Version2.0 2020-07-31T07:40:39Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 09-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CS(=O)(=O)N[C@H]1Nc2ccc(cc2S1)C(=O)NCCC3=c4ccccc4=[NH+]C3 C63280863 RHF 6-31G(d) (6D,7F) CS(=O)(=O)N[C@H]1Nc2ccc(cc2S1)C(=O)NCCC3=c4ccccc4=[NH+]C3 C01[X(C19H21N4O3S2)] 141 C1 470 O=C(c1ccc2c(c1)S[C@H](N2)NS(=O)(=O)C)NCCC1=c2ccccc2=[NH+]C1 O=C(c1ccc2c(c1)S[C@H](N2)NS(=O)(=O)C)NCCC1=c2ccccc2=[NH+]C1 C[S](=O)(=O)N[C@H]1Nc2ccc(cc2S1)C(=O)NCCC3=C4C=CC=CC4=[NH+]C3 InChIKey=ACZVXPLPRBNSSM-LJQANCHMSA-O InChI=1S/C19H20N4O3S2/c1-28(25,26)23-19-22-16-7-6-12(10-17(16)27-19)18(24)20-9-8-13-11-21-15-5-3-2-4-14(13)15/h2-7,10,19,22-23H,8-9,11H2,1H3,(H,20,24)/p+1/t19-/m1/s1 InChI=1/C19H20N4O3S2/c1-28(25,26)23-19-22-16-7-6-12(10-17(16)27-19)18(24)20-9-8-13-11-21-15-5-3-2-4-14(13)15/h2-7,10,19,22-23H,8-9,11H2,1H3,(H,20,24)/p+1/t19-/m1/s1/fC19H21N4O3S2/h20-21H/q+1 CS(=O)(=O)N[C@H]1Nc2ccc(cc2S1)C(=O)NCCC3=c4ccccc4=[NH+]C3 C01[X(C19H21N4O3S2)] 141 C01 470 O=C(c1ccc2c(c1)S[C@H](N2)NS(=O)(=O)C)NCCC1=c2ccccc2=[NH+]C1 O=C([C]1[CH][CH][C]2[C]([CH]1)S[C@H](N2)N[S@]([O])(=O)C)NCCC1=[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1 C[S]([O])(=O)N[C@H]1N[C]2[CH][CH][C]([CH][C]2S1)C(=O)NCCC3=C4C=CC=C[C]4NC3 InChIKey=LWSPANHQYQTMTH-LJQANCHMSA-N InChI=1S/C19H21N4O3S2/c1-28(25,26)23-19-22-16-7-6-12(10-17(16)27-19)18(24)20-9-8-13-11-21-15-5-3-2-4-14(13)15/h2-7,10,19,21-23H,8-9,11H2,1H3,(H,20,24)/t19-/m1/s1 InChI=1/C19H21N4O3S2/c1-28(25,26)23-19-22-16-7-6-12(10-17(16)27-19)18(24)20-9-8-13-11-21-15-5-3-2-4-14(13)15/h2-7,10,19,21-23H,8-9,11H2,1H3,(H,20,24)/t19-/m1/s1/f/h20H 2751.6150496941 -1968.8814553 1-A 24602.3256 109 361 470 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -92.27364 -92.03527 -20.62820 -20.62172 -20.61858 -15.76579 -15.69073 -15.67121 -15.66162 -11.47508 -11.45223 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472.8513 473.8712 491.7775 509.5056 528.6587 537.6675 539.4330 551.3181 558.6328 570.6766 580.3660 591.6543 610.2610 623.4199 627.7923 637.0211 696.8802 719.7567 728.8125 789.1669 797.1595 803.1055 826.7561 833.0645 853.2316 858.8990 875.0115 890.6642 929.6424 939.7559 950.0795 957.5994 977.6832 1004.4770 1009.2308 1051.6822 1056.2510 1060.8954 1075.5500 1097.0182 1099.5433 1102.4171 1119.1800 1128.8942 1143.7484 1147.8467 1156.7033 1157.6803 1163.6006 1172.2080 1244.0321 1256.8432 1260.5238 1267.1052 1272.9831 1298.7557 1306.7163 1319.1465 1331.6431 1365.0528 1375.9038 1387.9481 1414.5135 1417.3469 1423.9346 1440.8972 1451.9404 1468.4163 1500.5516 1502.1528 1532.9938 1536.8028 1554.1201 1558.0788 1563.7854 1578.7662 1593.3669 1593.5985 1596.7924 1614.6469 1620.9078 1630.6134 1647.1149 1655.4673 1656.0286 1703.3491 1739.2333 1768.4845 1771.0044 1785.6733 1849.1294 1890.1426 3245.0495 3249.3004 3256.4794 3260.2911 3299.4464 3313.5300 3315.7060 