Version2.3 2021-03-31T10:30:31Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 09-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1nc(cs1)[C@@H](C)n2cnc3c(c2=O)c4c(s3)C[C@H](CC4)[NH2+]CCc5ccc(cc5)Cl C12325753 RHF 6-31G(d) (6D,7F) Cc1nc(cs1)[C@@H](C)n2cnc3c(c2=O)c4c(s3)C[C@H](CC4)[NH2+]CCc5ccc(cc5)Cl C01[X(C24H26Cl1N4O1S2)] 168 C1 544 Clc1ccc(cc1)CC[NH2+][C@H]1CCc2c(C1)sc1c2c(=O)n(cn1)[C@@H](c1csc(n1)C)C Clc1ccc(cc1)CC[NH2+][C@H]1CCc2c(C1)sc1c2c(=O)n(cn1)[C@@H](c1csc(n1)C)C C[C@@H](N1C=Nc2sc3C[C@H](CCc3c2C1=O)[NH2+]CCc4ccc(Cl)cc4)c5csc(C)n5 InChIKey=PMESEOCENSKGEG-KDOFPFPSSA-O InChI=1S/C24H25ClN4OS2/c1-14(20-12-31-15(2)28-20)29-13-27-23-22(24(29)30)19-8-7-18(11-21(19)32-23)26-10-9-16-3-5-17(25)6-4-16/h3-6,12-14,18,26H,7-11H2,1-2H3/p+1/t14-,18+/m1/s1 InChI=1/C24H25ClN4OS2/c1-14(20-12-31-15(2)28-20)29-13-27-23-22(24(29)30)19-8-7-18(11-21(19)32-23)26-10-9-16-3-5-17(25)6-4-16/h3-6,12-14,18,26H,7-11H2,1-2H3/p+1/t14-,18+/m1/s1/fC24H26ClN4OS2/h26H/q+1 Cc1nc(cs1)[C@@H](C)n2cnc3c(c2=O)c4c(s3)C[C@H](CC4)[NH2+]CCc5ccc(cc5)Cl C01[X(C24H26Cl1N4O1S2)] 168 C01 544 Clc1ccc(cc1)CC[NH2+][C@H]1CCc2c(C1)sc1c2c(=O)n(cn1)[C@@H](c1csc(n1)C)C C[C]1SC=[C]([N]=1)[C@H](N1C=[N][C]2[C]([C]3=C(S2)C[C@H](CC3)[NH2]CC[C]2[CH][CH][C]([CH][CH]2)Cl)C1=O)C C[C@@H](N1C=N[C]2SC3=C(CC[C@@H](C3)[NH2]CC[C]4[CH][CH][C](Cl)[CH][CH]4)[C]2C1=O)c5csc(C)n5 InChIKey=KMARDBWRWZZHQA-KDOFPFPSSA-N InChI=1S/C24H26ClN4OS2/c1-14(20-12-31-15(2)28-20)29-13-27-23-22(24(29)30)19-8-7-18(11-21(19)32-23)26-10-9-16-3-5-17(25)6-4-16/h3-6,12-14,18H,7-11,26H2,1-2H3/t14-,18+/m1/s1 InChI=1/C24H26ClN4OS2/c1-14(20-12-31-15(2)28-20)29-13-27-23-22(24(29)30)19-8-7-18(11-21(19)32-23)26-10-9-16-3-5-17(25)6-4-16/h3-6,12-14,18H,7-11,26H2,1-2H3/t14-,18+/m1/s1 3373.5724875677 -2470.976795 1-A 36563.7510 127 417 544 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.90502 -92.06709 -92.04188 -20.61461 -15.85723 -15.71177 -15.64888 -15.63622 -11.45042 -11.44796 -11.44775 -11.41693 -11.40455 -11.39374 -11.38810 -11.38778 -11.38272 -11.37600 -11.36978 -11.36110 -11.36060 -11.35520 -11.34818 -11.34811 -11.34724 -11.34207 -11.34205 -11.34035 -11.33067 -11.32724 -11.29925 -11.29470 -10.63842 -9.07721 -9.05333 -8.10782 -8.10434 -8.10433 -6.75965 -6.75878 -6.75694 -6.73573 -6.73478 -6.73314 -1.49187 -1.48952 -1.41052 -1.36304 -1.32208 -1.29293 -1.28758 -1.24437 -1.22429 -1.18258 -1.16795 -1.15505 -1.13269 -1.13179 -1.11777 -1.10144 -1.09277 -1.08138 -1.02579 -1.02181 -1.01451 -0.98153 -0.97013 -0.95794 -0.95004 -0.93754 -0.90959 -0.90516 -0.86907 -0.84394 -0.83433 -0.82415 -0.82215 -0.80623 -0.79710 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1562.9181 1564.5581 1568.3306 1571.0473 1572.5821 1586.0703 1593.3307 1619.6735 1621.0305 1623.6425 1633.2900 1634.4357 1636.1013 1646.3867 1647.0622 1652.2654 1675.4686 1690.3598 1718.6904 1770.2304 1772.1956 1779.2628 1806.0972 1806.9520 1823.4620 1925.2926 3173.2009 3199.7791 3208.2584 3222.9693 3224.6242 3226.7972 3243.1296 3248.7690 3251.5794 3283.7535 3284.0912 3291.5414 3294.3169 3304.4760 3309.0489 3325.2774 3357.2538 3358.3837 3359.3716 3363.8476 3408.2195 3408.7552 3453.0092 3464.3183 3662.4118 3725.9220 7.5186 7.7553 6.9155 4.1982 7.0647 5.0465 6.2465 5.2363 1.0565 6.1654 3.3935 4.0399 