Version2.2 2021-02-26T08:31:29Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 17-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccn(c1)[C@@H]2Nc3ccc(cc3S2)C(=O)NCCC4=c5cc(ccc5=[NH+]C4)Cl C63272451 RHF 6-31G(d) (6D,7F) c1ccn(c1)[C@@H]2Nc3ccc(cc3S2)C(=O)NCCC4=c5cc(ccc5=[NH+]C4)Cl C01[X(C22H20Cl1N4O1S1)] 141 C1 483 Clc1ccc2=[NH+]CC(=c2c1)CCNC(=O)c1ccc2c(c1)S[C@@H](N2)n1cccc1 Clc1ccc2=[NH+]CC(=c2c1)CCNC(=O)c1ccc2c(c1)S[C@@H](N2)n1cccc1 ClC1=CC2=C(CCNC(=O)c3ccc4N[C@H](Sc4c3)n5cccc5)C[NH+]=C2C=C1 InChIKey=UOGPGFVKXROWLZ-QFIPXVFZSA-O InChI=1S/C22H19ClN4OS/c23-16-4-6-18-17(12-16)15(13-25-18)7-8-24-21(28)14-3-5-19-20(11-14)29-22(26-19)27-9-1-2-10-27/h1-6,9-12,22,26H,7-8,13H2,(H,24,28)/p+1/t22-/m0/s1 InChI=1/C22H19ClN4OS/c23-16-4-6-18-17(12-16)15(13-25-18)7-8-24-21(28)14-3-5-19-20(11-14)29-22(26-19)27-9-1-2-10-27/h1-6,9-12,22,26H,7-8,13H2,(H,24,28)/p+1/t22-/m0/s1/fC22H20ClN4OS/h24-25H/q+1 c1ccn(c1)[C@@H]2Nc3ccc(cc3S2)C(=O)NCCC4=c5cc(ccc5=[NH+]C4)Cl C01[X(C22H20Cl1N4O1S1)] 141 C01 483 Clc1ccc2=[NH+]CC(=c2c1)CCNC(=O)c1ccc2c(c1)S[C@@H](N2)n1cccc1 Cl[C]1[CH]=[CH][C]2[C]([CH]=1)=C(CCNC(=O)[C]1[CH][CH][C]3[C]([CH]1)S[C@@H](N3)N1C=[CH][CH]=C1)C[NH]2 ClC1=CC2=C(CCNC(=O)[C]3[CH][CH][C]4N[C@H](S[C]4[CH]3)n5cccc5)CN[C]2C=C1 InChIKey=PPWHJJOONLDASU-QFIPXVFZSA-N InChI=1S/C22H20ClN4OS/c23-16-4-6-18-17(12-16)15(13-25-18)7-8-24-21(28)14-3-5-19-20(11-14)29-22(26-19)27-9-1-2-10-27/h1-6,9-12,22,25-26H,7-8,13H2,(H,24,28)/t22-/m0/s1 InChI=1/C22H20ClN4OS/c23-16-4-6-18-17(12-16)15(13-25-18)7-8-24-21(28)14-3-5-19-20(11-14)29-22(26-19)27-9-1-2-10-27/h1-6,9-12,22,25-26H,7-8,13H2,(H,24,28)/t22-/m0/s1/f/h24H 2723.2047854290 -1994.1904424 1-A 26469.2085 110 373 483 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.94586 -92.02543 -20.63069 -15.77479 -15.69356 -15.67112 -15.66752 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479.2955 512.2110 514.5540 534.6153 557.2280 561.0688 564.7824 612.6059 618.4732 646.3189 648.3214 670.4636 680.2085 686.9086 714.0046 753.0770 791.6963 799.9928 804.0809 817.8649 822.6090 825.1484 832.7766 858.1288 868.8081 890.2319 924.0591 926.4960 939.9065 951.7166 978.0797 979.6120 980.5772 1001.5285 1016.0501 1017.1474 1048.9105 1058.0384 1063.6536 1069.4487 1096.4671 1118.0136 1129.1338 1139.6969 1142.1546 1157.0488 1166.9623 1175.5130 1177.8016 1206.6813 1208.3369 1253.7717 1262.8047 1272.6237 1275.0477 1302.5814 1321.0381 1330.2701 1360.7660 1374.1173 1382.5944 1386.4561 1404.3997 1412.2710 1420.9182 1432.0918 1441.7430 1447.7298 1455.6648 1470.1171 1522.1482 1552.5893 1555.0067 1558.7554 1564.0186 1575.4084 1585.8400 1594.2369 1621.6747 1625.6089 1647.3692 1652.3331 1657.4143 1665.9858 1703.1993 1731.4099 1741.7452 1767.8834 1771.8543 1785.0406 1851.5403 1888.8952 3244.3134 3257.7055 3260.8409 3300.3395 3314.6889 3316.1888 3323.9848 3370.7109 3389.0900 3401.8977 3412.9116 3416.2953 