3347.7442 3349.2116 3360.5880 3372.4860 3389.2528 3391.7527 3400.6542 3409.1473 3411.3865 3418.3036 3797.5659 3844.7144 3874.0139 3900.6257 6.3150 6.5311 5.2513 5.8923 5.8919 6.3786 5.8596 6.0717 4.7489 4.4062 4.7832 5.9412 4.8949 3.6867 4.0528 3.4456 1.2180 4.4126 4.0092 3.2749 5.3538 3.3719 3.9638 5.6090 6.4116 3.3148 3.0633 3.3511 2.9239 1.3569 3.3608 4.1580 4.7409 3.6779 2.1038 2.5170 1.8953 4.1983 5.2754 2.1263 2.2944 2.7439 2.9794 2.8880 5.3282 4.1724 4.1092 5.2884 5.2901 5.2162 5.9207 3.8624 1.5961 3.2704 3.6611 2.6059 1.6034 3.0490 1.5049 5.3047 3.7317 2.5351 3.4546 1.4525 2.7241 2.3642 1.3487 3.2628 1.5865 1.3757 1.3129 3.3383 3.2510 3.6636 1.3903 2.3338 3.3910 2.8743 2.3231 5.1208 2.2421 1.4667 1.8864 1.1531 1.2257 4.4378 1.5822 1.6384 1.5743 1.6423 1.6412 1.8852 1.4779 1.6950 2.6180 1.2805 1.4814 1.8244 1.2414 2.5787 1.3555 1.4249 2.6124 2.1219 1.0572 1.0555 1.6930 1.2551 1.5548 1.8277 1.2489 2.0173 1.8703 2.2119 5.3824 4.5219 5.0993 5.2964 6.0774 8.7922 1.0660 1.0315 1.0637 1.0636 1.1025 1.1006 1.1045 1.1057 1.0905 1.1087 1.0893 1.0905 1.0960 1.0900 1.0979 1.0929 1.0997 1.0773 1.0789 1.0818 1.0791 0.0005 0.0014 0.0018 0.0026 0.0060 0.0096 0.0171 0.0311 0.0304 0.0318 0.0601 0.0877 0.1034 0.0839 0.1109 0.1095 0.0400 0.1688 0.1762 0.1650 0.2896 0.2113 0.2746 0.4032 0.5752 0.3288 0.3249 0.4196 0.3852 0.1795 0.4789 0.6360 0.7807 0.6264 0.3607 0.4508 0.3485 0.8056 1.0469 0.4386 0.5034 0.6283 0.6919 0.6905 1.5246 1.2735 1.2860 1.9405 1.9806 1.9822 2.3844 1.5793 0.6846 1.4215 1.6515 1.2180 0.8164 1.5865 0.8004 2.8660 2.1016 1.5071 2.0732 0.9465 1.7907 1.5678 0.9193 2.3135 1.1301 0.9851 0.9689 2.5066 2.5057 2.8440 1.0960 1.8428 2.7051 2.3270 2.1183 4.7659 2.0990 1.3875 1.8011 1.1460 1.2331 4.5499 1.6530 1.7988 1.7559 1.8641 1.9348 2.2313 1.7655 2.0734 3.2517 1.6268 1.9653 2.4255 1.7189 3.5882 1.9290 2.0380 3.7640 3.1162 1.5815 1.5794 2.5434 1.9279 2.4068 2.8632 1.9962 3.2574 3.0221 3.7812 9.5927 8.3325 9.4231 9.9503 12.2435 18.5070 6.6136 6.4165 6.6461 6.6608 7.0714 7.1197 7.1545 7.3008 7.2071 7.3773 7.2993 7.3805 7.4284 7.4271 7.5182 7.4936 7.5710 9.1535 9.3962 9.5654 9.6738 0.4083 0.8524 1.4675 0.9709 3.9354 4.1733 13.5562 4.9100 1.5009 3.8787 3.8246 0.5985 9.7552 6.2264 3.3332 1.1527 0.3087 1.9754 6.9547 12.0924 14.9179 1.1933 1.7786 8.2339 13.0016 16.1486 12.2640 9.9394 5.8344 77.9021 10.5426 18.8118 52.2988 23.8120 13.6471 102.0274 18.2410 84.2822 11.4950 26.2290 136.6893 42.1983 54.3365 47.7260 24.7077 11.9121 2.4589 32.0217 6.6281 14.4040 34.4199 6.2067 37.1186 123.0501 10.2438 5.4873 23.5337 14.9037 9.4194 10.6021 13.9793 13.8649 302.8043 7.5907 17.7123 1.4398 0.8045 12.0698 193.2644 15.6013 0.1617 5.2146 30.5038 127.9666 2.2674 17.6607 9.8037 92.6903 17.6891 109.3114 68.0307 102.0775 30.6303 15.4157 4.4353 54.0039 36.0600 28.2340 295.1078 267.7031 66.7055 49.2168 19.5001 