4.6117 2.8241 3.3686 3.3136 5.1786 4.5217 3.7466 3.0659 4.5155 1.3076 3.7272 2.7154 3.7725 4.7211 5.1362 4.1310 4.4343 4.9846 4.9994 6.5705 2.8463 6.2416 5.5077 2.9426 3.9744 3.0077 4.2728 5.0146 4.2586 4.6239 3.6433 4.1081 4.5937 5.0385 5.0941 5.2441 4.7765 6.8580 5.7765 5.3553 8.3033 4.9477 5.2186 3.8639 3.0096 1.1903 3.3178 2.5845 6.1829 3.0619 1.5906 3.4154 1.5238 2.0797 2.0322 1.2660 2.4751 1.9783 3.7105 3.5273 3.7499 2.1394 4.3756 1.4423 1.3605 2.1929 3.4133 2.6358 1.5189 2.1012 2.3694 2.8782 1.4511 2.0279 1.8682 1.7226 2.8340 3.6559 2.1665 2.6014 1.3870 1.6141 1.4602 1.1848 4.1743 1.6853 3.1989 2.4890 1.6580 2.2287 1.7547 1.6692 1.2737 1.2274 3.6547 1.2893 1.4117 1.3957 1.7674 1.5517 1.3930 1.3792 1.4270 1.5362 1.2660 1.7255 1.7872 1.4494 1.5712 1.7172 2.0035 1.0866 1.0444 1.1005 1.0487 1.0990 1.0969 1.0728 1.0904 1.1136 2.3036 9.1417 6.4950 6.1870 7.5900 6.8964 6.3324 5.3977 1.0786 12.0734 1.0719 1.0608 1.0609 1.0373 1.0365 1.0840 1.0934 1.1064 1.0925 1.1029 1.0819 1.0694 1.1040 1.1036 1.0948 1.1031 1.0956 1.0914 1.1070 1.0875 1.0950 1.0955 1.0972 1.0960 1.0557 1.0953 0.0004 0.0005 0.0013 0.0012 0.0049 0.0051 0.0077 0.0139 0.0032 0.0274 0.0196 0.0275 0.0340 0.0305 0.0503 0.0556 0.1041 0.1081 0.1032 0.0941 0.1655 0.0526 0.1566 0.1185 0.1721 0.2381 0.3531 0.2945 0.3428 0.4093 0.4247 0.6216 0.2761 0.7180 0.6684 0.3635 0.5068 0.4276 0.6380 0.8438 0.7601 0.9382 0.7514 0.8553 1.0241 1.1480 1.2330 1.4390 1.3529 1.9630 1.7776 1.6928 2.6517 1.6685 1.9057 1.4583 1.1885 0.4814 1.4402 1.1629 2.8727 1.4560 0.7585 1.6861 0.7780 1.0803 1.0678 0.6691 1.4691 1.2148 2.3074 2.2676 2.5074 1.4554 3.0241 1.0051 0.9752 1.5801 2.4923 1.9322 1.1205 1.5673 1.8197 2.2445 1.1501 1.6893 1.5780 1.4666 2.4248 3.1731 1.9074 2.4318 1.3177 1.5529 1.4239 1.1945 4.2163 1.7125 3.2649 2.5428 1.7994 2.5033 2.0443 1.9786 1.5202 1.4933 4.6226 1.6318 1.8171 1.8093 2.3350 2.0667 1.8703 1.9145 2.0163 2.1787 1.8220 2.4886 2.5900 2.1078 2.2893 2.5452 2.9968 1.6794 1.6169 1.7092 1.6483 1.7297 1.7300 1.7133 1.7429 1.7912 3.8100 15.3899 11.3039 11.4233 14.0448 12.8633 12.1703 10.3838 2.1131 26.3678 6.3592 6.3991 6.4335 6.3484 6.3502 6.6499 6.7760 6.8805 6.8055 7.0072 6.8747 6.8265 7.0590 7.1003 7.0633 7.1867 7.2755 7.2527 7.3603 7.2502 7.4944 7.4999 7.7081 7.7500 8.3427 8.9586 0.1258 1.0531 1.0228 0.5092 1.3563 0.9688 0.4779 1.4165 0.3283 7.9465 1.2409 2.1637 1.2599 0.5288 2.7183 2.3448 4.7017 0.9784 1.3905 1.9561 7.5538 0.4383 0.8978 4.4383 1.2677 4.5719 6.0621 0.2791 6.4024 5.5864 2.8567 0.2354 0.1061 1.7877 13.9732 0.0413 1.9613 2.4495 2.8301 0.9421 14.2385 4.1098 20.1487 5.8964 5.4827 5.3314 21.4010 13.0379 3.9439 0.5905 5.5869 19.9594 3.9624 7.9289 9.2528 1.9843 3.7809 7.5294 1.9838 16.2277 44.1721 8.8525 19.4294 5.3390 5.9781 29.2587 25.7899 0.3363 2.5350 3.9219 7.2022 87.7100 98.1608 13.7692 39.9379 1.8392 0.0278 15.1341 19.6693 6.2468 2.9284 4.4290 9.0980 14.5078 0.1629 2.1211 31.1772 3.7301 58.4266 75.4662 28.4462 41.7376 7.5978 34.5986 3.6860 0.3063 36.3128 2.7523 26.9705 1.4353 27.2366 139.4085 45.3012 7.8710 22.2920 3.9912 9.8497 1.6595 22.0963 3.4379 2.7952 20.8657 2.4367 17.9827 7.8496 58.1934 3.2411 29.8125 23.1170 22.5784 15.3997 49.7032 138.7132 17.5627 10.0567 13.4446 9.7296 1.7897 5.8968 