Version2.4 2021-05-25T20:07:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc2c(c1)sc(n2)N3[C@H](C(=C(C3=O)[O-])C(=O)c4ccco4)c5ccc(cc5)Cl C08741083 RHF 6-31G(d) (6D,7F) CCc1ccc2c(c1)sc(n2)N3[C@H](C(=C(C3=O)[O-])C(=O)c4ccco4)c5ccc(cc5)Cl C01[X(C24H16Cl1N2O4S1)] 138 C1 520 CCc1ccc2c(c1)sc(n2)N1[C@@H](c2ccc(cc2)Cl)C(=C(C1=O)[O-])C(=O)c1ccco1 CCc1ccc2c(c1)sc(n2)N1[C@@H](c2ccc(cc2)Cl)C(=C(C1=O)[O-])C(=O)c1ccco1 CCc1ccc2nc(sc2c1)N3[C@@H](c4ccc(Cl)cc4)C(=C([O-])C3=O)C(=O)c5occc5 InChIKey=NGYRPAMFBRKLDS-FQEVSTJZSA-M InChI=1S/C24H17ClN2O4S/c1-2-13-5-10-16-18(12-13)32-24(26-16)27-20(14-6-8-15(25)9-7-14)19(22(29)23(27)30)21(28)17-4-3-11-31-17/h3-12,20,29H,2H2,1H3/p-1/t20-/m0/s1 InChI=1/C24H17ClN2O4S/c1-2-13-5-10-16-18(12-13)32-24(26-16)27-20(14-6-8-15(25)9-7-14)19(22(29)23(27)30)21(28)17-4-3-11-31-17/h3-12,20,29H,2H2,1H3/p-1/t20-/m0/s1/fC24H16ClN2O4S/h29h/q-1 CCc1ccc2c(c1)sc(n2)N3[C@H](C(=C(C3=O)[O-])C(=O)c4ccco4)c5ccc(cc5)Cl C01[X(C24H16Cl1N2O4S1)] 138 C01 520 CCc1ccc2c(c1)sc(n2)N1[C@@H](c2ccc(cc2)Cl)C(=C(C1=O)[O-])C(=O)c1ccco1 CC[C]1[CH][CH][C]2[C]([CH]1)SC(=N2)N1C(=O)[C]([C]([C](=O)C2=[CH][CH]=CO2)[C@@H]1[C]1[CH][CH][C]([CH][CH]1)Cl)=O CC[C]1[CH][CH][C]2N=C(S[C]2[CH]1)N3[C@@H]([C]4[CH][CH][C](Cl)[CH][CH]4)[C](C(=O)C3=O)C(=O)c5occc5 InChIKey=YZCOARVQHNHYQT-FQEVSTJZSA-N InChI=1S/C24H16ClN2O4S/c1-2-13-5-10-16-18(12-13)32-24(26-16)27-20(14-6-8-15(25)9-7-14)19(22(29)23(27)30)21(28)17-4-3-11-31-17/h3-12,20H,2H2,1H3/t20-/m0/s1 InChI=1/C24H16ClN2O4S/c1-2-13-5-10-16-18(12-13)32-24(26-16)27-20(14-6-8-15(25)9-7-14)19(22(29)23(27)30)21(28)17-4-3-11-31-17/h3-12,20H,2H2,1H3/t20-/m0/s1 3399.8327520258 -2183.5398361 1-A 17169.0098 120 400 520 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474.0825 482.5862 488.1085 500.2624 544.1565 569.5218 571.8791 579.0460 587.3949 661.6144 676.5686 687.5093 692.5558 706.4606 714.2155 737.3825 752.9169 765.8946 793.5463 817.5662 829.6298 844.3694 846.1669 855.1411 866.9154 886.4422 907.1613 912.4900 920.8127 934.7809 936.2902 956.0321 959.7087 972.9067 996.4986 999.3094 1001.8819 1024.3049 1048.8239 1078.0139 1079.2185 1099.9652 1100.3832 1109.6238 1135.3050 1156.1297 1174.2285 1186.5948 1189.8464 1197.1876 1199.6490 1212.7530 1232.5597 1270.4201 1273.7215 1297.6832 1303.6612 1305.1621 1316.7435 1327.6196 1339.5425 1359.4029 1374.2118 1389.0204 1409.3616 1422.8527 1431.5433 1443.9656 1488.8026 1496.3493 1523.2760 1549.5024 1556.7937 1558.5983 1577.7648 1580.7210 1634.8721 1640.1797 1644.3354 1655.4951 1669.8370 