3419.4031 3423.3997 3434.2763 3450.6133 3459.1303 3842.4140 3870.1747 3901.9772 8.2866 6.2723 6.0992 4.0829 5.1286 7.5711 6.8270 6.4397 5.0264 5.3302 6.0962 5.6629 4.2584 5.6448 4.4319 4.1042 4.4715 4.1184 2.8443 4.6702 5.9195 4.3860 4.3520 4.9839 11.4404 3.6830 2.5813 3.1744 1.3316 3.1833 2.7299 2.7978 5.8648 2.2682 2.6626 1.9744 3.0797 4.2292 3.2544 4.5837 3.1224 3.5717 3.9339 5.3064 5.2450 5.0134 6.2209 1.2926 5.4283 3.8697 4.8185 1.1979 4.7773 4.6613 2.4223 1.6405 1.6460 2.9546 5.4998 1.3275 3.9560 4.2460 2.4790 1.4848 1.3558 1.4317 2.4895 2.4717 1.3554 3.3037 3.1155 2.1440 2.4328 1.3543 2.3498 3.2241 4.2468 2.6846 1.4141 1.3028 2.3390 1.7258 1.6048 1.9670 1.1376 4.2174 1.5715 1.6578 1.7767 1.5874 1.7019 2.4154 1.8318 1.5404 1.5406 1.5677 1.5855 1.9221 1.3070 2.6666 1.3912 1.4246 2.3527 3.9387 2.9779 1.6725 1.6530 1.5340 2.0142 1.2424 2.3712 1.6284 2.8651 2.1978 6.3276 4.2257 4.7900 5.1026 5.2722 6.5808 8.7637 1.0664 1.0632 1.0638 1.1023 1.1010 1.1043 1.0886 1.0891 1.0960 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7.4998 7.5554 7.5432 7.5225 7.5982 7.7437 7.8001 9.3778 9.5478 9.6806 1.0154 1.8357 1.8088 0.8180 1.9745 2.2529 1.1357 7.8173 2.7382 6.5543 3.8440 0.9674 2.3092 3.3781 1.7323 1.2295 4.4995 14.9140 3.9138 3.5385 10.7235 2.9297 13.6291 4.1664 11.4506 30.0422 8.2829 31.0053 54.4936 32.0908 36.8764 148.9434 10.8904 3.8966 23.5087 48.1926 32.2576 4.2780 19.8256 24.7840 5.7045 15.2987 17.8079 6.8565 22.1905 12.9972 35.8116 2.3179 24.8689 7.0170 27.1639 86.8685 64.2405 24.8824 19.3060 58.2284 27.2831 10.5419 2.0556 0.7393 20.9327 10.1510 19.6643 6.1714 0.0989 9.6483 30.1467 1.3737 1.1681 14.7057 19.6796 15.2426 7.9052 0.5828 17.0394 11.6868 76.8695 17.5911 125.9223 36.1343 4.0657 67.2855 49.7851 33.9160 19.4631 30.1360 20.3108 86.5500 486.3938 11.7232 174.8465 95.8259 89.5772 151.8607 33.1809 46.0275 202.0747 20.4398 24.2131 49.5812 16.6132 212.1620 120.0439 9.0573 47.9929 11.2327 104.2242 98.1651 197.1982 21.8469 299.4169 108.5520 66.3852 231.2883 11.5960 4.7902 352.6815 100.1864 123.9565 393.2309 371.2934 27.0624 6.7162 15.7792 6.9882 13.2810 19.0853 15.7725 13.8567 10.7365 0.2351 0.1224 0.3875 1.2383 2.8140 4.4274 6.8912 1.1929 70.8496 197.5044 50.5600 1.9353 1.9389 1.1708 2.8888 3.2242 3.5958 2.7490 5.6206 5.6976 2.0736 3.3686 0.2857 0.5381 0.6579 2.0644 0.9329 1.4181 2.4166 1.7606 1.0378 2.7387 2.5330 2.4820 1.7656 8.7413 1.4192 5.7822 0.6573 1.7025 1.3922 2.9472 16.7772 4.1638 1.6645 4.0224 2.7898 8.0996 1.2917 2.6554 14.6025 0.7179 1.0982 2.0903 1.5743 11.4046 2.4294 10.8407 1.0824 1.2586 3.9788 2.5681 2.5277 4.1717 8.6527 40.4819 3.9357 1.0618 0.8607 4.2685 2.0882 14.7174 3.4851 17.1171 6.1936 1.5944 3.4414 10.2673 7.2833 0.8480 44.5309 5.1830 13.3824 8.2517 2.2894 3.6214 0.4514 17.9713 7.3667 7.5119 7.3046 17.6204 15.7476 23.4922 10.7557 8.6703 1.6236 19.6271 5.4756 249.2286 