11.5192 8.2326 1.9247 64.7671 305.8932 75.6982 0.0002 24.9838 193.4877 392.0084 20.9742 52.2002 579.0784 44.6616 32.3086 26.0625 13.7785 17.4319 4.5799 27.6668 13.2612 15.1646 9.5965 5.8122 8.9636 31.1539 15.2919 3.0187 5.9184 6.4170 12.3771 10.1024 5.1182 1.7205 0.0727 3.7799 0.5841 43.2784 49.0077 0.1695 0.0880 4.3800 6.9291 3.5464 2.4746 1.2730 1.0839 0.2614 0.9053 0.4895 0.6341 0.8949 0.2203 0.4637 0.3926 1.9734 1.0830 0.6881 0.2620 0.5369 0.1574 0.6453 0.3130 0.5235 1.5546 0.9969 0.5587 1.9687 0.9407 2.1213 4.2440 0.1505 5.3899 2.2455 0.0191 1.7003 3.1521 1.7141 2.0645 3.7257 1.0431 0.3521 3.7804 4.4272 3.0750 8.8486 5.6345 2.9891 6.2747 12.3260 7.4304 2.4083 3.5192 3.2845 1.5543 4.7859 0.8080 1.0179 4.9604 2.8310 13.5999 3.0375 3.4483 3.1409 4.0767 1.4391 2.0546 1.2898 1.9532 9.0922 14.5460 23.3027 4.7125 4.2657 1.1129 0.0687 21.5401 1.3263 12.0964 2.5528 15.2004 12.3989 14.4484 0.4879 1.5930 4.4290 0.8017 11.2686 18.6162 11.6485 6.4008 3.9987 6.4262 3.7989 3.1831 26.2784 2.3027 4.8560 12.0938 10.3496 4.2361 20.6697 19.0320 3.6475 18.3553 16.1320 1.3881 6.9318 21.0792 11.4540 6.6958 20.8522 1.1403 1.3021 8.5796 7.3018 8.0376 1.0456 2.3586 1.3240 2.3245 4.5525 24.3500 16.4487 20.0818 16.2215 2.6085 35.3073 26.4316 1.6219 18.4190 0.5380 576.0016 27.0067 3.8721 12.6964 9.8752 87.3194 74.6172 8.6927 7.6078 136.7294 86.9986 83.2514 143.4717 134.5078 71.8540 77.4007 54.2643 74.5704 91.4441 7.4122 66.6901 102.9125 43.6944 64.7050 56.8231 56.2047 66.8308 15.0994 20.7281 38.4834 152.2720 62.1821 64.7944 36.7070 23.3465 0.6558 0.7253 0.7317 0.7498 0.7324 0.7395 0.7376 0.7496 0.7285 0.6243 0.6589 0.7496 0.4832 0.7324 0.7269 0.3837 0.1758 0.3002 0.3344 0.6677 0.6114 0.5916 0.7484 0.7196 0.7380 0.4445 0.7356 0.2542 0.0640 0.7454 0.6648 0.5414 0.6778 0.6386 0.2457 0.7338 0.3808 0.1447 0.7495 0.7451 0.7294 0.2028 0.6447 0.6882 0.3017 0.7413 0.0578 0.4923 0.2481 0.7498 0.1504 0.1048 0.6022 0.2580 0.7161 0.1422 0.3591 0.4478 0.3959 0.4914 0.5430 0.0628 0.1920 0.4762 0.2614 0.2011 0.2164 0.7252 0.6467 0.6981 0.1041 0.7291 0.3351 0.7199 0.3160 0.6317 0.3813 0.2421 0.5225 0.3089 0.5562 0.4308 0.4969 0.3379 0.7360 0.2559 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0.1182 0.3222 0.6452 0.4145 0.3349 0.3558 0.8407 0.7854 0.8222 0.1885 0.8433 0.5020 0.8372 0.4803 0.7743 0.5520 0.3899 0.6863 0.4720 0.7148 0.6022 0.6639 0.5051 0.8479 0.4075 0.4121 0.8445 0.7765 0.1745 0.4343 0.4317 0.6394 0.7712 0.8539 0.3168 0.4250 0.7223 0.5905 0.2222 0.5383 0.8429 0.5426 0.6095 0.8061 0.7614 0.4575 0.8569 0.5121 0.5988 0.8167 0.6926 0.5236 0.7076 0.8530 0.4941 0.6724 0.5240 0.8545 0.8172 0.7307 0.7096 0.7594 0.7460 0.8569 0.7804 0.8533 0.7648 0.8035 0.7643 0.7852 0.5265 0.5910 0.5055 0.2454 0.8570 0.3941 0.3623 0.3966 0.6719 0.8201 0.8422 0.3235 0.1482 0.0870 0.0744 0.0662 0.5901 0.4956 0.8520 0.7222 0.8489 0.4572 0.0658 0.8463 0.8352 0.6051 0.8528 0.8460 0.2861 0.7601 0.1644 0.8568 0.2671 0.4879 0.3936 0.1061 0.8286 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 49 50 51 52 53 54 55 56 57 58 6 6 7 6 6 16 6 1 6 7 6 7 6 6 6 8 6 6 16 6 6 1 6 6 7 1 1 6 6 6 6 6 6 6 6 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 14.00307 12.00000 12.00000 31.97207 12.00000 1.00783 