Version2.4 2021-05-21T12:44:38Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 14-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2c(c1)C(=NS2(=O)=O)NCCCC(=O)OCC(=O)c3ccccc3Br C22523796 RHF 6-31G(d) (6D,7F) c1ccc2c(c1)C(=NS2(=O)=O)NCCCC(=O)OCC(=O)c3ccccc3Br C01[X(C19H17Br1N2O5S1)] 129 C1 473 O=C(OCC(=O)c1ccccc1Br)CCCNC1=NS(=O)(=O)c2c1cccc2 O=C(OCC(=O)c1ccccc1Br)CCCNC1=NS(=O)(=O)c2c1cccc2 Brc1ccccc1C(=O)COC(=O)CCCNC2=N[S](=O)(=O)c3ccccc23 InChIKey=IRVNWVHEHXRSBB-UHFFFAOYSA-N InChI=1S/C19H17BrN2O5S/c20-15-8-3-1-6-13(15)16(23)12-27-18(24)10-5-11-21-19-14-7-2-4-9-17(14)28(25,26)22-19/h1-4,6-9H,5,10-12H2,(H,21,22) InChI=1/C19H17BrN2O5S/c20-15-8-3-1-6-13(15)16(23)12-27-18(24)10-5-11-21-19-14-7-2-4-9-17(14)28(25,26)22-19/h1-4,6-9H,5,10-12H2,(H,21,22)/f/h21H c1ccc2c(c1)C(=NS2(=O)=O)NCCCC(=O)OCC(=O)c3ccccc3Br C01[X(C19H17Br1N2O5S1)] 129 C01 473 O=C(OCC(=O)c1ccccc1Br)CCCNC1=NS(=O)(=O)c2c1cccc2 O=C(OCC(=O)[C]1[CH][CH][CH][CH][C]1Br)CCC[NH][C]1=NS(=O)(=O)[C]2[C]1[CH][CH][CH][CH]2 Br[C]1[CH][CH][CH][CH][C]1C(=O)COC(=O)CCCNC2=N[S](=O)(=O)[C]3[CH][CH][CH][CH][C]23 InChIKey=IRVNWVHEHXRSBB-UHFFFAOYSA-N InChI=1S/C19H17BrN2O5S/c20-15-8-3-1-6-13(15)16(23)12-27-18(24)10-5-11-21-19-14-7-2-4-9-17(14)28(25,26)22-19/h1-4,6-9H,5,10-12H2,(H,21,22) InChI=1/C19H17BrN2O5S/c20-15-8-3-1-6-13(15)16(23)12-27-18(24)10-5-11-21-19-14-7-2-4-9-17(14)28(25,26)22-19/h1-4,6-9H,5,10-12H2,(H,21,22)/f/h21H 2923.7944882168 -4179.9522031 1-A 32150.2455 118 355 473 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.08634 -92.19213 -64.49744 -58.63650 -58.63466 -58.63449 -20.62480 -20.58106 -20.56681 -20.53691 -20.53688 -15.62167 -15.56527 -11.39487 -11.37016 -11.35756 -11.32415 -11.31152 -11.28616 -11.28344 -11.28233 -11.28204 -11.27835 -11.27450 -11.27286 -11.27166 -11.26890 -11.26832 -11.26602 -11.26242 -11.25873 -11.25241 -9.74520 -9.16455 -7.49423 -7.48550 -7.48533 -6.85054 -6.85043 -6.84985 -3.23318 -3.22898 -3.22879 -3.21862 -3.21862 -1.49513 -1.46301 -1.42847 -1.38495 -1.33399 -1.33225 -1.23736 -1.20232 -1.19299 -1.10797 -1.09198 -1.07408 -1.06825 -1.06535 -1.03855 -0.99504 -0.98574 -0.92642 -0.89751 -0.88711 -0.86800 -0.85078 -0.84574 -0.80448 -0.79848 -0.78130 -0.75564 -0.73651 -0.72168 -0.71576 -0.70599 -0.69603 -0.68709 -0.67932 -0.67630 -0.67232 -0.66562 -0.66273 -0.64828 -0.64619 -0.64133 -0.63373 -0.62328 -0.61887 -0.59611 -0.58256 -0.56884 -0.56595 -0.56026 -0.55285 -0.54977 -0.54609 -0.53645 -0.53323 -0.52512 -0.52333 -0.50970 -0.50901 -0.50779 -0.48127 -0.47855 -0.47148 -0.46242 -0.46093 -0.45257 -0.43681 -0.43116 -0.43007 -0.38978 -0.37388 -0.36879 -0.36406 -0.35227 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.06844 0.09560 0.09915 0.10952 0.14502 0.16192 0.18073 0.18930 0.20605 0.21350 0.22337 0.23838 0.24838 0.26115 0.26977 0.27005 0.27502 0.28004 0.28323 0.29939 0.30103 0.30653 0.30750 0.32166 0.32272 0.33131 0.33569 0.33895 0.34694 0.34974 0.35344 0.35415 0.37522 0.39498 0.39621 0.40743 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2.83448 2.84728 2.85167 2.87833 2.89854 2.90041 2.92016 2.93521 2.95197 2.99478 2.99921 3.00669 3.03492 3.04798 