2.4472 26.1708 24.8195 170.2003 18.7636 8.5967 58.2967 7.5370 4.3420 5.4301 67.6126 12.7031 39.2723 41.6948 42.3478 268.9084 12.8302 7.1399 188.1797 6.7232 13.9139 4.6469 75.9186 16.0604 7.9514 65.1572 0.4149 31.5104 120.5526 331.1627 174.5600 131.6318 48.6177 58.7616 258.7261 72.3101 134.2717 74.9905 85.7629 51.8543 128.3384 61.3249 43.9176 178.1478 50.0870 98.8367 63.8772 76.0281 149.5677 134.0490 90.1749 49.7175 0.7415 0.7499 0.6766 0.7493 0.7473 0.7076 0.7094 0.7441 0.7475 0.6702 0.7233 0.7067 0.7481 0.5190 0.2762 0.7058 0.1636 0.6124 0.4360 0.6481 0.5043 0.6910 0.4731 0.2003 0.3919 0.7363 0.2615 0.7471 0.2571 0.5372 0.7500 0.3753 0.1037 0.6196 0.7000 0.1460 0.3222 0.3818 0.4909 0.4860 0.6838 0.4051 0.3868 0.5304 0.4162 0.1480 0.2050 0.7359 0.7498 0.7491 0.2935 0.7054 0.5591 0.1276 0.2484 0.6521 0.5665 0.5099 0.7065 0.4462 0.2286 0.2567 0.2250 0.5996 0.7497 0.3383 0.2027 0.2601 0.4258 0.3040 0.6152 0.1701 0.6136 0.7500 0.7485 0.4811 0.5935 0.6254 0.5823 0.6840 0.3718 0.2680 0.1829 0.4716 0.4747 0.5619 0.7299 0.4243 0.2886 0.7370 0.2344 0.6112 0.2171 0.1855 0.7015 0.3620 0.3186 0.5976 0.4063 0.3016 0.7499 0.4503 0.3898 0.3225 0.2820 0.7459 0.6632 0.2479 0.3418 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0.02607 0.00181 0.00176 0.54323 0.03772 0.03667 12.99 24.39 36.33 40.52 45.72 68.58 117.62 120.74 137.16 172.01 187.89 210.99 274.19 285.94 306.95 337.74 354.89 388.78 426.42 461.09 484.37 498.14 507.28 527.20 561.79 602.27 627.23 674.26 678.39 689.60 736.96 740.33 769.19 801.73 807.25 812.60 881.40 889.85 929.91 932.79 964.65 978.67 988.31 1027.29 1083.51 1139.07 1151.01 1156.89 1176.73 1183.55 1187.20 1198.18 1234.66 1250.02 1280.85 1329.51 1333.02 1352.32 1369.31 1407.24 1409.44 1410.83 1440.98 1461.87 1463.45 1509.15 1522.28 1530.36 1538.70 1577.57 1608.57 1624.57 1639.77 1643.31 1664.74 1679.00 1691.30 1694.59 1736.15 1738.53 1803.90 1816.89 1831.02 1834.51 1874.12 1900.68 1913.96 1957.84 1977.05 1989.24 1994.80 2020.62 2031.94 2044.38 2060.46 2074.35 2082.96 2094.38 2115.17 2190.03 2233.83 2237.31 2242.70 2250.27 2266.66 2281.67 2293.75 2333.23 2338.89 2370.20 2377.34 2384.65 2396.98 2450.52 2491.11 2505.98 2543.59 2549.30 2568.28 2663.95 2717.70 4667.84 4687.11 4691.62 4748.45 4769.10 4771.26 4782.47 4849.70 4876.14 4894.57 4910.42 4915.29 4919.76 4925.51 4941.16 4964.66 4976.92 5528.38 5568.32 5614.07 0.415881 0.439348 0.440292 0.357657 -1993.774562 -1993.751094 -1993.750150 -1993.832786 2.771625D-04 MUNgauss RevisionA2.1 retrievium 26-Feb-2021 DUDE c1ccn(c1)[C@@H]2Nc3ccc(cc3S2)C(=O)NCCC4=c5cc(ccc5=[NH+]C4)Cl C63272451 RHF 6-31G(d) (6D,10F) C1 423.104636 |X|Y|Z| 26.100469 37.504794 156.144767 53.467209 27 6 7 16 22 4 1 |36.858105| |13.328681|36.858105| |8.515651|14.087808|36.858105| |8.609125|8.598569|13.863129|53.358707| |14.082006|8.498976|8.548656|18.881131|36.858105| |5.288330|5.301713|7.668614|18.123860|7.593727|36.858105| |4.526485|4.971931|7.548890|12.816613|5.713722|17.679597|0.500000| |4.463143|4.242299|5.400838|10.788114|6.203186|13.162833|0.254213|53.358707| |3.883843|3.508539|4.131893|7.827466|5.318936|7.959714|0.165924|18.906939|36.858105| |3.291776|2.951829|3.308422|5.785440|4.211243|5.131705|0.118478|10.534689|13.740473|36.858105| |2.847703|2.540107|2.773920|4.690621|3.521135|4.004752|0.095204|7.033412|7.985159|13.761728|36.858105| |2.783117|2.480150|2.704752|4.569075|3.438396|3.912523|0.092992|6.260431|6.859236|7.874417|13.700771|36.858105| |3.116289|2.787012|3.107327|5.404831|3.969781|4.826516|0.111591|7.211296|7.914739|6.814510|7.912007|13.605237|36.858105| |3.728574|3.359521|3.921235|7.324086|5.056841|7.356532|0.155786|11.192440|13.626996|7.897671|6.914660|7.962076|13.917400|36.858105| |4.181194|3.982463|4.962412|9.360274|5.630847|10.330719|0.220692|9.939862|7.279350|4.830502|4.224521|4.657103|6.740943|10.776185|388.023441| |2.359632|2.118842|2.264161|3.679922|2.796390|3.034801|0.074627|4.613963|4.473596|5.016733|7.530408|12.853620|7.737541|5.113349|25.619439|36.858105| |2.207995|2.005197|2.142074|3.431122|2.581560|2.822811|0.070516|4.119867|3.819690|3.993015|5.274205|8.055723|6.794842|4.573888|24.745391|15.709813|73.516695| 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|1.350111|1.258349|1.301987|1.954190|1.473286|1.525123|0.039958|2.196927|1.824816|1.956761|2.278891|2.477290|2.219067|1.922214|11.964418|3.051929|5.784112|4.661043|4.517817|5.827284|7.432653|13.210576|36.858105| |1.245609|1.166148|1.202117|1.789318|1.347808|1.387807|0.036553|1.981761|1.625099|1.723730|1.968918|2.125736|1.944390|1.710113|10.841183|2.540446|4.819706|3.779795|3.472199|4.154335|5.144842|7.984267|14.228386|36.858105| |1.218936|1.144614|1.179528|1.749502|1.315165|1.355059|0.035790|1.913835|1.560730|1.631191|1.845547|2.015788|1.883412|1.659986|10.677328|2.387346|4.631886|3.435519|3.071012|3.587557|4.640949|6.874702|7.837740|13.141861|36.858105| |1.283894|1.205156|1.245583|1.853233|1.390773|1.440813|0.038009|2.022687|1.655656|1.714249|1.944925|2.165879|2.046892|1.786234|11.521813|2.591030|5.183192|3.634154|3.235378|3.798347|5.282172|7.657640|6.608777|7.734839|14.105201|36.858105| |1.409404|1.316749|1.367670|2.054978|1.542402|1.610567|0.042234|2.273616|1.887921|1.963274|2.269447|2.579715|2.409429|2.056429|13.034666|3.202186|6.606570|4.476300|4.122234|5.102432|8.414243|13.226802|7.642565|6.832202|8.060654|13.404336|36.858105| |1.509283|1.409454|1.471105|2.221991|1.662608|1.752722|0.045860|2.456064|2.051276|2.104187|2.438021|2.852992|2.717646|2.282083|14.494171|3.579064|7.821880|4.751355|4.220783|5.081316|8.268263|8.459212|5.297468|4.668376|5.259903|7.715600|14.545357|53.358707| |1.486333|1.393575|1.453830|2.185039|1.630573|1.719261|0.045166|2.380582|1.969551|1.990820|2.270143|2.655