|8.665370|6.854363|6.627492|6.582812|33.024440|4.352364|6.795946|3.344010|2.811018|2.349837|2.323524|2.599048|3.273067|6.774951|0.207230|6.681316|5.994557|0.109352|0.112392|3.756527|5.491900|0.303069|0.301045|0.500000| |5.501301|8.762066|17.517449|8.999428|6.155570|29.979320|4.722340|8.913702|3.590441|3.468355|2.736373|2.563590|2.614572|3.228793|5.354783|0.119700|6.630281|5.781133|0.127968|0.103945|3.430252|7.258995|0.143103|0.122826|0.138249|0.500000| |7.123844|8.763357|17.577343|9.016230|5.786539|29.671509|4.941820|9.807565|3.783199|3.443593|2.765129|2.717977|2.879285|3.673136|4.848038|0.118576|5.516738|4.952490|0.102169|0.092524|3.013178|6.630917|0.210243|0.142652|0.181196|0.304551|0.500000| |2.742174|2.820302|3.333634|4.430937|4.489122|48.634728|9.020925|7.837422|17.520344|8.875362|6.879781|5.731337|6.881761|8.876327|3.396690|0.089581|2.831448|4.341118|0.088411|0.097726|2.579443|2.341712|0.072260|0.067758|0.085959|0.086735|0.089711|0.500000| |2.539212|2.793500|3.442048|4.357734|4.108912|36.105157|6.950968|7.707216|8.791996|17.531104|8.811619|5.484725|4.830272|5.473567|3.178017|0.079277|2.812830|4.221498|0.092107|0.091378|2.506430|2.402795|0.067337|0.062733|0.075519|0.096866|0.090947|0.214264|0.500000| |2.717056|2.969558|3.843375|4.681689|3.971233|31.504324|7.018463|9.221083|8.859974|17.547801|8.825025|6.774326|5.669087|6.802877|3.051669|0.076533|2.815894|3.831600|0.082535|0.080174|2.307881|2.573125|0.074179|0.065796|0.080162|0.107916|0.107311|0.174345|0.302921|0.500000| |2.076601|2.168305|2.537130|3.039970|2.943967|26.152157|4.546996|5.119641|6.784534|8.846518|17.501924|8.845052|6.775209|5.644307|2.417884|0.063441|2.155580|3.205112|0.067259|0.070041|1.999802|1.905226|0.056112|0.052296|0.062263|0.069447|0.069729|0.203107|0.214791|0.173491|0.500000| |2.029699|2.158897|2.575014|2.977757|2.764839|22.754870|4.097013|5.038709|5.493929|8.858665|17.551981|8.812093|5.491090|4.833640|2.288265|0.059156|2.110066|3.014364|0.064381|0.064244|1.891499|1.935445|0.055508|0.050897|0.059616|0.072410|0.071583|0.140784|0.212740|0.214529|0.303668|0.500000| |1.927378|1.965196|2.288445|2.606946|2.435108|20.085477|3.538729|4.356875|4.833985|5.488730|8.827480|17.553576|8.826320|5.488326|2.047373|0.054566|1.885840|2.636601|0.054714|0.056260|1.684872|1.761937|0.053564|0.048556|0.057324|0.062217|0.065497|0.128317|0.123210|0.139160|0.215063|0.211522|0.500000| |2.199329|2.265514|2.731853|3.094337|2.757441|21.957578|4.181685|5.415964|5.641296|6.773956|8.853608|17.507452|8.853214|6.773933|2.269033|0.059665|2.120554|2.855616|0.059660|0.060030|1.802679|2.025836|0.061799|0.054455|0.065049|0.074516|0.079864|0.132107|0.139204|0.199188|0.173724|0.214942|0.303514|0.500000| |2.227427|2.210850|2.545598|3.040769|2.936576|26.127055|4.547370|5.127250|6.785456|5.645156|6.774846|8.844707|17.502258|8.846083|2.416972|0.065722|2.140201|3.066909|0.062105|0.066824|1.933847|1.917159|0.061065|0.055904|0.068541|0.066710|0.072205|0.203172|0.126427|0.131140|0.198972|0.139146|0.215031|0.173716|0.500000| |2.271928|2.227907|2.589290|2.978890|2.754900|22.727769|4.097371|5.050302|5.494729|4.834252|5.491313|8.812927|17.553163|8.860039|2.286967|0.062210|2.086853|2.833530|0.057449|0.060328|1.803236|1.955734|0.063924|0.056590|0.069247|0.067607|0.076079|0.140821|0.106514|0.127012|0.139158|0.123178|0.211508|0.214940|0.303704|0.500000| |3.078291|3.079976|3.872272|4.683939|3.952