163.2133 159.3802 42.7621 100.3653 29.5583 22.9001 73.3547 6.3177 208.4062 63.1091 20.3183 11.9773 21.2067 22.8626 89.0368 103.6024 208.6676 19.3558 265.6562 201.9833 204.7367 1.3719 268.8534 83.2580 154.8007 574.2814 352.3892 28.3356 0.5220 6.5897 11.6989 7.6180 11.0549 18.2077 0.6623 11.1731 0.5662 13.8459 2.3244 8.1594 0.0127 0.8386 0.0987 1.8039 54.6619 157.9409 182.6995 51.9561 3.0383 2.3324 1.0532 1.5248 0.3787 3.8914 2.6151 0.8565 2.9005 2.3326 2.3801 2.0167 1.0779 1.5266 0.7774 1.5329 0.2411 0.8730 0.7654 2.3234 1.3137 0.8046 0.3169 4.5007 1.3895 1.0186 2.0964 0.7929 1.9086 2.3605 1.1802 3.1442 16.2166 3.0606 0.9984 0.6164 3.3988 3.2772 8.0924 3.9049 10.7410 6.7412 1.7994 4.3279 6.8925 5.0707 2.3671 15.6465 1.1676 1.6036 16.8292 4.4734 8.7205 1.2640 4.8209 28.0231 1.3378 1.1449 1.3605 4.6379 18.3879 17.1818 17.6685 2.1252 12.7970 5.4782 0.7726 36.2793 2.6546 4.8502 4.9706 8.7443 4.9188 3.6758 3.3556 1.9185 1.1837 4.1190 32.1674 4.0223 0.7823 43.5507 10.1026 19.9029 4.2114 4.0247 25.7410 3.0122 163.2366 57.4032 9.5457 130.1423 21.3343 35.8879 7.9128 4.0262 2.8460 7.2063 0.1408 146.3330 15.2080 71.9931 40.3830 94.5496 13.7507 12.6928 36.7287 8.4661 135.0531 7.2046 12.8345 20.7441 47.6607 7.7419 83.7074 69.2696 73.7042 353.6934 106.5686 126.7457 50.9290 121.0302 97.9129 194.6146 71.5682 126.3220 68.1491 91.8997 90.6464 54.6954 50.9275 68.7686 119.2020 82.5245 125.4436 45.1975 225.5209 30.0744 130.6925 87.7359 50.4952 0.7483 0.7086 0.7369 0.7454 0.7453 0.7417 0.7079 0.4068 0.7471 0.5955 0.6412 0.7263 0.7013 0.6769 0.2367 0.1798 0.3795 0.3469 0.7207 0.6652 0.7127 0.5996 0.1173 0.6937 0.6528 0.7336 0.5308 0.7320 0.4054 0.1605 0.5558 0.6815 0.1881 0.7454 0.3633 0.4164 0.4710 0.4418 0.3847 0.3938 0.2271 0.3919 0.4347 0.6347 0.6540 0.7498 0.2360 0.1263 0.7450 0.6937 0.1352 0.7400 0.7442 0.6092 0.3910 0.1244 0.6537 0.5136 0.7485 0.7263 0.1313 0.2467 0.4591 0.5052 0.6392 0.2601 0.6451 0.2907 0.2641 0.7144 0.7012 0.6123 0.3358 0.2787 0.7495 0.5323 0.7176 0.6839 0.3999 0.2689 0.1765 0.2147 0.4917 0.2285 0.4912 0.4190 0.7295 0.1621 0.3275 0.2852 0.6770 0.2565 0.2055 0.3461 0.2279 0.5653 0.6731 0.5117 0.7375 0.1838 0.6151 0.3770 0.3603 0.2783 0.7440 0.7259 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-0.00114 1.00000 1 0.02566 0.00198 0.00194 0.53473 0.04134 0.04045 16.56 26.98 35.09 39.00 59.80 72.73 101.35 134.13 150.01 159.32 210.09 227.77 272.48 282.75 310.11 334.22 339.85 366.56 392.91 420.75 435.92 469.20 493.32 502.54 561.42 590.33 610.42 663.28 680.33 681.80 707.56 733.06 760.62 773.58 776.12 793.22 803.75 821.08 835.02 851.26 878.03 896.96 903.25 916.53 1002.66 1035.57 1048.60 1135.44 1146.93 1155.49 1189.52 1198.59 1227.61 1235.76 1258.95 1281.47 1337.55 1352.10 1366.95 1377.77 1406.67 1445.22 1452.06 1513.14 1519.71 1526.39 1547.48 1578.36 1582.00 1586.13 1610.25 1624.23 