333|2.599196|2.207228|14.312993|3.226721|7.037618|4.181933|3.557793|4.074058|5.823001|5.925706|4.236128|3.958238|4.644061|6.810549|9.287793|26.008945|0.500000| |1.668561|1.548326|1.627048|2.492558|1.865107|1.989930|0.051586|2.823507|2.413204|2.500841|2.988814|3.622399|3.358120|2.714148|16.657644|4.881084|11.524293|6.323525|5.712247|7.243967|12.714385|8.213269|5.082215|4.109949|4.148792|5.189789|8.369416|17.882218|0.243788|36.858105| |1.146247|1.076314|1.105027|1.633587|1.231073|1.259310|0.033295|1.801468|1.462340|1.556477|1.753883|1.851012|1.695181|1.517176|9.681505|2.150862|3.973014|3.221159|2.853596|3.254211|3.635931|4.752071|7.102009|11.024134|7.011138|4.763936|4.221541|4.464069|0.081140|3.018625|448.794386| |17.787695|8.500738|5.820970|7.982939|8.809000|4.145322|0.100575|5.038269|3.381457|2.988613|2.657234|2.603853|2.852257|3.275245|25.048408|2.255213|3.755756|2.856974|1.863644|1.665037|1.569638|1.427199|1.331147|1.231560|1.204958|1.265718|1.384065|2.008159|0.040349|1.622152|9.127592|0.500000| |8.495533|17.792951|8.808263|7.976750|5.813413|4.158818|0.113043|4.721531|2.939125|2.543638|2.226742|2.177138|2.412574|2.830324|23.484550|1.895017|3.209750|2.386980|1.571943|1.448075|1.375456|1.258935|1.177108|1.096533|1.078313|1.132574|1.229774|1.784731|0.036098|1.428548|8.162256|0.195003|0.500000| |5.786373|8.643722|17.796335|12.172703|5.882538|6.935443|0.226516|6.765799|3.779492|3.056621|2.577112|2.515089|2.879408|3.599109|32.905221|2.124186|3.600956|2.611567|1.692146|1.582132|1.494412|1.352730|1.254386|1.161102|1.141256|1.204943|1.319504|1.931152|0.039035|1.563183|8.581531|0.122910|0.197560|0.500000| |8.649446|5.781651|5.881107|12.163099|17.811278|6.819376|0.139328|8.601179|6.145724|4.910088|4.151182|4.076352|4.703555|5.924614|41.308046|3.238903|5.218523|3.926860|2.432495|2.131040|1.967398|1.739974|1.596025|1.450057|1.409686|1.492854|1.668210|2.452734|0.048821|2.043874|10.578400|0.197802|0.122847|0.126187|0.500000| |4.557190|4.364682|5.413352|10.003640|6.038608|9.146704|0.206958|25.996638|9.294467|7.021476|4.685201|3.996677|4.313547|5.927852|38.217586|3.051072|4.817773|3.748569|2.281927|2.088464|1.881442|1.661089|1.539864|1.393378|1.340576|1.406863|1.571106|2.287349|0.045162|1.916522|10.254469|0.105535|0.099813|0.137743|0.165158|0.500000| |3.161826|2.872577|3.189100|5.385499|3.909798|4.585214|0.110053|9.419675|8.888310|17.729698|8.900296|5.616302|4.922657|5.619201|28.482542|4.081335|5.928706|5.240831|2.988291|2.672785|2.283910|1.977833|1.841664|1.631724|1.537098|1.599910|1.812865|2.610055|0.050404|2.243940|11.980328|0.080288|0.069494|0.082491|0.122054|0.201966|0.500000| |2.538986|2.279605|2.450032|4.014806|3.035782|3.321929|0.081248|5.682979|5.688575|9.019267|17.724318|8.865080|5.620439|4.974873|24.273574|6.866167|8.574292|9.796014|4.734717|3.983004|3.134535|2.603841|2.396825|2.052782|1.893975|1.971048|