880|31.456219|7.018086|9.263280|8.859583|6.802739|5.668655|6.774467|8.825267|17.549805|3.049571|0.080575|2.782094|3.604215|0.073614|0.075499|2.209202|2.602221|0.086721|0.073332|0.094856|0.098525|0.116906|0.174355|0.139677|0.201624|0.131132|0.127006|0.139158|0.199197|0.173489|0.214544|0.500000| |3.071963|2.948753|3.476915|4.361869|4.076733|35.996810|6.953302|7.750335|8.794729|5.474546|4.829984|5.484581|8.810753|17.537034|3.174714|0.087147|2.758626|3.762582|0.074592|0.081031|2.310857|2.442277|0.084365|0.074503|0.098854|0.086174|0.100792|0.214347|0.122914|0.139703|0.126417|0.106510|0.123198|0.139206|0.214750|0.212723|0.302988|0.500000| |6.881924|8.812117|5.517071|4.928623|5.576548|27.009635|3.289704|4.953452|2.610937|2.377634|2.001843|1.894407|2.006761|2.385853|8.825853|0.220927|17.570847|9.064111|0.165402|0.140337|6.574086|7.049795|0.141615|0.207811|0.165216|0.138467|0.123308|0.069120|0.067731|0.067500|0.053753|0.052438|0.047584|0.052806|0.053883|0.052632|0.067750|0.068156|0.500000| |5.498165|8.861391|7.003215|6.147153|6.606261|30.109964|3.793912|5.909417|2.935792|2.755422|2.256125|2.084747|2.160671|2.585933|8.876223|0.174748|17.497204|10.127160|0.228404|0.151622|6.050722|7.108294|0.123434|0.141514|0.137791|0.199375|0.140933|0.076323|0.080214|0.079341|0.059934|0.059575|0.051872|0.058408|0.057488|0.055828|0.073971|0.071691|0.302396|0.500000| |3.770042|3.961139|3.362230|3.620795|4.654411|27.984900|3.008666|4.056711|2.488827|2.238459|1.927123|1.794905|1.916047|2.220973|6.885609|0.215366|5.592438|12.335282|0.179958|0.218393|17.652733|3.332789|0.086247|0.110732|0.108915|0.087034|0.080329|0.069801|0.065188|0.060673|0.053563|0.050162|0.045697|0.048612|0.053239|0.049733|0.060205|0.064254|0.173513|0.140029|0.500000| |3.801113|4.426970|3.674274|3.727389|4.525083|25.375807|2.909363|4.082994|2.394855|2.226292|1.901186|1.757623|1.837180|2.124878|6.662810|0.169452|6.840516|12.290213|0.221482|0.180674|17.688026|3.926551|0.087547|0.110416|0.102846|0.099555|0.085391|0.065650|0.065468|0.061543|0.052151|0.050198|0.044662|0.048196|0.050352|0.047670|0.058676|0.060127|0.221122|0.195684|0.298999|0.500000| |3.062141|3.410411|3.083373|3.345768|4.184316|26.418183|2.890681|3.857609|2.434502|2.263728|1.950016|1.777451|1.856303|2.119956|5.483143|0.144899|4.698771|12.330836|0.219506|0.227599|17.647676|2.984800|0.072604|0.086572|0.086910|0.083741|0.073364|0.068678|0.067698|0.061074|0.054483|0.051378|0.045410|0.048017|0.051709|0.047738|0.057282|0.059944|0.134743|0.133988|0.299116|0.299614|0.500000| |6.909930|8.796468|6.956486|4.541807|3.874156|20.638322|3.022083|5.022861|2.500636|2.360750|2.009506|1.970175|2.051044|2.429230|4.032917|0.102650|5.520505|4.391831|0.090204|0.078914|2.948700|17.566014|0.210453|0.168307|0.141367|0.184687|0.197582|0.062969|0.064568|0.071075|0.052051|0.053415|0.049279|0.057262|0.053033|0.055163|0.073600|0.067742|0.142410|0.144221|0.078903|0.089333|0.071264|0.500000| |5.501900|8.732787|6.863046|4.682749|4.175661|21.615474|3.058314|4.998484|2.500922|2.408698|2.027345|1.932402|1.980589|2.331023|4.570425|0.109309|6.994446|5.209775|0.111723|0.090024|3.503196|17.546646|0.142062|0.140941|0.122084|0.215978|0.160783|0.063597|0.067835|0.071983|0.052850|0.054336|0.048386|0.055616|0.051718|0.052391|0.069229|0.064157|0.175320|0.215774|0.089487|0.110847|0.084223|0.301966|0.500000| 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