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 31.97207 12.00000 12.00000 1.00783 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 4747.9249 65995.3582 67560.5505 0.99997 0.00715 -0.00292 -0.00710 0.99983 0.01700 0.00304 -0.01697 0.99985 1 0.01824 0.00131 0.00128 0.38011 0.02735 0.02671 13.45 15.07 26.02 31.32 49.37 59.31 65.74 96.63 103.19 124.92 142.52 154.62 160.87 194.78 229.11 242.87 265.71 289.78 311.12 328.35 358.86 375.95 384.24 391.59 400.33 420.92 491.45 500.51 521.18 537.11 546.31 576.52 583.82 635.74 652.99 658.77 669.36 706.77 724.31 768.92 791.89 844.32 851.27 855.28 885.03 894.74 922.18 981.88 997.59 1002.82 1039.81 1053.85 1059.27 1088.52 1132.72 1151.54 1177.93 1192.06 1234.98 1257.32 1277.67 1292.57 1294.44 1317.02 1339.34 1350.95 1358.72 1362.68 1444.11 1468.86 1478.14 1502.89 1532.73 1545.98 1558.30 1564.72 1586.93 1591.13 1601.70 1604.87 1609.95 1618.88 1642.67 1655.26 1668.71 1710.80 1722.70 1729.55 1733.83 1746.28 1758.75 1812.30 1826.95 1838.58 1850.96 1882.16 1883.82 1889.48 1893.68 1894.57 1952.72 1986.55 2023.17 2040.80 2047.77 2067.55 2108.07 2108.71 2126.59 2134.16 2154.49 2163.22 2171.92 2208.43 2228.06 2232.28 2248.69 2251.05 2256.48 2260.39 2262.59 2282.00 2292.45 2330.35 2332.30 2336.06 2349.94 2351.59 2353.98 2368.78 2369.76 2377.24 2410.63 2432.05 2472.81 2546.97 2549.79 2559.96 2598.57 2599.80 2623.56 2770.07 4565.53 4603.77 4615.97 4637.13 4639.51 4642.64 4666.14 4674.25 4678.30 4724.59 4725.07 4735.79 4739.79 4754.40 4760.98 4784.33 4830.34 4831.97 4833.39 4839.83 4903.67 4904.44 4968.11 4984.38 5269.39 5360.77 0.506192 0.534167 0.535111 0.441252 -2470.470603 -2470.442628 -2470.441684 -2470.535543 3.148046D-04 MUNgauss RevisionA2.1 retrievium 31-Mar-2021 DUDE Cc1nc(cs1)[C@@H](C)n2cnc3c(c2=O)c4c(s3)C[C@H](CC4)[NH2+]CCc5ccc(cc5)Cl C12325753 RHF 6-31G(d) (6D,10F) C1 485.123658 |X|Y|Z| 43.358982 32.708258 183.340734 63.826126 28 6 7 16 22 4 2 |36.858105| |12.707311|36.858105| |7.762455|14.906185|53.358707| |5.225280|8.646604|18.775891|36.858105| |4.876663|7.839285|11.277618|14.216818|36.858105| |6.722354|10.956914|10.196712|7.563058|11.027264|388.023441| |3.856019|5.287612|10.401431|12.641587|7.527948|33.902509|36.858105| |3.318860|4.421632|7.717381|9.046702|7.276766|31.515403|17.721928|0.500000| |3.557301|4.516331|8.492221|7.530731|5.272536|27.753939|12.456551|0.248094|36.858105| |3.522354|4.503993|8.395752|7.711558|5.444390|28.134218|12.804592|0.259586|7.646529|53.358707| |3.732479|4.497522|8.388760|6.186191|4.460526|25.858804|7.724137|0.160832|6.319043|19.098031|36.858105| |3.226685|3.654421|6.198290|4.462290|3.543224|21.684444|5.171155|0.120544|4.517744|11.015351|14.867179|53.358707| |2.756730|3.135530|5.101699|3.914097|3.286214|19.823471|4.609599|0.116246|3.905271|9.797952|8.601344|19.167573|36.858105| |2.630202|3.082678|4.990745|4.123332|3.556427|20.479719|5.079448|0.137415|4.055099|10.944846|7.104671|10.724985|13.983405|36.858105| |2.909549|3.588712|6.036894|5.508484|4.597786|24.271956|7.701387|0.218826|5.340725|18.555073|7.909649|9.075148|7.876872|13.166747|36.858105| |2.680216|3.318391|5.373944|5.125386|4.664020|23.880564|6.925363|0.241183|4.905211|11.385722|5.431553|6.387638|5.375618|8.090416|15.833025|73.516695| |2.229232|2.547