1677.3870 1717.4521 1758.9618 1774.8828 1784.0456 1801.3263 1808.2806 1812.9596 1946.1358 2001.4161 3193.9133 3202.7427 3230.2817 3256.1069 3272.4812 3310.8542 3342.3490 3353.6673 3382.2511 3383.5473 3385.4443 3399.8081 3403.8178 3426.0231 3467.3918 3473.0305 6.6100 7.8715 3.9104 3.6636 5.5870 6.2019 4.2773 5.8098 9.2664 7.7386 11.6450 6.6266 6.2495 5.6810 6.7138 4.4434 6.4063 5.0488 1.8856 7.3342 4.8652 4.8030 6.2952 6.1073 5.2193 4.3619 6.1114 7.6388 7.5202 5.5459 2.9968 6.1703 8.2013 3.4328 9.0414 5.4054 11.0147 9.7879 6.2897 3.5391 2.9729 4.3558 6.2532 7.0153 8.7005 6.9250 6.0665 6.6843 5.4548 8.7381 4.1087 4.4744 1.9258 1.5184 2.0981 2.6118 5.9118 6.3615 4.7781 4.6461 1.3737 1.3732 1.8784 1.5107 5.8897 4.6221 1.4822 1.4533 5.0197 2.4213 1.3334 1.3975 1.3818 1.4379 3.8582 3.8082 1.6875 2.4390 1.9197 2.7956 3.0021 3.3981 3.3048 1.5819 3.2372 2.4136 2.3790 1.2140 2.5293 3.1297 2.1728 4.6034 5.1392 2.2322 2.0350 1.4033 2.3199 1.6824 2.8415 1.6839 1.5024 2.0026 3.4091 4.1113 1.2576 2.1273 3.0883 1.0918 1.0429 2.2546 1.2208 2.2675 5.2421 10.3119 6.4048 6.2756 6.7106 5.4106 9.6713 6.5126 12.7887 13.0449 1.0428 1.0562 1.1040 1.1008 1.1042 1.0865 1.0897 1.0917 1.0898 1.0900 1.0947 1.0957 1.0952 1.0922 1.1014 1.1028 0.0013 0.0029 0.0020 0.0028 0.0057 0.0099 0.0081 0.0130 0.0251 0.0352 0.0755 0.0530 0.0693 0.0933 0.1379 0.1076 0.1775 0.1472 0.0590 0.3056 0.2070 0.2137 0.3714 0.3644 0.3481 0.3343 0.4844 0.6946 0.7169 0.6291 0.3748 0.8171 1.1253 0.4819 1.3332 0.9430 2.1050 1.8860 1.2425 0.7194 0.7667 1.1747 1.7414 1.9825 2.5584 2.0813 1.9435 2.2326 1.8852 3.2420 1.6181 1.8145 0.8089 0.6406 0.9040 1.1565 2.7370 3.0845 2.3440 2.3210 0.7072 0.7093 1.0115 0.8198 3.2846 2.7042 0.8721 0.8595 3.1031 1.5693 0.9130 0.9590 0.9851 1.0258 2.7989 2.8920 1.3290 1.9814 1.5925 2.3319 2.5352 2.8813 2.8638 1.4159 3.0783 2.3071 2.3604 1.2156 2.5385 3.1971 2.2564 4.8668 5.5956 2.4836 2.3133 1.6423 2.7672 2.0314 3.4907 2.1990 1.9820 2.7379 4.8225 5.8708 1.7999 3.1200 4.5466 1.7194 1.6531 3.5917 1.9714 3.7251 8.6901 17.9209 11.6753 11.6478 12.5841 10.3438 18.6324 12.6119 28.5380 30.7869 6.2673 6.3832 6.7876 6.8763 6.9674 7.0169 7.1725 7.2343 7.3454 7.3520 7.3921 7.4617 7.4764 7.5534 7.8019 7.8372 0.2578 0.2987 0.8553 0.2199 0.7372 0.9547 0.2644 0.9911 0.4587 4.9567 1.2154 1.8840 0.1951 0.9340 0.8517 2.9687 0.5163 1.5371 5.0391 0.6081 2.2859 8.5309 3.2170 0.8241 3.4795 0.8807 2.6591 9.5467 6.0440 7.4154 0.4486 1.1613 5.4228 1.0887 9.7555 1.8331 10.6379 21.6328 