1645.60 1651.50 1664.24 1665.64 1674.16 1686.55 1789.88 1808.32 1813.61 1823.08 1831.54 1868.62 1880.07 1897.96 1915.94 1964.01 1979.62 1996.95 2035.17 2039.25 2048.72 2073.13 2089.02 2112.72 2158.96 2161.26 2205.64 2211.12 2236.03 2241.73 2249.94 2271.49 2292.50 2292.83 2297.43 2323.12 2332.12 2346.09 2369.83 2381.85 2382.66 2450.74 2502.37 2544.45 2548.08 2569.19 2660.48 2719.49 4668.90 4675.02 4685.35 4690.83 4747.17 4767.43 4770.56 4816.66 4818.77 4835.14 4852.26 4876.38 4879.98 4892.78 4905.00 4908.22 4918.18 5463.85 5531.69 5573.84 5612.13 0.418698 0.442672 0.443616 0.360793 -1968.462758 -1968.438783 -1968.437839 -1968.520662 2.777897D-04 MUNgauss RevisionA2.0 retrievium 31-Jul-2020 DUDE CS(=O)(=O)N[C@H]1Nc2ccc(cc2S1)C(=O)NCCC3=c4ccccc4=[NH+]C3 C63280863 RHF 6-31G(d) (6D,10F) C1 417.105509 |X|Y|Z| 36.510978 27.831001 149.981116 53.414966 22 6 7 16 18 3 1 |36.858105| |10.785627|388.023441| |7.343209|94.361613|73.516695| |7.318342|94.846296|13.593933|73.516695| |7.051665|81.965676|13.582141|13.702327|53.358707| |5.168895|50.306565|12.018774|9.093454|17.784062|36.858105| |5.493072|46.927715|12.265036|8.120551|12.592609|17.704386|0.500000| |4.114232|41.574989|11.632031|8.283140|10.575895|13.229292|0.255607|53.358707| |3.303677|31.422720|8.160743|6.973133|7.924493|8.020058|0.165481|18.976662|36.858105| |2.785515|25.875825|6.868134|6.092119|5.843711|5.155715|0.118202|10.526867|13.733635|36.858105| |2.383293|21.135510|5.418756|5.120438|4.762054|4.024592|0.094964|7.038751|7.988928|13.768628|36.858105| |2.312389|19.928060|4.941393|4.814458|4.661955|3.932154|0.092653|6.267398|6.855040|7.867737|13.693798|36.858105| |2.591305|22.227113|5.375353|5.234291|5.556623|4.857867|0.110998|7.223843|7.903394|6.806560|7.911372|13.605518|36.858105| |3.129377|27.903276|6.769751|6.271445|7.533756|7.419633|0.154798|11.232094|13.618100|7.899545|6.925816|7.971907|13.925114|36.858105| |3.766579|31.668058|7.310535|6.659482|9.636826|10.425331|0.219581|9.987987|7.273338|4.826713|4.223294|4.653034|6.729201|10.737867|388.023441| |1.982515|16.536917|4.073167|4.062522|3.750651|3.046953|0.074360|4.617659|4.471634|5.015706|7.530738|12.853408|7.733896|5.115155|25.590649|36.858105| |1.912126|15.639838|3.784946|3.858810|3.566767|2.843652|0.069909|4.119784|3.816269|3.992438|5.276049|8.055025|6.786598|4.570478|24.681766|15.713039|73.516695| |1.792159|14.850766|3.719202|3.669351|3.255140|2.623122|0.065348|4.032096|3.755245|4.441916|6.539787|7.812548|5.186574|3.959575|20.930983|14.005557|15.233002|53.358707| |1.590716|12.905843|3.216450|3.205011|2.790461|2.213478|0.056073|3.307705|2.940301|3.323457|4.373747|5.054232|3.922798|3.124766|17.654420|7.876084|12.673352|17.964253|36.858105| |1.538185|12.427052|3.053230|3.140634|2.667406|2.060652|0.052057|3.026928|2.643932|2.939089|3.723068|4.237833|3.460298|2.812868|16.310808|6.108672|11