138|3.949907|3.220478|2.934727|17.459295|3.767663|0.106534|3.163695|6.889396|4.639447|7.115605|8.136926|13.197425|7.329694|11.162874|36.858105| |2.091806|2.323137|3.550983|2.780025|2.533510|15.662285|3.146970|0.086480|2.751369|5.587898|4.121887|6.817933|7.707231|8.263466|5.144528|7.832430|14.182631|36.858105| |2.300911|2.509477|3.880706|2.906965|2.565335|16.193715|3.249549|0.084935|2.903171|5.926848|4.950882|9.575563|10.996879|7.406237|4.825480|6.875252|7.358296|10.887682|388.023441| |1.811078|1.977889|2.954956|2.295076|2.142902|13.537764|2.538064|0.070641|2.273265|4.236657|3.112155|4.938368|4.825997|5.065942|3.737984|6.104068|7.519788|12.666463|47.700059|36.858105| |1.688034|1.858659|2.765464|2.190785|2.079462|12.995933|2.441373|0.069823|2.191529|3.952797|2.782207|4.192692|3.938928|4.489801|3.570292|6.195316|6.754658|7.733370|32.947817|12.460197|36.858105| |1.641384|1.808786|2.710037|2.152290|2.027885|12.590792|2.439783|0.070016|2.230513|3.924877|2.752816|4.114231|3.811975|4.339764|3.524859|6.152402|6.190637|6.712719|31.013368|8.826032|17.600400|0.500000| |1.788950|2.002360|2.972587|2.410595|2.327860|14.311036|2.680686|0.078506|2.335933|4.307886|2.906132|4.231142|3.962772|4.909431|4.070029|7.435052|7.613315|6.761081|29.732244|7.525181|12.471578|0.245253|36.858105| |2.021987|2.316607|3.520315|2.935375|2.787349|16.494678|3.394359|0.101126|2.869114|5.661726|3.630023|5.174113|5.041386|7.267243|5.934205|11.093312|12.646519|7.603115|33.484724|6.267527|7.566036|0.192089|12.428974|36.858105| |1.509072|1.640131|2.401784|1.882703|1.812177|11.552918|2.053188|0.058650|1.867467|3.223408|2.291812|3.413759|3.047446|3.331781|2.798788|4.926813|4.444223|5.011111|25.418698|7.623281|12.554702|0.254173|7.701416|4.959801|53.358707| |1.520731|1.647072|2.393027|1.867697|1.810279|11.647967|2.007004|0.057140|1.810937|3.143519|2.244617|3.346151|2.968109|3.214778|2.710105|4.758310|4.217811|4.775739|24.832692|7.097864|9.184425|0.181331|7.108686|4.620924|25.671571|0.500000| |1.452149|1.582975|2.311310|1.825116|1.771835|11.263000|1.991040|0.057496|1.814800|3.076011|2.155867|3.151297|2.770249|3.081761|2.674462|4.822234|4.016345|4.232201|22.107076|5.675123|9.229752|0.221486|7.412373|4.777742|25.681913|0.329826|0.500000| |1.400312|1.504205|2.198950|1.700771|1.627070|10.487440|1.850576|0.052309|1.717638|2.883262|2.091337|3.137074|2.733313|2.865361|2.429044|4.217965|3.603153|4.193478|23.375664|6.128988|7.384573|0.193812|4.920534|3.748773|17.222800|0.255745|0.257019|36.858105| |1.273557|1.359180|1.966075|1.515686|1.465573|9.550494|1.628222|0.046130|1.518743|2.487106|1.800667|2.661556|2.257691|2.358560|2.063106|3.626746|2.851423|3.183543|18.698280|4.214710|4.882271|0.129032|3.847721|3.015816|10.374687|0.195155|0.201939|12.459403|36.858105| |1.191499|1.261300|1.821661|1.392144|1.341117|8.803485|1.492262|0.041999|1.410323|2.265109|1.658388|2.453760|2.044214|2.091902|1.844744|3.219611|2.451018|2.745000|16.959825|3.476899|3.751707|0.103506|3.026410|2.518746|6.756224|0.128963|0.130969|7.614504|12.575371|36.858105| |1.171985|1.230977|1.770390|1.340704|1.290300|8.550426|1.425221|0.039812|1.349016|2.163278|1.602232|2.384506|1.966947|1.976255|1.740490|3.009483|2.277467|2.582788|16.515133|3.224055|3.266374|0.088