1.7882 15.1457 5.9628 8.6613 37.3452 2.4450 10.7653 8.7798 15.2503 3.7962 2.5300 66.3466 0.9967 2.6869 9.4419 10.0022 59.4578 27.0427 35.7395 52.1826 11.1489 19.7197 19.6872 15.5061 23.1457 3.8892 9.6748 8.0574 8.3248 1.8238 21.5795 0.8272 0.7870 1.7523 0.5878 41.2092 32.9482 41.3040 5.5401 0.2535 10.0386 30.5253 19.5855 25.6121 20.5549 2.0078 6.8996 57.8440 17.3447 5.2413 142.6525 2.6884 13.3400 101.2886 99.7179 32.9148 34.5715 8.8951 288.9398 126.3735 503.2650 136.7156 27.8187 496.7179 157.6335 458.4269 6.9472 20.5165 67.3707 3.1734 4.5030 149.4914 22.8139 59.6236 28.7056 639.5370 6.6717 7.0056 31.3083 11.9950 364.6717 59.8536 781.1857 411.1271 54.2179 60.5746 12.4452 86.5462 50.2377 11.9199 32.1480 22.0785 10.7217 2.2888 15.6266 9.7107 8.8856 14.3124 7.7176 1.9234 1.1621 8.6676 0.7266 2.9370 4.2812 1.8611 5.7561 2.8426 0.4075 1.4997 0.1353 0.8200 0.5463 2.4561 0.8837 2.4557 2.6303 1.9222 0.3209 2.7761 1.0116 0.4832 2.2397 2.5614 0.2122 1.0019 1.8208 2.5498 1.6876 4.6226 0.1516 2.1798 1.7896 0.4149 5.1484 2.6014 5.4198 1.1378 6.8667 0.6144 0.6841 1.0687 4.4049 4.7713 3.7438 2.1085 1.2106 12.8763 3.7637 7.9346 2.0768 1.8087 0.5313 0.5590 6.6286 2.4565 12.7038 3.4425 6.2113 9.8220 0.7196 2.2638 0.5574 1.9333 6.9956 14.8781 2.8107 5.6322 1.5532 11.0509 0.8677 1.6137 0.3361 4.5199 1.0146 2.0207 10.7721 3.3367 6.3641 3.5298 2.9425 16.6403 10.7019 0.3394 6.6647 2.1660 7.2030 8.3472 1.7795 14.2472 49.1699 19.8933 30.7407 68.2732 34.0224 23.6807 109.8249 19.0796 2.5574 5.7697 32.1683 14.7191 22.8148 31.2575 2.9565 2.2989 8.6345 47.6993 25.7385 122.7365 10.6014 0.4502 202.5725 525.3427 41.3977 4.0430 128.4510 40.8645 136.7154 44.3065 54.8619 87.7517 81.5991 205.5985 91.8382 161.5325 18.6676 31.4174 100.1662 74.8220 20.7202 68.5064 91.8803 60.7600 106.3456 127.2735 37.3673 119.1523 0.6943 0.7463 0.7499 0.7376 0.7160 0.6951 0.7489 0.7496 0.6777 0.7268 0.6956 0.7313 0.5067 0.7388 0.7321 0.3807 0.7056 0.7410 0.4056 0.0592 0.5976 0.2717 0.1934 0.6820 0.7491 0.6217 0.6668 0.4566 0.3230 0.1869 0.0799 0.7495 0.7113 0.7169 0.7095 0.4760 0.3420 0.0910 0.3586 0.7162 0.6135 0.1293 0.7443 0.7456 0.3454 0.4693 0.5272 0.0114 0.2752 0.1378 0.1689 0.7462 0.4999 0.5849 0.7049 0.6489 0.0080 0.5940 0.7337 0.1217 0.7107 0.7125 0.7410 0.5302 0.7089 0.0799 0.5289 0.5741 0.7322 0.7328 0.7361 0.7128 0.6103 0.3166 0.0485 0.3332 0.4807 0.1664 0.1157 0.3144 0.7424 0.0401 0.5426 0.2096 0.3112 0.4722 0.0869 0.1734 0.3691 0.2407 0.1873 0.4424 0.2554 0.2115 0.2808 