Version2.4 2021-05-26T07:27:00Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 07-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccccc1C(=O)N2CCC[C@H]2c3nnc(n3C)SCC(=O)Nc4ccc(cc4)Br C20282453 RHF 6-31G(d) (6D,7F) Cc1ccccc1C(=O)N2CCC[C@H]2c3nnc(n3C)SCC(=O)Nc4ccc(cc4)Br C01[X(C23H24Br1N5O2S1)] 162 C1 547 O=C(Nc1ccc(cc1)Br)CSc1nnc(n1C)[C@@H]1CCCN1C(=O)c1ccccc1C O=C(Nc1ccc(cc1)Br)CSc1nnc(n1C)[C@@H]1CCCN1C(=O)c1ccccc1C Cn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1[C@@H]3CCCN3C(=O)c4ccccc4C InChIKey=AYWGRDBZSQNHJZ-IBGZPJMESA-N InChI=1S/C23H24BrN5O2S/c1-15-6-3-4-7-18(15)22(31)29-13-5-8-19(29)21-26-27-23(28(21)2)32-14-20(30)25-17-11-9-16(24)10-12-17/h3-4,6-7,9-12,19H,5,8,13-14H2,1-2H3,(H,25,30)/t19-/m0/s1 InChI=1/C23H24BrN5O2S/c1-15-6-3-4-7-18(15)22(31)29-13-5-8-19(29)21-26-27-23(28(21)2)32-14-20(30)25-17-11-9-16(24)10-12-17/h3-4,6-7,9-12,19H,5,8,13-14H2,1-2H3,(H,25,30)/t19-/m0/s1/f/h25H Cc1ccccc1C(=O)N2CCC[C@H]2c3nnc(n3C)SCC(=O)Nc4ccc(cc4)Br C01[X(C23H24Br1N5O2S1)] 162 C01 547 O=C(Nc1ccc(cc1)Br)CSc1nnc(n1C)[C@@H]1CCCN1C(=O)c1ccccc1C O=C(N[C]1[CH][CH][C]([CH][CH]1)Br)CS[C]1[N][N][C](N1C)[C@@H]1CCCN1C(=O)[C]1[CH][CH][CH][CH][C]1C C[C]1[CH][CH][CH][CH][C]1C(=O)N2CCC[C@H]2[C]3[N][N][C](SCC(=O)N[C]4[CH][CH][C](Br)[CH][CH]4)N3C InChIKey=AYWGRDBZSQNHJZ-IBGZPJMESA-N InChI=1S/C23H24BrN5O2S/c1-15-6-3-4-7-18(15)22(31)29-13-5-8-19(29)21-26-27-23(28(21)2)32-14-20(30)25-17-11-9-16(24)10-12-17/h3-4,6-7,9-12,19H,5,8,13-14H2,1-2H3,(H,25,30)/t19-/m0/s1 InChI=1/C23H24BrN5O2S/c1-15-6-3-4-7-18(15)22(31)29-13-5-8-19(29)21-26-27-23(28(21)2)32-14-20(30)25-17-11-9-16(24)10-12-17/h3-4,6-7,9-12,19H,5,8,13-14H2,1-2H3,(H,25,30)/t19-/m0/s1/f/h25H 3502.4997116084 -4274.3381875 1-A 38545.1349 132 415 547 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.06123 -91.96684 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2.7485 2.2914 2.8662 2.7392 1.9964 2.6500 1.8551 1.4412 2.5587 1.7402 2.3340 2.0651 1.1246 1.1639 2.5547 3.6794 1.4449 1.7341 2.1227 2.4873 1.5545 1.4952 1.4331 1.3197 1.7850 1.6564 1.5521 1.5084 1.4296 3.5118 2.6082 5.1725 1.2531 1.7842 1.1076 1.7965 1.7713 1.1089 1.1049 1.1646 1.1003 1.1237 1.0776 1.9295 2.1986 1.2730 4.7078 2.3225 9.1088 5.7583 3.5531 5.3458 5.3806 11.8799 9.1903 1.0384 1.0688 1.0684 1.0422 1.0658 1.0597 1.0873 1.1012 1.0983 1.1028 1.1034 1.1008 1.1068 1.0993 1.0912 1.0874 1.0905 1.0946 1.1038 1.0987 1.0930 1.0949 1.0936 1.0782 0.0002 0.0006 0.0015 0.0017 0.0042 0.0047 0.0066 0.0094 0.0169 0.0134 0.0118 0.0162 0.0224 0.0176 0.0209 0.0217 0.0210 0.0737 0.0781 0.1082 0.0927 0.1494 0.1674 0.2549 0.2368 0.1444 0.1446 0.2338 0.3360 0.3748 0.4035 0.5477 0.5592 0.7485 0.3830 0.3743 0.6091 0.6376 1.0390 0.7567 0.2761 0.4063 1.0363 0.8789 0.5563 0.5041 1.9040 1.2235 2.0297 1.5238 1.5303 2.8058 1.7470 1.2063 2.1852 1.5185 1.9887 0.7404 2.0104 2.5851 2.0832 1.5041 0.7095 2.6134 1.0849 0.7675 0.9694 0.8578 1.5265 1.4213 1.1919 3.5663 1.4195 1.0629 0.9660 2.2186 1.2323 