2.296043|3.292180|0.061854|2.955538|14.790123|0.066882|0.056323|0.063679|0.097428|0.110439|0.217581|0.500000| |2.900258|2.617041|2.885213|4.864646|3.582901|4.205514|0.100487|5.829551|5.626883|4.924740|5.641540|8.899043|17.757474|8.937812|44.392063|7.234061|13.578334|6.551660|3.887163|3.499182|3.273456|2.676772|2.284726|2.009806|1.974103|2.179515|2.584469|4.072545|0.080508|3.715980|13.896596|0.074524|0.063659|0.074844|0.115064|0.099319|0.107063|0.123785|0.500000| |2.249131|2.000802|2.093553|3.350452|2.608389|2.662923|0.065811|4.165717|3.888129|4.833415|7.241443|7.320580|4.848448|3.900257|20.525606|9.350790|10.948449|26.101695|9.081140|5.816063|4.222658|3.378796|3.068396|2.538360|2.297905|2.390955|2.858776|4.052627|0.073983|3.757686|17.859409|0.060857|0.050116|0.054264|0.083936|0.080556|0.119055|0.247656|0.119978|0.500000| |1.924003|1.731354|1.792181|2.795250|2.169478|2.187568|0.055149|3.196704|2.819062|3.082934|3.929156|4.710781|3.881100|3.070521|17.717172|7.160334|13.017150|12.464596|17.585433|8.711339|7.470134|5.462356|4.445136|3.506092|3.198613|3.453731|4.453239|6.375206|0.109828|6.317113|22.718000|0.052666|0.043996|0.046834|0.068218|0.061088|0.076546|0.112720|0.111044|0.193555|0.500000| |1.824400|1.648182|1.703190|2.640486|2.044278|2.061815|0.052275|3.086833|2.702519|3.093180|3.961727|4.257640|3.364738|2.790661|16.020109|5.800724|9.123980|12.659671|17.630271|8.793111|5.958846|4.828148|4.504948|3.485356|2.993574|3.042073|3.713391|4.939530|0.086245|4.513968|23.816229|0.050041|0.042041|0.044635|0.063878|0.060161|0.079438|0.123698|0.091025|0.235839|0.303769|0.500000| |1.598557|1.478528|1.547721|2.370668|1.783233|1.885677|0.048829|2.805511|2.413339|2.704544|3.348277|3.614441|2.984391|2.507856|14.764512|4.778566|8.398007|8.278703|8.729970|17.604732|8.992484|6.996195|6.527276|4.484256|3.650448|3.667938|4.663320|5.894574|0.098455|5.451435|29.004443|0.043358|0.037946|0.041243|0.054467|0.054384|0.070010|0.102397|0.082331|0.142940|0.179612|0.230864|0.500000| |1.762935|1.632973|1.733794|2.691943|2.001088|2.191107|0.056504|3.273275|2.889257|3.214903|4.123536|4.766218|3.845411|3.088120|17.674463|6.873480|12.728259|10.469173|8.809912|17.619946|9.071048|5.783769|4.655299|3.542146|3.164692|3.393378|4.450055|6.366387|0.107744|6.794165|22.935267|0.047235|0.041554|0.046271|0.061419|0.062165|0.080449|0.121466|0.106912|0.160069|0.185371|0.181750|0.303719|0.500000| |1.361911|1.267449|1.311114|1.970712|1.487642|1.538053|0.040243|2.236987|1.862400|2.025682|2.371776|2.530381|2.226164|1.936300|11.934987|3.104354|5.687203|4.915847|4.795041|6.154826|6.556121|8.690132|17.763632|9.049188|5.579879|4.816767|5.492883|5.835604|0.098083|4.423880|53.618371|0.037313|0.032911|0.035056|0.044841|0.043772|0.053344|0.070562|0.062668|0.091328|0.124141|0.140294|0.217547|0.134276|0.500000| 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