0.4886 0.2812 0.4523 0.4572 0.6083 0.3641 0.7098 0.3000 0.5885 0.6025 0.3608 0.6300 0.6249 0.7403 0.3369 0.4004 0.2184 0.1994 0.3338 0.5068 0.7446 0.3114 0.5203 0.6443 0.3935 0.3263 0.1327 0.2781 0.0579 0.7483 0.5955 0.7448 0.1288 0.4096 0.2661 0.3868 0.7495 0.2130 0.1467 0.1424 0.4971 0.3499 0.1480 0.8196 0.8547 0.8571 0.8490 0.8345 0.8202 0.8564 0.8569 0.8079 0.8418 0.8205 0.8448 0.6726 0.8498 0.8453 0.5514 0.8274 0.8512 0.5771 0.1118 0.7482 0.4273 0.3240 0.8109 0.8565 0.7667 0.8001 0.6270 0.4883 0.3150 0.1480 0.8568 0.8313 0.8351 0.8300 0.6450 0.5097 0.1668 0.5279 0.8346 0.7604 0.2289 0.8534 0.8542 0.5135 0.6388 0.6904 0.0226 0.4316 0.2422 0.2890 0.8547 0.6665 0.7381 0.8269 0.7871 0.0158 0.7453 0.8464 0.2170 0.8309 0.8321 0.8512 0.6930 0.8297 0.1479 0.6919 0.7294 0.8454 0.8458 0.8480 0.8323 0.7580 0.4809 0.0925 0.4999 0.6493 0.2853 0.2074 0.4783 0.8522 0.0772 0.7035 0.3465 0.4747 0.6415 0.1598 0.2955 0.5392 0.3880 0.3155 0.6135 0.4069 0.3492 0.4384 0.6565 0.4389 0.6229 0.6275 0.7564 0.5339 0.8303 0.4616 0.7410 0.7519 0.5303 0.7730 0.7692 0.8508 0.5040 0.5718 0.3585 0.3325 0.5006 0.6727 0.8536 0.4749 0.6845 0.7837 0.5648 0.4921 0.2344 0.4352 0.1095 0.8560 0.7465 0.8538 0.2282 0.5812 0.4203 0.5578 0.8568 0.3512 0.2558 0.2494 0.6641 0.5184 0.2578 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 6 6 6 6 6 6 6 6 16 6 7 7 6 1 6 6 6 8 8 6 8 6 6 6 6 8 6 6 6 6 6 6 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 10958.0467 23817.5753 27863.7045 0.99998 0.00464 0.00414 -0.00470 0.99985 0.01658 -0.00406 -0.01659 0.99985 1 0.00790 0.00364 0.00311 0.16470 0.07577 0.06477 26.31 36.20 42.38 51.86 59.87 74.80 81.32 88.63 97.55 126.37 150.90 167.70 197.41 240.21 268.68 291.67 312.00 320.07 331.54 382.65 386.62 395.33 455.26 457.88 484.11 518.95 527.69 565.22 578.72 631.32 662.92 682.10 694.33 702.28 719.77 782.92 819.41 822.81 833.12 845.13 951.92 973.43 989.17 996.43 1016.44 1027.60 1060.93 1083.28 1101.95 1141.74 1176.30 1193.65 1214.86 1217.45 1230.36 1247.30 1275.39 1305.20 1312.87 1324.84 1344.94 1347.11 1375.52 1380.81 1399.80 1433.74 1437.78 1441.48 1473.75 1509.02 1551.02 1552.75 1582.60 1583.21 1596.50 1633.45 1663.41 1689.45 1707.25 1711.92 1722.49 1726.03 1744.88 1773.38 1827.85 1832.60 1867.08 1875.68 1877.84 1894.50 1910.15 1927.30 1955.88 1977.18 1998.49 2027.76 2047.17 2059.67 2077.54 2142.05 2152.91 2191.65 2229.39 2239.88 2242.48 2270.05 2274.30 2352.22 2359.85 2365.83 2381.89 2402.52 2413.39 2471.03 2530.75 2553.66 2566.84 