3.2624 1.0054 1.4135 1.0283 1.8562 1.2369 2.2717 1.9589 2.4715 2.3954 1.7796 2.3953 1.7320 1.3621 2.4289 1.6542 2.2824 2.0647 1.1259 1.1812 2.6136 3.8345 1.5138 1.8430 2.3418 2.8211 1.7913 1.7997 1.7499 1.6428 2.2691 2.1693 2.0353 1.9951 1.9490 4.8900 3.7224 7.4188 1.8205 2.6816 1.6757 2.7344 2.7699 1.7398 1.7460 1.8444 1.7539 1.8046 1.7552 3.1681 3.6200 2.1083 7.9237 4.0277 16.5274 10.7079 6.7394 10.2270 10.3599 25.1724 21.1613 6.3364 6.5296 6.5647 6.4450 6.6401 6.6569 6.8415 6.9686 6.9532 7.0744 7.1148 7.1317 7.1718 7.1493 7.2331 7.2176 7.2844 7.3545 7.4179 7.4407 7.4486 7.4765 7.7446 9.4920 0.2462 0.4595 0.2601 0.1658 1.3829 2.1542 3.5602 3.3750 1.9482 0.3238 14.1296 1.8716 1.0246 4.8216 0.4851 1.2063 0.2980 0.9406 3.7687 6.7187 0.6909 7.9690 0.7628 2.4617 2.8986 12.4723 1.0677 2.0467 3.2680 4.5923 0.0195 0.8820 9.6797 21.9413 2.9925 0.4019 4.3255 11.9362 7.1037 1.2946 103.9544 5.7123 2.0223 1.1664 3.9904 1.5983 0.1243 0.9326 0.0531 21.1075 16.7838 2.2138 10.1467 0.1140 41.6762 4.6816 13.3078 53.1486 38.3472 1.5087 27.3284 12.4887 33.5295 3.1468 4.1482 46.8258 13.7759 6.2288 0.9762 0.7581 10.9524 8.1214 5.9091 1.6346 0.1449 1.1201 0.1536 27.4042 1.0591 12.9983 1.4360 1.0073 1.6848 38.7062 14.8150 3.3985 8.4575 3.7418 20.6062 58.2048 9.7988 0.4882 27.0179 130.9623 17.0705 0.4366 5.5527 4.2544 7.0026 5.6239 2.0439 68.1505 334.6624 13.3806 3.2919 8.5151 18.3536 9.8184 42.4522 16.9845 32.7007 12.7320 65.0920 122.1428 483.1565 11.0052 53.0221 19.0166 7.4323 32.6273 15.4437 0.5476 20.6252 10.3653 7.5759 10.4017 21.1634 149.0867 10.6743 115.8263 631.9515 36.4797 9.5851 151.5248 47.2928 12.5757 361.2566 205.4697 26.1866 37.0093 31.1877 37.5605 26.0071 17.7154 23.6612 42.7934 26.0697 15.4864 20.9396 32.0438 0.2229 14.9293 18.2654 4.4192 6.2725 36.9449 0.6905 23.2955 2.9859 3.6348 3.4331 33.8770 1.6473 8.3573 1.9236 1.1196 0.8803 1.8863 1.5237 1.7326 1.0174 0.7072 0.6123 4.0632 0.7077 0.0810 0.7621 0.6243 1.1960 0.6656 1.5152 1.6610 1.0178 0.9004 0.5628 0.5455 0.6892 2.7336 0.8332 0.7096 1.2625 1.4646 2.2864 1.4756 1.7393 2.6225 1.1880 0.0375 1.2113 0.6278 2.5602 1.8109 0.7597 1.7387 5.8961 1.2266 1.1775 0.3670 10.8850 4.3753 5.1810 3.5743 4.3988 0.6489 2.4746 1.6168 13.5823 7.6607 6.1868 4.4020 1.9043 7.4029 5.0750 0.5625 2.5858 34.8170 6.0533 1.0308 2.1944 2.6922 13.1360 4.3634 1.6195 3.8912 3.2992 2.3587 2.0990 2.7557 2.2841 4.8642 1.0520 9.2032 0.9286 19.8188 0.4343 16.7015 3.2981 5.2260 5.1563 15.2851 4.8623 2.4497 9.0974 1.3972 1.3013 10.9643 2.2905 10.5056 23.0982 11.3278 3.1971 5.0756 5.8197 2.2568 35.5668 11.9502 3.0771 6.2773 1.1403 2.5272 8.3611 7.8715 2.3264 4.6391 8.2965 1.6449 4.0465 7.2639 16.1558 6.4406 1.9484 42.8142 14.0012 19.2839 15.2010 20.5714 10.5977 12.3503 2.4171 6.5985 4.2509 36.7111 15.7866 49.3523 12.4982 2.2098 173.3027 35.0593 19.5151 28.2769 102.7302 101.7291 28.8067 122.5694 81.1114 56.9056 50.4582 64.2568 150.0733 61.1203 51.2875 73.1481 29.9247 68.3008 68.8281 