260|2.684792|2.282869|5.571182|0.112263|0.104760|5.724946|7.550554|13.716855|36.858105| |1.102535|1.151457|1.653184|1.245281|1.196784|7.970164|1.321233|0.036785|1.262474|1.991485|1.482851|2.199656|1.787454|1.779229|1.582785|2.732248|2.007813|2.255571|14.855978|2.710497|2.708807|0.074655|2.277496|1.995098|4.364385|0.087248|0.083573|4.203033|5.012168|7.898113|13.766091|36.858105| |1.057523|1.105907|1.590662|1.200977|1.153630|7.660475|1.280049|0.035731|1.232148|1.917775|1.422368|2.095227|1.693993|1.694406|1.521326|2.639104|1.899879|2.103134|13.856079|2.480127|2.530963|0.071563|2.145239|1.902342|4.002136|0.078042|0.078503|3.798351|4.440987|6.864864|7.974949|13.767269|36.858105| |1.070579|1.126382|1.625520|1.235927|1.187983|7.831292|1.326184|0.037237|1.276787|1.984757|1.459152|2.138562|1.739674|1.762489|1.586916|2.772941|1.993137|2.183268|14.089656|2.583296|2.730232|0.078793|2.302392|2.028247|4.366378|0.082805|0.087629|4.208182|5.012379|7.898117|6.880358|7.919672|13.766760|36.858105| |1.134035|1.200658|1.736738|1.329120|1.279355|8.380622|1.431401|0.040382|1.366413|2.154712|1.572630|2.307683|1.904172|1.953524|1.745952|3.063782|2.256240|2.476418|15.486510|3.017084|3.303898|0.095289|2.725571|2.332601|5.575255|0.103287|0.113045|5.737847|7.551076|13.716341|7.967748|6.880372|7.974976|13.766683|36.858105| |0.983237|1.022006|1.465592|1.100470|1.056971|7.061588|1.168275|0.032505|1.133927|1.736386|1.293633|1.896562|1.510476|1.499471|1.360778|2.358031|1.649058|1.807728|12.200689|2.067041|2.081395|0.059037|1.806522|1.639402|3.171927|0.062360|0.062603|2.846676|3.162576|4.224865|4.779687|7.053304|10.986033|7.053274|4.779735|448.794386| |17.570015|8.898820|8.216592|4.492478|4.382603|43.702992|3.424676|0.083921|3.273799|4.163732|3.172399|3.769024|2.409809|2.326601|2.576899|4.305220|2.003623|1.882104|14.539040|1.649867|1.552623|0.042117|1.643546|1.844572|1.903539|0.039088|0.037564|1.302828|1.192184|1.119124|1.100427|1.038797|0.999590|1.012452|1.069433|7.489473|0.500000| |17.569636|8.893341|8.193140|4.485577|4.382554|43.784515|3.413884|0.083597|3.077317|4.412431|3.438565|4.191434|2.681680|2.553852|2.765622|4.540431|2.196767|2.079227|16.238655|1.812942|1.682453|0.045081|1.784955|1.995112|2.059355|0.042645|0.040364|1.402129|1.279354|1.195414|1.180211|1.108724|1.059077|1.068792|1.132657|7.898505|0.301666|0.500000| |17.623634|9.017860|10.116898|4.858448|4.235936|36.327082|3.819528|0.089477|3.655592|4.890499|4.005936|4.745309|2.886202|2.679682|2.915794|4.679187|2.253747|2.138927|17.129683|1.843993|1.702536|0.046161|1.782135|2.013884|2.066284|0.042362|0.040399|1.418156|1.284999|1.207515|1.190574|1.122944|1.077436|1.088729|1.150257|8.056904|0.300216|0.300059|0.500000| |3.857047|5.469247|7.787247|8.773165|17.801462|54.891581|6.568057|0.206544|4.725120|6.699005|3.908321|4.362082|3.092610|3.468480|4.533141|8.829795|2.942633|2.502282|17.456106|2.138176|2.115506|0.057355|2.409860|2.896220|2.514106|0.051192|0.050610|1.645546|1.486826|1.353558|1.294897|1.197915|1.156971|1.196672|1.293336|8.488406|0.099413|0.099452|0.095099|0.500000| |2.985598|3.623902|6.398098|5.501442|4.229586|23.003564|8.819394|0.213970|17.569287|9.613314|5.871087|6.070382|3.994241|4.206891|5.436668|8.947563|3.314668|2.871165|21.291679