2591.71 2601.71 2608.44 2800.06 2879.59 4595.33 4608.03 4647.65 4684.81 4708.37 4763.58 4808.89 4825.18 4866.30 4868.17 4870.90 4891.57 4897.33 4929.28 4988.80 4996.92 0.376641 0.402084 0.403028 0.317000 -2183.163195 -2183.137753 -2183.136808 -2183.222837 2.885427D-04 MUNgauss RevisionA2.1 retrievium 25-May-2021 DUDE CCc1ccc2c(c1)sc(n2)N3[C@H](C(=C(C3=O)[O-])C(=O)c4ccco4)c5ccc(cc5)Cl C08741083 RHF 6-31G(d) (6D,10F) C1 463.051932 |X|Y|Z| 105.804847 63.026941 44.741457 66.821154 26 6 7 8 16 22 2 1 1 |36.858105| |12.422900|36.858105| |7.491294|12.575168|36.858105| |5.714198|7.526873|13.604552|36.858105| |4.178678|4.999527|7.843194|13.817688|36.858105| |3.741923|4.419586|6.813686|7.974757|13.690658|36.858105| |4.137805|5.024985|7.957313|6.949043|7.939510|13.699484|36.858105| |5.591261|7.554821|13.755950|7.947271|6.815673|7.858988|13.734553|36.858105| |3.127478|3.555991|4.671850|4.257568|4.881584|7.410480|10.890044|6.717486|388.023441| |2.752387|3.079388|4.039513|4.167959|5.406226|8.682493|7.796474|4.976884|76.466908|36.858105| |2.965646|3.349915|4.565840|5.162221|7.737130|13.795931|8.126078|5.233997|52.142668|14.918927|53.358707| |2.306698|2.524083|3.133417|3.235553|4.006721|5.444486|5.033035|3.692449|49.407393|13.968902|11.192142|53.358707| |2.071664|2.243802|2.728712|2.922043|3.643333|4.518394|3.907673|3.043640|32.774791|7.655695|9.115571|17.532704|36.858105| |2.150500|2.302380|2.814849|3.090309|3.941472|4.771217|3.929841|3.075258|30.800990|7.119767|9.796377|12.498968|17.670169|0.500000| |1.823943|1.944200|2.293095|2.397954|2.850560|3.402750|3.132178|2.552295|26.937117|5.229960|6.090488|11.107762|12.529688|0.241510|36.858105| |1.830082|1.948244|2.282437|2.318010|2.690691|3.266065|3.178971|2.602225|29.320253|5.187396|5.600380|11.020861|7.874864|0.165871|13.507727|36.858105| |2.114258|2.281597|2.738828|2.733503|3.203209|4.129319|4.168002|3.251179|43.651772|7.841890|7.222246|18.789704|7.993137|0.170021|8.100685|12.396922|36.858105| |2.178961|2.350049|2.792516|2.692895|3.055509|3.929604|4.279580|3.409206|49.075151|6.719237|6.316798|11.387787|5.406034|0.126410|5.424980|7.742087|15.967482|73.516695| |1.686205|1.780153|2.045492|2.051631|2.324048|2.756269|2.747980|2.320976|24.990852|4.027045|4.495205|7.466829|5.269068|0.121560|7.873044|15.783951|8.033557|11.821051|73.516695| |1.630300|1.720866|1.991377|2.096535|2.451323|2.799020|2.569000|2.164713|21.022838|3.820081|4.771562|6.952634|7.245334|0.176636|13.319050|7.639315|5.099136|6.978511|11