48.2100 111.6474 57.8723 58.3620 229.0143 65.8585 95.3898 57.2656 57.0773 0.7477 0.7499 0.7385 0.7487 0.7474 0.7498 0.7302 0.7347 0.6106 0.5344 0.7142 0.7394 0.6247 0.7489 0.2049 0.7491 0.1933 0.7498 0.7325 0.7429 0.7102 0.4974 0.7440 0.3520 0.3993 0.7259 0.7416 0.2299 0.1439 0.4802 0.7499 0.2955 0.7441 0.6787 0.6593 0.7491 0.7302 0.1677 0.3153 0.1981 0.7500 0.7500 0.4535 0.4820 0.2333 0.7377 0.4199 0.0732 0.6142 0.2933 0.4968 0.2627 0.1297 0.7479 0.1426 0.0223 0.1882 0.2443 0.7443 0.4394 0.1616 0.3611 0.7493 0.1408 0.2976 0.7497 0.6735 0.7499 0.1944 0.1299 0.7450 0.3084 0.7452 0.7169 0.7499 0.7404 0.1565 0.1314 0.7497 0.5521 0.3590 0.1410 0.7258 0.1317 0.1969 0.7490 0.7494 0.4482 0.1609 0.6230 0.2794 0.2737 0.7115 0.3433 0.3100 0.7485 0.1697 0.1672 0.7087 0.5932 0.3804 0.5914 0.1847 0.6932 0.6723 0.7091 0.7312 0.4989 0.3508 0.5347 0.6382 0.6551 0.5088 0.6772 0.7466 0.5713 0.1998 0.6726 0.7500 0.3627 0.6736 0.6829 0.6467 0.7321 0.6974 0.6852 0.7139 0.2882 0.4205 0.2821 0.4110 0.2912 0.3636 0.7075 0.4489 0.6996 0.2021 0.2281 0.0133 0.1846 0.3405 0.0618 0.2338 0.0286 0.3423 0.7500 0.2061 0.7255 0.6988 0.4207 0.7453 0.5619 0.3589 0.7128 0.6100 0.4527 0.5627 0.1118 0.3670 0.2205 0.2098 0.1533 0.8557 0.8571 0.8496 0.8563 0.8554 0.8570 0.8440 0.8471 0.7583 0.6966 0.8333 0.8502 0.7690 0.8564 0.3400 0.8566 0.3239 0.8570 0.8456 0.8525 0.8306 0.6644 0.8532 0.5207 0.5707 0.8412 0.8516 0.3738 0.2516 0.6488 0.8571 0.4562 0.8532 0.8086 0.7946 0.8565 0.8441 0.2872 0.4794 0.3306 0.8571 0.8571 0.6240 0.6505 0.3784 0.8491 0.5914 0.1364 0.7610 0.4536 0.6638 0.4161 0.2297 0.8558 0.2496 0.0436 0.3167 0.3927 0.8534 0.6106 0.2782 0.5305 0.8567 0.2469 0.4587 0.8570 0.8049 0.8571 0.3255 0.2299 0.8539 0.4715 0.8540 0.8351 0.8570 0.8509 0.2706 0.2323 0.8569 0.7115 0.5283 0.2471 0.8411 0.2327 0.3291 0.8565 0.8567 0.6190 0.2772 0.7677 0.4367 0.4298 0.8315 0.5111 0.4733 0.8562 0.2902 0.2865 0.8295 0.7447 0.5511 0.7433 0.3118 0.8188 0.8040 0.8298 0.8447 0.6657 0.5194 0.6969 0.7791 0.7916 0.6744 0.8075 0.8549 0.7272 0.3330 0.8043 0.8571 0.5324 0.8050 0.8115 0.7854 0.8453 0.8217 0.8132 0.8331 0.4475 0.5921 0.4401 0.5825 0.4511 0.5332 0.8287 0.6197 0.8232 0.3363 0.3715 0.0263 0.3117 0.5080 0.1164 0.3790 0.0555 0.5100 0.8571 0.3418 0.8409 0.8227 0.5923 0.8540 0.7195 0.5282 0.8323 0.7578 0.6232 0.7201 0.2011 0.5369 0.3614 0.3468 0.2658 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 6 6 6 6 6 6 6 6 8 7 6 6 6 6 1 6 7 7 6 7 6 16 6 6 8 7 6 6 6 6 6 6 35 1 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 14.00307 14.00307 12.00000 14.00307 12.00000 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 78.91834 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 6858.6395 70783.7714 73232.7114 0.99998 -0.00554 0.00002 0.00554 0.99998 0.00272 -0.00003 -0.00272 1.00000 1 0.01263 0.00122 0.00118 0.26313 0.02550 0.02464 9.31 23.71 30.30 33.59 47.12 51.99 65.05 73.12 92.59 109.90 118.37 130.46 142.94 163.47 194.38 