.249514|10.407921|12.233673|36.858105| |1.450545|11.523536|2.808508|2.906147|2.478062|1.903241|0.048477|2.730571|2.337685|2.504711|3.041357|3.526857|3.092385|2.539915|15.292137|4.821997|10.000985|7.122554|7.486631|12.730927|36.858105| |1.315711|10.335870|2.524913|2.609128|2.194811|1.676763|0.043161|2.390732|2.006179|2.135221|2.518067|2.827398|2.540636|2.153731|13.306508|3.611780|7.193530|5.355038|5.328646|7.397152|14.026728|36.858105| |1.222974|9.586017|2.357744|2.424915|2.008017|1.530724|0.039644|2.194440|1.822526|1.956985|2.279145|2.473074|2.212478|1.917915|11.919260|3.044335|5.755585|4.657174|4.513485|5.812870|7.423257|13.203097|36.858105| |1.132790|8.795505|2.162004|2.223847|1.831870|1.391219|0.036273|1.978719|1.622318|1.723098|1.968155|2.121201|1.937705|1.705388|10.794937|2.533348|4.795149|3.775434|3.468045|4.144003|5.132538|7.952775|14.201517|36.858105| |1.113147|8.576834|2.097333|2.164485|1.792611|1.358361|0.035503|1.910965|1.558222|1.630864|1.845608|2.012810|1.877706|1.655607|10.630768|2.383531|4.614691|3.436335|3.074317|3.588393|4.644602|6.879228|7.865925|13.169764|36.858105| |1.172953|9.029249|2.195616|2.274517|1.904581|1.443875|0.037635|2.017651|1.651268|1.712181|1.943175|2.160700|2.038554|1.779579|11.457819|2.584964|5.159656|3.632754|3.238194|3.797709|5.283383|7.650865|6.612686|7.711963|14.066906|36.858105| |1.281946|9.958889|2.417343|2.508042|2.121477|1.614774|0.041753|2.266548|1.881601|1.959745|2.265985|2.571131|2.397040|2.047058|12.951146|3.191090|6.564097|4.471650|4.125246|5.099908|8.409392|13.201738|7.647065|6.815730|8.072202|13.434827|36.858105| |1.375426|10.687688|2.575935|2.684382|2.306670|1.757650|0.045230|2.446045|2.042315|2.098574|2.432541|2.841256|2.700483|2.268951|14.380644|3.565380|7.766588|4.746505|4.227296|5.084178|8.271656|8.452985|5.296824|4.658122|5.259894|7.718969|14.518780|53.358707| |1.361362|10.487119|2.516482|2.628457|2.267411|1.722518|0.044500|2.369221|1.959631|1.984352|2.264052|2.643713|2.581458|2.192834|14.186435|3.214986|6.993863|4.177810|3.563029|4.076478|5.825117|5.923232|4.236624|3.951748|4.643428|6.815336|9.282992|26.017981|0.500000| |1.512847|11.932671|2.875713|2.996537|2.605591|1.998645|0.050807|2.811161|2.401610|2.493071|2.980248|3.603453|3.333551|2.697211|16.522869|4.854047|11.401150|6.310838|5.720397|7.250752|12.711415|8.209120|5.078411|4.101231|4.149891|5.191130|8.359353|17.891211|0.243908|36.858105| |17.632712|57.522292|12.115388|9.667503|8.942570|5.441187|0.176920|5.702064|3.308277|2.751690|2.354203|2.298462|2.600412|3.165630|28.146034|1.968985|3.377294|2.421278|1.580515|1.514949|1.432837|1.300919|1.208420|1.120695|1.103124|1.163460|1.270397|1.857088|0.037582|1.498010|0.500000| |17.643116|57.659572|9.688468|12.119548|8.950250|4.676862|0.132262|5.022005|3.096667|2.622307|2.293085|2.265162|2.558111|3.036565|26.321917|1.963153|3.408507|