.071980|36.858105| |1.494845|1.569349|1.789482|1.862119|2.132401|2.406498|2.260187|1.942301|18.525476|3.179248|3.954566|5.550128|5.084879|0.126581|8.102792|6.550210|4.351979|6.308470|11.333042|15.701762|73.516695| |1.600605|1.683764|1.943035|2.088312|2.455984|2.715292|2.422767|2.064319|18.850253|3.436650|4.584774|5.777483|6.135547|0.172830|7.465734|4.938545|3.913494|5.605892|7.454570|12.657780|14.829946|36.858105| |1.451685|1.519379|1.726792|1.853751|2.140214|2.308702|2.080381|1.811983|15.896189|2.775650|3.753981|4.455770|4.313306|0.121872|4.989951|3.775129|3.091182|4.622834|6.076936|7.433919|11.949236|14.163457|36.858105| |1.462704|1.526306|1.731186|1.886358|2.181813|2.296462|2.035710|1.787243|15.083336|2.629533|3.686408|4.049865|3.849581|0.114688|4.021602|3.134743|2.724998|4.142382|5.013643|5.140327|8.063531|8.553373|13.273963|36.858105| |1.623694|1.698574|1.953192|2.161521|2.555360|2.686890|2.320395|2.010677|16.964890|3.057407|4.407780|4.665497|4.601350|0.146713|4.444345|3.357395|3.006817|4.509972|5.185539|5.268571|7.626510|8.762142|8.617798|14.208917|36.858105| |1.735579|1.826666|2.131866|2.342666|2.817885|3.077188|2.648064|2.238266|19.927676|3.760330|5.295032|6.056138|6.645621|0.219301|6.400910|4.369513|3.808562|5.483047|6.430320|7.602360|9.618184|14.083093|8.645337|8.637617|14.227091|73.516695| |1.998236|2.206139|2.667458|2.900129|3.610858|4.285332|3.642601|2.907962|28.680688|6.100378|8.151264|10.500506|12.424099|0.248293|7.407330|5.455747|5.550712|7.580433|7.350844|5.748834|7.740504|5.474170|4.163028|3.835137|4.523328|10.609006|36.858105| |2.048931|2.271483|2.751432|3.112969|3.962194|4.399035|3.539630|2.887127|25.456122|5.162107|8.010119|7.493127|7.494115|0.204098|5.084857|3.973860|4.110446|6.019946|5.703533|4.459096|6.283346|4.798752|3.900082|3.906998|4.822271|10.324992|13.735733|36.858105| |1.923104|2.149293|2.546234|2.871814|3.504906|3.696624|3.080829|2.618225|21.662376|3.982222|6.056089|5.582491|4.979008|0.133106|3.888641|3.228743|3.311973|5.072618|4.850368|3.600129|5.370958|3.885854|3.410974|3.481212|4.048893|7.861791|7.876162|13.743763|36.858105| |1.782558|1.997839|2.327528|2.540846|2.988058|3.207069|2.816254|2.427523|20.492384|3.590745|5.111178|5.170828|4.418083|0.111193|3.707150|3.189736|3.229554|5.016393|4.888432|3.456866|5.326436|3.561387|3.193568|3.129515|3.430078|6.669876|6.856172|7.994357|13.810366|36.858105| |1.746567|1.950798|2.272818|2.417370|2.822755|3.154321|2.861189|2.435937|22.011667|3.852336|5.129737|5.881