199.30 200.16 217.07 246.98 283.62 290.09 336.57 357.84 382.08 387.95 403.70 419.80 439.35 447.94 478.79 515.52 573.32 586.70 594.35 614.50 663.44 703.95 718.43 753.42 787.35 800.10 829.98 836.04 855.03 898.09 924.33 957.76 960.06 999.10 1031.78 1056.76 1119.47 1125.87 1142.14 1150.27 1160.93 1192.84 1213.71 1235.85 1242.43 1281.45 1284.01 1338.87 1360.30 1385.03 1386.80 1422.13 1432.67 1443.96 1453.64 1468.38 1520.39 1537.96 1564.13 1566.33 1569.18 1578.31 1585.60 1613.73 1615.15 1618.66 1653.55 1686.21 1704.10 1733.12 1740.60 1752.86 1769.74 1782.05 1811.21 1822.26 1826.29 1827.52 1853.57 1874.26 1875.53 1888.34 1895.88 1913.53 1918.61 1932.37 1968.80 1996.24 2012.12 2056.45 2071.29 2091.30 2113.40 2145.09 2146.47 2155.76 2188.59 2211.85 2239.31 2244.83 2259.26 2297.99 2305.56 2312.54 2343.99 2347.88 2356.28 2358.90 2366.56 2375.40 2392.24 2401.88 2405.18 2412.27 2431.77 2468.43 2524.88 2556.07 2581.50 2592.61 2600.94 2728.50 2844.30 4630.25 4632.94 4646.34 4661.39 4678.63 4698.09 4701.84 4715.27 4716.31 4747.57 4759.71 4770.92 4771.51 4780.13 4825.98 4829.06 4844.53 4858.61 4859.14 4878.06 4893.19 4898.09 4988.04 5561.43 0.478446 0.507238 0.508182 0.411178 -4273.859741 -4273.830950 -4273.830006 -4273.927009 3.253497D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE Cc1ccccc1C(=O)N2CCC[C@H]2c3nnc(n3C)SCC(=O)Nc4ccc(cc4)Br C20282453 RHF 6-31G(d) (6D,10F) C1 513.083408 |X|Y|Z| 51.738071 37.681647 185.606658 71.259793 27 6 7 16 21 5 1 |36.858105| |12.591914|36.858105| |7.584131|13.716001|36.858105| |5.013838|7.865882|13.746033|36.858105| |4.411289|6.788908|7.942688|13.778977|36.858105| |4.985665|7.874175|6.921280|7.982983|13.762441|36.858105| |7.469676|13.621208|7.977891|6.878879|7.902440|13.719824|36.858105| |6.401280|7.549948|5.041384|4.460592|5.051113|7.657352|12.672120|36.858105| |6.297983|6.319594|4.404381|3.820514|4.118110|5.562977|8.056171|15.773663|73.516695| |4.715172|5.326065|4.019354|3.764981|4.377065|6.321830|7.790655|14.093397|15.182640|53.358707| |4.100992|4.752973|3.867284|3.762241|4.414617|5.981059|6.414099|7.555087|9.426202|17.721889|36.858105| |3.428340|3.638519|3.050079|2.925712|3.267024|4.052226|4.397805|5.331868|7.709116|11.112810|12.483876|36.858105| |3.133983|3.264333|2.727022|2.622704|2.946822|3.681034|3.984193|5.228081|8.143239|10.973474|7.999508|12.466782|36.858105| |3.779324|3.921218|3.119005|2.934993|3.309562|4.341877|5.010614|7.836459|12.521411|17.699918|7.843995|7.879143|12.358272|36.858105| |3.996536|3.875466|3.044566|2.780661|3.023773|3.842895|4.646021|7.193812|13.233020|12.449287|6.104848|6.497936|8.773267|17.610196|0.500000| |3.224733|3.399464|2.802271|2.707883|3.098330|3.986520|4.305374|6.165109|11.022045|10.498449|5.392340|5.145238|7.521852|12.626611|0.248851|36.858105| |2.815834|3.066155|2.623858|2.625216|3.080433|3.894758|3.888266|4.997943|8.457031|8.354821|4.951253|4.622599|6.337111|7.722949|0.159652|14.857832|53.358707| |2.505023|2.687935