2.401189|1.575483|1.536751|1.459651|1.324880|1.227239|1.138710|1.123640|1.188110|1.297923|1.902905|0.038594|1.533447|0.297280|0.500000| |17.613330|58.210695|11.870255|11.774546|7.146259|4.153531|0.122293|4.840881|2.914050|2.538903|2.186264|2.099214|2.302651|2.721606|22.302275|1.820178|3.113909|2.268761|1.488519|1.443624|1.360548|1.241143|1.161016|1.078492|1.058024|1.109850|1.207409|1.752447|0.035357|1.409248|0.298705|0.298135|0.500000| |5.689977|61.148007|10.539088|13.817208|25.888609|9.092550|0.180639|9.140090|5.820916|4.410014|3.693090|3.674373|4.400991|5.790927|48.210158|2.954702|5.031737|3.443240|2.161481|2.092317|1.940698|1.707620|1.553618|1.412029|1.381723|1.472721|1.649250|2.452376|0.049132|2.049633|0.141854|0.160209|0.125086|0.500000| |4.248966|45.063803|14.645173|8.920143|9.453997|9.134127|0.213112|25.984656|9.197441|6.944652|4.647917|3.968200|4.285713|5.889075|38.197928|3.034031|4.806030|3.720471|2.266700|2.089638|1.878769|1.658837|1.538115|1.391054|1.338501|1.403704|1.567153|2.280670|0.045005|1.911354|0.118039|0.102551|0.105075|0.165449|0.500000| |2.748196|25.718499|7.135624|6.110532|5.408746|4.601374|0.109894|9.396693|8.887969|17.733600|8.897988|5.612632|4.918835|5.619990|28.468974|4.080803|5.929037|5.244079|2.990017|2.677403|2.283422|1.978712|1.843422|1.632550|1.537979|1.599207|1.811166|2.605425|0.050285|2.239192|0.074959|0.070847|0.070907|0.111071|0.200203|0.500000| |2.154907|18.835676|4.868228|4.645346|4.074331|3.336762|0.081025|5.682646|5.689875|9.023109|17.724225|8.869257|5.621987|4.980629|24.266566|6.874107|8.587458|9.808901|4.740693|3.998582|3.138839|2.608839|2.401586|2.055546|1.897244|1.972670|2.297065|3.291668|0.061813|2.954051|0.058882|0.057617|0.055729|0.087414|0.109723|0.217496|0.500000| |2.437035|20.171632|4.797145|4.778379|5.009254|4.229474|0.099916|5.838438|5.620441|4.920502|5.640749|8.898273|17.754999|8.932488|44.294516|7.228469|13.553543|6.550051|3.883996|3.490187|3.253650|2.662731|2.275007|2.000231|1.965468|2.167521|2.566908|4.038880|0.079794|3.681144|0.068214|0.067899|0.060158|0.110471|0.098822|0.106998|0.123818|0.500000| |1.800499|15.005804|3.822965|3.684439|3.251482|2.650751|0.066429|4.180565|3.895741|4.838302|7.243769|7.333903|4.857260|3.911627|20.572217|9.355937|10.949633|26.099724|9.080872|5.818201|4.220779|3.380816|3.068824|2.537986|2.300141|2.391665|2.858122|4.051047|0.073948|3.752962|0.049763|0.048786|0.046701|0.069351|0.079601|0.119094|0.246894|0.120105|0.500000| |1.560060|12.516083|3.112813|3.080888|2.725217|2.176795|0.055543|3.203712|2.820065|3.082678|3.929012|4.713966|3.883281|3.073904|17.733585|7.169391|13.036014|12.467456|17.586742|8.713994|7.476962|5.462164|4.433476|3.496637|3.199130|3.455815|4.456326|6.392919|0.110142|6.340477|0.043331|0.043021|0.040439|0.058321|0.060493|0.076529|0.112712|0.111055|0.193546|0.500000| |1.504410|12.166631|3.