561|4.979863|0.116389|4.352447|3.805178|3.789182|5.801106|5.794376|3.948813|6.112720|3.799257|3.324758|3.085002|3.307566|6.718419|7.877343|6.892442|7.925176|13.782549|36.858105| |1.839033|2.040275|2.414518|2.556603|3.047234|3.557038|3.213928|2.645824|25.967912|4.878226|6.162250|8.238099|7.486208|0.155628|6.267945|5.215719|5.129216|7.333192|7.423296|5.178106|7.568871|4.646982|3.779941|3.378365|3.702017|8.092925|13.701872|7.997249|6.888318|7.990368|13.767520|36.858105| |1.627925|1.822574|2.065383|2.238127|2.529617|2.615234|2.356378|2.111991|16.778949|2.757415|3.928437|3.859532|3.140237|0.081618|2.783075|2.491856|2.516887|4.055920|3.967857|2.679320|4.307893|2.779613|2.622677|2.621622|2.776995|5.130840|4.202411|4.761934|7.019855|10.857204|7.013837|4.761609|448.794386| |17.550789|8.766609|6.789985|6.073110|4.424698|3.779857|3.942712|4.963809|21.170711|2.729894|4.097555|3.125207|2.094432|0.061236|1.835733|1.819645|2.082262|3.760219|2.968396|1.650478|2.680426|1.637547|1.487511|1.511473|1.687561|3.187002|2.017275|2.094126|1.959414|1.794219|1.742662|1.835669|13.132986|0.500000| |17.553635|8.773780|6.790178|5.081367|3.983714|3.769182|4.336831|5.859396|23.859836|2.866489|4.110671|3.267118|2.125424|0.061194|1.884134|1.911251|2.225317|4.126720|3.140586|1.674862|2.735045|1.629955|1.472136|1.473580|1.633486|3.126804|2.014543|2.034756|1.887699|1.755590|1.739955|1.852680|12.760501|0.302023|0.500000| |17.525516|8.760734|5.468663|4.449905|3.421925|3.104116|3.398744|4.391872|19.199456|2.391978|3.464977|2.786724|1.856242|0.053236|1.654983|1.664274|1.900010|3.488832|2.750286|1.492743|2.451281|1.467138|1.341215|1.351798|1.488721|2.809497|1.802473|1.846721|1.752727|1.638978|1.605985|1.677178|12.171182|0.300963|0.300836|0.500000| |8.858825|17.528601|8.906011|7.084057|4.714275|3.981192|4.245331|5.709961|22.116974|2.805894|4.212822|3.182475|2.121594|0.060524|1.839256|1.824865|2.105850|3.811840|2.967308|1.644145|2.668713|1.623777|1.475680|1.492300|1.658167|3.138803|2.124522|2.222229|2.139861|1.987646|1.915191|1.973370|14.778075|0.210670|0.173116|0.213097|0.500000| |8.861078|17.537873|8.909109|5.640012|4.195991|3.970556|4.747728|7.202191|25.221531|2.954763|4.228589|3.332593|2.154206|0.060502|1.888084|1.917090|2.253643|4.193224|3.138713|1.668480|2.722828|1.616826|1.461098|1.456378|1.607539|3.082480|2.121801|2.152569|2.048292|1.936012|1.911788|1.994687|14.256926|0.173073|0.211037|0.212968|0.304225|0.500000| 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