|2.370779|2.304910|0.066225|2.433888|3.014446|2.652726|0.051946|0.052693|1.798732|1.580875|1.469733|1.398071|1.308861|1.283353|1.336492|1.431687|9.467984|0.076942|0.073591|0.085770|0.110842|0.500000| |3.466961|4.387410|7.687697|6.860782|5.328196|28.300256|8.889555|0.216882|17.580464|7.593937|4.716134|4.919226|3.221592|3.381507|4.340902|7.562985|2.756051|2.414077|17.797480|2.041652|1.994237|0.056359|2.136296|2.578589|2.346845|0.046549|0.046903|1.589089|1.419863|1.321385|1.263680|1.186020|1.160762|1.203621|1.284903|8.608119|0.091673|0.082698|0.096669|0.135834|0.300994|0.500000| |3.913283|4.794624|9.270590|6.808729|4.731134|27.139943|8.720477|0.173492|17.600040|9.137049|6.665628|6.468689|3.865414|3.777548|4.629458|7.262426|2.958502|2.652106|20.663566|2.198110|2.082663|0.058674|2.182955|2.627987|2.432538|0.048312|0.047928|1.660553|1.470544|1.374985|1.324633|1.244966|1.213029|1.249883|1.330525|9.001337|0.099194|0.091986|0.116577|0.113526|0.299954|0.302745|0.500000| |4.343411|5.177112|10.284309|6.557278|4.538261|27.402476|7.377536|0.147197|6.850905|12.602399|17.801344|12.817837|5.952202|5.079375|5.702311|7.816806|3.680610|3.371485|28.663404|2.667467|2.408791|0.066416|2.499675|3.022843|2.767323|0.055500|0.053427|1.879092|1.640175|1.525134|1.481691|1.382376|1.329509|1.358854|1.453006|9.791178|0.101182|0.107005|0.135242|0.106523|0.163868|0.141978|0.232625|0.500000| |1.719633|1.857230|2.773995|2.127004|1.973417|12.581646|2.353598|0.064917|2.158809|3.886481|2.920595|4.679428|4.400507|4.350984|3.307437|5.371520|5.757225|8.920770|45.713798|17.568561|8.804866|0.219139|5.498593|4.843168|9.144827|0.167254|0.141071|6.595256|4.379916|3.782108|3.546201|2.995088|2.733706|2.830277|3.282669|18.164437|0.043690|0.047683|0.049016|0.054368|0.062941|0.053922|0.058574|0.070578|0.500000| |1.795672|1.945147|2.865688|2.205880|2.083778|13.381611|2.379521|0.065993|2.118236|3.916788|2.899206|4.577232|4.316471|4.424199|3.382718|5.561375|6.056755|8.883565|42.070022|17.475450|8.824745|0.173995|6.595706|5.284076|9.818882|0.220071|0.148914|5.796372|4.248477|3.471505|3.316199|2.752861|2.460783|2.515906|2.925996|16.453575|0.045394|0.050464|0.050589|0.057653|0.060448|0.053240|0.057236|0.069954|0.302606|0.500000| |1.667745|1.864154|2.747687|2.238604|2.190861|13.492305|2.481113|0.073681|2.188471|3.857627|2.577776|3.670202|3.303462|4.024451|3.568432|6.779335|5.558474|4.938956|24.186156|5.484588|8.807337|0.210494|17.525155|8.843043|9.756347|0.179100|0.228142|4.688696|3.870896|3.014847|2.620296|2.228461|2.125231|2.314634|2.762661|14.358993|0.042928|0.046133|0.045951|0.063776|0.063519|0.056368|0.056494|0.062634|0.123102|0.138350|0.500000| |1.818783|2.027048|2.972002|2.392118|2.338009|14.587204|2.589880|0.075239|2.232370|4.140030|2.823574|4.121760|3.809382|4.576967|3.827370|6.915372|6.631511|6.216614|28.891296|6.965428|8.882761|0.173752|17.515652|8.834720|9.477189|0.209927|0.180560|4.550709|3.719987|2.921794|2.652216|2.240439|2.079076|2.196357|2.580341|14.097472|0.046282|0.050930|0.050077|0.067079|0.063516|0.056942|0.058384|0.067914|0.140409|0.198288|0.301804|0.500000| |2.125626|2.471647|3.729144|3.183354|3.101076|18.054000|3.621050|0.110808|2.958028|5.877000|3.625463|4.969047|4.628442|6.689482|6.266354|12.944367|