|2.348583|2.356843|2.719900|3.300139|3.276824|4.013761|7.237398|6.042558|3.685105|3.488399|4.475967|5.289493|0.124585|8.901587|19.037759|53.358707| |2.597455|2.703750|2.331536|2.286259|2.572883|3.106238|3.222509|4.054691|7.853374|5.819557|3.412264|3.276139|4.196744|5.277266|0.134323|8.915723|12.175535|20.179334|36.858105| |3.034896|3.089165|2.574092|2.460098|2.740513|3.394418|3.713890|5.071068|10.318833|7.352888|3.993608|3.871062|5.155135|7.450474|0.198525|13.962445|11.934869|11.908316|14.047938|53.358707| |3.171998|3.054123|2.524354|2.345666|2.524688|3.054929|3.485178|4.699462|10.498101|6.324749|3.496087|3.454809|4.334995|6.037034|0.194220|7.495646|7.231958|7.233868|7.549576|17.831179|36.858105| |2.240461|2.288153|2.021521|1.980530|2.176379|2.520799|2.607249|3.101073|6.123074|4.251394|2.608484|2.530038|3.064380|3.626254|0.098172|4.954157|6.731429|9.518169|10.819850|9.452300|5.921969|388.023441| |1.976250|2.067722|1.872834|1.880920|2.092832|2.377603|2.361446|2.691622|5.066776|3.741593|2.395839|2.304261|2.726222|3.062632|0.080005|4.041775|6.166882|9.114703|7.121302|6.482986|3.928324|74.819854|36.858105| |1.753792|1.816615|1.668652|1.674326|1.833414|2.035675|2.025709|2.256146|4.260137|3.092123|2.016036|1.951226|2.251959|2.485341|0.066339|3.088638|4.532697|5.944345|4.685523|4.873794|3.206500|49.687304|12.542343|36.858105| |1.721802|1.758223|1.612942|1.602403|1.732460|1.915960|1.934339|2.156872|4.133878|2.924054|1.898854|1.848465|2.123144|2.355383|0.064149|2.869868|4.052802|5.105282|4.231124|4.628573|3.208256|47.363531|7.980424|15.936748|73.516695| |1.609781|1.681930|1.565667|1.588826|1.743508|1.909188|1.869531|2.041213|3.782766|2.811314|1.872300|1.808752|2.055465|2.220302|0.058744|2.693957|4.036418|5.107123|3.757424|4.055765|2.659572|34.089536|7.951547|13.988150|14.931288|53.358707| |1.451592|1.509340|1.418865|1.440437|1.564705|1.688887|1.654556|1.782049|3.295593|2.441907|1.645757|1.595713|1.785937|1.908938|0.050962|2.248934|3.311307|3.998498|2.955955|3.345554|2.257912|25.931945|5.049758|7.622483|11.551120|18.417574|36.858105| |1.393803|1.433785|1.348390|1.358484|1.459626|1.569537|1.554222|1.673217|3.122944|2.275146|1.529879|1.489892|1.660367|1.779976|0.048160|2.069326|2.974484|3.525181|2.683458|3.114551|2.163994|24.024758|4.211071|6.270262|11.676991|10.505309|13.701765|36.858105| |1.270876|1.305335|1.237150|1.248439|1.333338|1.419601|1.403241|1.495374|2.776508|2.031427|1.379835|1.346310|1.483866|1.576563|0.042768|1.799780|2.575147|2.977443|2.245864|2.670245|1.873112|19.299866|3.234154|4.311507|7.980148|6.977910|7.938726|13.750761|36.858105| |1.209530|1.249841|1.191977|1.210948|1.296127|1.371494|1.344246|1.421052|2.612731|1.938302|1.329623|1.295726|1.418816|1.493856|0.040278|1.694291|2.447457|2.801965|2.069940|2.471318|1.717295|17.169904|2.913554|3.675863|6.426113|6.202929|6.866640|7.933020|13.802057|36.858105| |1.245701|1.297818|1.238818|1.266858|1.366767|1.447547|1.406235|1.484409|2.