063708|3.019270|2.590978|2.055685|0.052588|3.093807|2.705049|3.095357|3.963502|4.260137|3.366498|2.794465|16.035951|5.800881|9.118204|12.657538|17.629090|8.792068|5.975941|4.845358|4.510730|3.488661|3.002456|3.050134|3.723766|4.954554|0.086485|4.525495|0.041569|0.041195|0.039355|0.055264|0.059662|0.079485|0.123734|0.091022|0.235844|0.303769|0.500000| |1.456019|11.741046|2.899737|2.983600|2.480706|1.903938|0.048387|2.808105|2.417076|2.713795|3.361295|3.620608|2.984733|2.509636|14.743103|4.782649|8.382632|8.300497|8.731284|17.604812|8.987989|6.988696|6.498825|4.468430|3.648161|3.663778|4.657430|5.893193|0.098448|5.452695|0.039740|0.040316|0.038215|0.053838|0.054545|0.070296|0.103090|0.082244|0.143319|0.179300|0.230602|0.500000| |1.648793|13.454294|3.276025|3.431198|2.906203|2.223807|0.055503|3.267772|2.887482|3.218779|4.130261|4.765625|3.840380|3.084716|17.610049|6.872431|12.716219|10.467808|8.813234|17.619558|9.070012|5.781776|4.644438|3.533398|3.164494|3.392543|4.447502|6.370855|0.107830|6.805396|0.044827|0.045896|0.042848|0.064144|0.062479|0.080586|0.121996|0.106737|0.159898|0.185868|0.181402|0.303689|0.500000| |1.232454|9.715659|2.402423|2.461577|2.024833|1.545613|0.039993|2.237549|1.862926|2.029126|2.375870|2.530131|2.223171|1.935064|11.908484|3.101508|5.669148|4.918787|4.794520|6.150180|6.562662|8.708625|17.748054|9.033882|5.589027|4.817687|5.497756|5.839577|0.098145|4.426354|0.033781|0.034222|0.032573|0.043468|0.043778|0.053478|0.070822|0.062508|0.091458|0.123858|0.140510|0.216909|0.134130|0.500000| |1.077853|8.353311|2.060610|2.113821|1.726944|1.309745|0.034269|1.866540|1.520791|1.619551|1.834461|1.947698|1.779570|1.583778|10.064471|2.284816|4.247118|3.424074|3.075145|3.562844|4.101722|5.625600|9.045537|17.756156|8.769923|5.588198|4.927652|5.022628|0.089960|3.354744|0.029613|0.030042|0.028609|0.036860|0.036644|0.042978|0.053506|0.050613|0.065126|0.084996|0.088098|0.109246|0.085905|0.215790|0.500000| |1.049096|8.038078|1.967013|2.028228|1.671228|1.263425|0.033170|1.771632|1.432965|1.493761|1.672159|1.808684|1.701202|1.516611|9.835904|2.102857|4.035140|3.013976|2.631701|2.989263|3.680481|4.956627|5.656798|8.798246|17.722571|9.095751|5.700343|5.715844|0.108508|3.396466|0.028897|0.029427|0.027770|0.035675|0.034576|0.039327|0.047661|0.049355|0.056763|0.075881|0.072112|0.084803|0.074694|0.124081|0.215612|0.500000| |1.145653|8.756510|2.122993|2.202717|1.847284|1.396990|0.036539|1.936083|1.573277|1.614597|1.812760|2.017884|1.936010|1.702785|11.119041|2.373102|4.755820|3.271425|2.831722|3.224706|4.288401|5.493501|4.818181|5.522110|8.950579|17.752591|8.750663|9.235871|0.192679|4.538301|0.031610|0.032328|0.030106|0.039623|0.037385|0.041889|0.050668|0.057575|0.060235|0.084492|0.073907|0.085575|0.082239|0.105262|0.123174|0.216827|0.500000| 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