8.915875|5.807464|29.071645|4.863788|5.535713|0.139864|8.850011|17.628351|5.615452|0.111504|0.113279|3.192972|2.682342|2.261356|2.071248|1.823986|1.739262|1.843712|2.100084|12.150453|0.053833|0.058405|0.058043|0.091429|0.084608|0.074621|0.074350|0.084511|0.108310|0.123309|0.207092|0.220635|0.500000| |1.938444|2.223169|3.400956|2.857545|2.699022|15.816524|3.398760|0.103160|2.951277|5.520247|3.485470|4.855150|4.549237|6.357387|5.690593|11.198933|8.934830|6.085762|29.609589|5.233441|6.553752|0.193729|8.798708|17.548719|6.155952|0.112601|0.125580|3.575159|2.900412|2.458887|2.203573|1.945427|1.883530|2.031571|2.330357|13.087759|0.049523|0.052593|0.053772|0.078461|0.088389|0.073976|0.074098|0.081522|0.121530|0.120497|0.220256|0.173979|0.306105|0.500000| |1.386528|1.492646|2.195074|1.702159|1.619370|10.372073|1.873380|0.053049|1.757046|2.913638|2.108277|3.150573|2.736380|2.876442|2.452798|4.266812|3.582416|4.095000|23.068345|5.631943|6.967811|0.216799|4.658174|3.731164|12.402129|0.180846|0.218554|17.629916|8.768136|6.866759|5.060647|3.993580|3.826247|4.435632|6.058467|23.242559|0.035908|0.038330|0.039111|0.045516|0.051621|0.045119|0.047085|0.052633|0.175567|0.137065|0.125717|0.113881|0.087138|0.102968|0.500000| |1.437543|1.535346|2.244979|1.719686|1.635058|10.605266|1.862999|0.052092|1.730105|2.929213|2.161674|3.298552|2.878346|2.930534|2.441300|4.158569|3.645425|4.477109|25.771802|6.833806|6.719908|0.170058|4.506028|3.583018|12.359770|0.222998|0.181097|17.662815|8.790859|6.899682|6.061386|4.442085|3.838877|4.013712|5.093535|23.301478|0.037024|0.040087|0.040627|0.045558|0.050142|0.044247|0.046845|0.053954|0.226199|0.187131|0.113630|0.119757|0.085114|0.093179|0.301442|0.500000| |1.277808|1.360112|1.955776|1.503752|1.461734|9.589563|1.599346|0.045240|1.482121|2.439664|1.769303|2.615076|2.211611|2.303459|2.018147|3.545384|2.771897|3.095642|18.321166|4.075112|4.543882|0.114096|3.752086|2.920926|9.512243|0.210058|0.181519|8.850091|17.537182|8.886279|7.146387|4.728333|3.987475|4.212258|5.666555|23.588493|0.033199|0.035844|0.035720|0.041173|0.042533|0.038546|0.039937|0.044850|0.114146|0.120706|0.103789|0.105541|0.073441|0.076385|0.172964|0.211193|0.500000| |1.240872|1.329250|1.921141|1.490715|1.449169|9.408703|1.604420|0.045815|1.497733|2.428407|1.738406|2.537901|2.143606|2.274448|2.022326|3.606957|2.740190|2.957544|17.261696|3.767100|4.608164|0.125211|3.828834|2.993717|9.501639|0.173325|0.218057|8.848404|17.534220|8.886495|5.670873|4.214045|3.987578|4.726124|7.138359|23.589033|0.032369|0.034552|0.034658|0.041100|0.043388|0.039086|0.040057|0.044054|0.105581|0.103448|0.112394|0.101224|0.074588|0.081343|0.211164|0.173194|0.302706|0.500000| |1.208270|1.266803|1.816729|1.372174|1.322532|8.799228|1.450032|0.040403|1.363728|2.208803|1.641502|2.454073|2.028652|2.028848|1.776856|3.060016|2.342447|2.683534|17.209755|3.382227|3.331831|0.087252|2.757615|2.329194|5.700214|0.120509|0.104629|5.572481|6.982322|8.888338|17.697575|8.969136|5.671857|4.954471|5.649618|31.696762|0.031436|0.033943|0.034068|0.036799|0.039055|0.035435|0.037263|0.042123|0.102171|0.100196|0.073749|0.077349|0.058986|0.061469|0.129083|0.174178|0.213947|0.143583|0.500000| 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