708591|2.036183|1.402174|1.362198|1.493202|1.565944|0.041831|1.786486|2.621414|3.017919|2.184310|2.578778|1.761149|17.799067|3.145722|3.889528|6.393145|7.068218|7.897500|6.851593|7.953279|13.786642|36.858105| |1.360530|1.423613|1.350363|1.382172|1.503701|1.607406|1.558070|1.657622|3.026626|2.281491|1.560307|1.511307|1.673244|1.764444|0.046825|2.048902|3.046275|3.592958|2.580012|2.971489|1.995795|21.297490|4.022835|5.152437|7.885457|10.863200|13.687472|7.937509|6.913615|7.986823|13.796701|36.858105| |1.084064|1.116452|1.072122|1.088971|1.156561|1.212678|1.189655|1.247073|2.285468|1.698232|1.174816|1.147886|1.243605|1.300361|0.035216|1.449632|2.076245|2.325395|1.717009|2.095137|1.472409|13.896996|2.258727|2.698867|4.801640|4.265903|4.076951|4.587024|6.682555|10.035134|6.686600|4.601574|2539.412838| |17.561139|8.802975|5.785254|4.240441|3.932536|4.586642|6.759020|6.697463|11.458243|7.134763|4.575810|3.941952|3.530006|4.238224|0.128623|3.427259|3.985568|3.484091|2.658772|4.322170|3.347405|16.090715|1.978991|1.747881|3.051065|2.177732|1.439787|1.382049|1.258873|1.197369|1.233317|1.348175|36.500976|0.500000| |17.598085|8.857118|6.022347|4.350356|3.962962|4.521029|6.493481|6.216935|12.584863|6.071422|3.693014|3.156852|3.021587|3.751437|0.112502|3.318391|3.893918|3.534407|2.755776|4.411254|3.496355|17.129341|2.086874|1.855931|3.263692|2.297319|1.519399|1.465745|1.331800|1.259965|1.292498|1.413541|38.310507|0.303453|0.500000| |17.583437|8.878959|7.337942|4.786885|3.976312|4.176375|5.559309|4.721412|8.265170|5.133683|3.460124|2.982516|2.708608|3.136551|0.091743|2.727161|3.308536|2.986158|2.265779|3.529305|2.715769|14.199966|1.782631|1.602993|2.808109|2.017010|1.348373|1.300291|1.193641|1.138862|1.169865|1.269486|34.974345|0.301868|0.300692|0.500000| |7.079308|8.941311|17.710481|8.943133|5.656212|4.976533|5.662082|4.097813|6.688999|4.593813|3.270923|2.700359|2.427573|2.733968|0.075550|2.468560|3.140952|2.851494|2.098863|3.142119|2.305616|13.191720|1.717306|1.548672|2.680195|1.981446|1.329684|1.271899|1.173107|1.130154|1.169227|1.266774|34.800420|0.149569|0.158325|0.227545|0.500000| |4.100603|5.621169|8.926173|17.713347|8.916765|5.660976|4.954816|3.563370|5.607966|4.241364|3.160582|2.551903|2.301101|2.522534|0.066795|2.357566|3.144294|2.866645|2.042018|2.950897|2.077168|12.804249|1.728923|1.557186|2.654133|2.027304|1.361799|1.287290|1.190527|1.159380|1.211967|1.314402|35.699331|0.098270|0.101195|0.114200|0.216373|0.500000| |3.532253|4.908754|5.641718|8.899841|17.723436|8.915000|5.630825|4.120500|6.159717|5.139489|3.905336|2.984907|2.723608|2.978000|0.075005|2.860446|3.991526|3.573226|2.442307|3.454935|2.311925|14.833914|2.053644|1.807201|3.015158|2.368162|1.566674|1.453393|1.332005|1.303535|1.382118|1.519152|39.638106|0.089644|0.090318|0.090529|0.124228|0.214100|0.500000| |4.069558|5.622001|4.976915|5.665942|8.928237|17.715112|8.930883|7.148066|9.378194|9.200448|6.437206|4.300152|4.035966|4.723407|0.110505|4.522035|6.338458|5.220990|3.465114|5.045311|3.183338|19.415364|2.621157|2.202668|3.633282|2.819764|1.812872|1.665917|1.498342|1.450933|1.543274|1.728234|43.343382|0.108394|0.106201|0.096002|0.107921|0.124314|0.215210|0.500000| |4.640489|5.554779|4.528398|4.326155|4.921055|6.430103|7.129766|7.069691|8.845963|12.314203|17.646624|8.696185|5.709123|5.786448|0.140031|4.267836|5.353015|4.229770|2.937333|4.617870|3.099864|16.589648|2.150514|1.842526|3.108371|2.341443|1.528072|1.429261|1.297711|1.252615|1.316294|1.454014|37.929033|0.144882|0.110117|0.109574|0.105189|0.099490|0.117060|0.172268|0.500000| |3.525603|4.211569|3.622452|3.729408|4.611609|6.164721|5.700546|6.140540|8.057497|12.299742|17.562013|8.807192|6.808033|6.392735|0.136530|5.126598|7.089309|5.231819|3.401632|5.158252|3.209867|18.462317|2.461660|2.060265|3.406842|2.634409|1.696612|1.562090|1.408830|1.365876|1.451557|1.620820|40.977071|0.104466|0.089726|0.084577|0.084896|0.088102|0.118463|0.205712|0.301491|0.500000| |3.652170|3.690537|3.064498|2.850199|3.066676|3.713515|4.224457|5.072453|7.596973|9.446060|8.849650|17.542161|8.791814|6.761394|0.180040|4.459029|5.269029|4.171209|2.981455|4.860389|3.367309|16.855828|2.127829|1.828302|3.116243|2.299701|1.502350|1.415849|1.284500|1.232844|1.287509|1.419655|37.363400|0.121701|0.092242|0.088797|0.076682|0.069335|0.076874|0.104529|0.219052|0.174255|0.500000| |2.951836|3.158079|2.757365|2.706538|3.021253|3.597436|3.715280|4.198715|6.238211|7.887939|8.722454|17.583073|8.697954|5.640060|0.133716|4.230731|5.522242|4.295686|2.911341|4.489648|2.942898|16.369453|2.149506|1.837360|3.083430|2.347236|1.530981|1.426124|1.295666|1.254706|1.323072|1.462755|37.986854|0.092172|0.075481|0.073269|0.068568|0.066809|0.078642|0.106895|0.195572|0.218143|0.301182|0.500000| |2.859695|2.878155|2.433660|2.319782|2.546064|3.079791|3.360703|4.291935|7.105536|7.945523|5.687784|8.664577|17.584907|8.720526|0.222698|6.226348|7.099523|5.470815|3.921182|6.543743|4.281700|21.152712|2.611502|2.188115|3.707497|2.708757|1.739975|1.630292|1.460263|1.392017|1.456954|1.625437|41.645446|0.090061|0.077402|0.069745|0.061323|0.057294|0.065729|0.091621|0.125929|0.137591|0.215533|0.195765|0.500000| |2.783163|2.969600|2.547172|2.515198|2.879949|3.558037|3.647577|4.557395|7.132901|9.000766|6.878835|8.841978|17.614943|8.829392|0.175862|7.425460|10.175392|6.849093|4.388471|6.814052|3.977709|22.432019|2.910514|2.371514|3.909932|2.974185|1.884728|1.731438|1.543291|1.483215|1.574420|1.775576|44.023505|0.084523|0.074979|0.067644|0.062908|0.061830|0.075664|0.112518|0.138626|0.191611|0.173853|0.217713|0.301763|0.500000| |3.828841|3.577530|2.861264|2.593227|2.758860|3.382971|4.054522|5.739796|14.310572|7.225651|3.820809|3.683848|4.428032|6.534890|0.229368|6.938109|6.606141|6.191011|5.793997|12.512600|17.693534|32.811052|3.344004|2.793767|4.958724|3.234833|2.048857|1.968362|1.725304|1.593330|1.633430|1.834636|46.972124|0.113499|0.120040|0.088707|0.072341|0.063036|0.068800|0.095388|0.095624|0.094498|0.102047|0.085290|0.118944|0.108566|0.500000| |2.874474|2.729055|2.286723|2.125923|2.268002|2.697665|3.051695|3.991537|8.416673|5.608275|3.257292|3.384058|4.310698|5.513642|0.184454|6.291078|6.357772|6.296724|6.156234|12.357141|17.587395|36.945768|3.579922|3.000293|5.395473|3.416176|2.156154|2.082491|1.814130|1.663014|1.698019|1.911457|48.802343|0.085804|0.086452|0.069591|0.058685|0.052790|0.058094|0.077840|0.080463|0.082734|0.093152|0.080909|0.125761|0.108780|0.297636|0.500000| |2.935343|2.829389|2.386092|2.229047|2.381836|2.820791|3.161814|4.031366|8.984320|5.226446|2.995271|2.912673|3.510189|4.591958|0.140465|5.683225|6.161914|6.666601|7.145681|12.504309|17.644880|49.206268|4.232845|3.533079|6.473135|3.883747|2.419728|2.347580|2.014134|1.823271|1.854387|2.104156|52.876650|0.083810|0.091357|0.070889|0.061062|0.055335|0.061049|0.081187|0.075329|0.077966|0.078955|0.070553|0.096068|0.092090|0.302598|0.300732|0.500000| |1.901882|1.994239|1.808677|1.823023|2.036893|2.316104|2.286908|2.611184|4.818078|3.732706|2.433676|2.379573|2.852267|3.102795|0.079987|4.093466|6.507498|9.701778|6.762670|6.263167|3.701975|56.472032|17.614186|8.862503|10.973927|9.691894|4.725398|3.871970|3.054004|2.816693|3.092314|3.952872|74.955013|0.053377|0.055152|0.047737|0.046043|0.046602|0.055778|0.071533|0.060134|0.070052|0.060492|0.062282|0.076301|0.086509|0.087670|0.096575|0.106067|0.500000| |2.059882|2.193247|1.996325|2.028129|2.285083|2.597382|2.531567|2.845755|5.299783|3.912702|2.502822|2.349024|2.736827|3.106033|0.079795|4.097762|6.459506|9.532670|6.759930|6.301816|3.745395|56.471172|17.611089|8.859052|10.953675|9.710736|4.729128|3.873157|3.054589|2.817495|3.093842|3.956023|74.967979|0.056738|0.060319|0.051483|0.050489|0.051698|0.062712|0.080497|0.062505|0.072360|0.059821|0.060849|0.071313|0.081530|0.091458|0.092397|0.110754|0.303530|0.500000| |1.628808|1.719060|1.603916|1.641013|1.818002|1.992443|1.927149|2.096069|3.833544|2.912679|1.954470|1.880314|2.135807|2.288618|0.059725|2.789154|4.299015|5.473410|3.825295|4.093860|2.618582|32.177818|7.825151|9.476596|10.883524|26.053011|9.348466|5.744659|4.293066|4.095294|4.934978|7.676897|99.453388|0.044982|0.047131|0.041585|0.041233|0.042714|0.050744|0.060708|0.049670|0.056749|0.048372|0.050036|0.056972|0.063873|0.065402|0.068399|0.076559|0.214496|0.215374|0.500000| |1.448071|1.478911|1.382781|1.383175|1.480803|1.600234|1.599860|1.735611|3.273680|2.349281|1.565546|1.527555|1.710626|1.850256|0.050467|2.158220|3.058257|3.638394|2.846730|3.310244|2.334838|26.586507|4.436367|6.851686|15.123454|9.515053|8.904112|17.831473|8.941985|5.658330|4.949758|5.647716|130.148600|0.039924|0.042549|0.037457|0.036267|0.036293|0.040684|0.046993|0.040608|0.044089|0.040485|0.040381|0.046837|0.049207|0.058558|0.062482|0.071461|0.110012|0.110027|0.143087|0.500000| 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