3.06507 3.06680 3.07367 3.07682 3.07962 3.08351 3.09861 3.12207 3.13256 3.14605 3.15279 3.19746 3.20908 3.22527 3.25026 3.30762 3.32971 3.36409 3.38171 3.43462 3.46985 3.49733 3.60585 3.62141 3.77108 3.80199 4.33846 4.35132 4.38625 4.43868 4.45105 4.46328 4.49014 4.49328 4.51575 4.52048 4.52957 4.53394 4.57646 4.62578 4.63470 4.68244 4.71278 4.73363 4.75945 4.79501 4.80640 4.82542 4.87109 4.92112 5.00828 5.11068 5.14662 9.30022 75.21378 11.44801 -6.0915 9.1462 -3.9878 11.6903 |XX|YY|ZZ|XY|XZ|YZ| -157.3576 -196.3462 -182.7197 47.2976 -1.7158 3.7250 |XX|YY|ZZ|XY|XZ|YZ| 21.4502 -17.5384 -3.9118 47.2976 -1.7158 3.7250 |XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| -608.4976 71.9813 36.9982 -38.7657 483.0736 -203.1926 -155.4850 0.9169 13.2124 -24.5283 |XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY| -32748.3269 -1829.8883 -1218.1001 2276.0057 -87.0601 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618.0060 631.1685 653.7641 669.1653 695.3217 702.0882 734.7895 743.9992 776.0007 782.0552 819.3336 828.0300 833.8977 853.7004 862.4823 865.2154 890.1969 959.2202 989.3769 999.2076 1039.8605 1062.1726 1075.1195 1079.8081 1093.6458 1107.1531 1115.4276 1123.6545 1128.8368 1131.3492 1138.4515 1142.2871 1156.6315 1168.6275 1190.0706 1208.0572 1221.8074 1226.7587 1230.0236 1240.8465 1250.1717 1277.5275 1282.7507 1325.4977 1326.4193 1349.1594 1365.8260 1366.4125 1396.5835 1414.9890 1417.6148 1426.5038 1432.4541 1452.3369 1461.1921 1478.4862 1549.8618 1573.1320 1596.0275 1601.1329 1612.4987 1619.7094 1634.7275 1636.9216 1646.2181 1646.6082 1669.8791 1739.5561 1751.7054 1764.7987 1797.3952 1798.8745 1821.5237 2006.5990 2036.9930 3219.9641 3226.1974 3239.5900 3248.9385 3249.1758 3266.7720 3287.6700 3328.7287 3368.9185 3372.1288 3380.7161 3382.6717 3394.8786 3396.4133 3406.2671 3409.1172 3900.6160 9.3326 7.2468 5.9064 6.2311 8.5320 7.6711 4.1989 4.9186 2.6867 5.7008 4.4958 6.7753 5.7548 6.5666 3.8933 5.8390 4.2824 3.5119 4.2772 6.7245 6.3920 7.0970 6.8046 2.5975 6.9460 1.6277 6.7095 6.4316 5.4096 6.3069 3.5723 4.8340 4.2177 4.3648 10.0519 5.3931 4.7983 3.9631 2.3464 2.7849 9.2270 8.1439 6.4488 7.0513 4.7766 6.3741 6.6169 1.2200 3.5160 3.0281 7.9844 1.2844 1.6017 5.4961 1.4379 1.3405 1.3867 8.7509 7.2762 3.3102 1.3790 1.5661 2.5790 3.4399 3.7686 3.7453 1.3470 1.3727 2.6218 2.7190 3.6957 3.4517 3.1964 3.1345 1.8519 2.6387 1.6872 1.9359 3.2181 4.6248 1.4604 1.2366 2.4492 1.8897 2.1672 1.1748 1.5453 1.4452 1.1600 1.7104 1.0668 19.2325 1.9385 1.6901 1.5771 1.8555 2.0111 1.1077 2.2030 2.2640 1.1167 1.6814 1.4152 1.0941 2.3504 6.3090 5.5056 5.6307 6.0773 7.0714 12.2733 12.7063 1.0619 1.0616 1.0611 1.1031 1.0677 1.1046 1.1077 1.0969 1.0889 1.0881 1.0918 1.0923 1.0957 1.0967 1.0972 1.0965 1.0788 0.0001 0.0002 0.0012 0.0017 0.0053 0.0094 0.0088 0.0153 0.0095 0.0318 0.0313 0.0545 0.0517 0.0743 0.0500 0.0854 0.1043 0.0983 0.1212 0.2478 0.3012 0.3694 0.3839 0.1471 0.4873 0.1158 0.5567 0.6756 0.5845 0.7327 0.4830 0.7058 0.6333 0.7022 1.9788 1.1536 1.0366 0.8918 0.5507 0.7013 2.4343 2.3198 1.8729 2.2431 1.5578 2.2615 2.3844 0.4825 1.4203 1.2406 3.4285 0.5629 0.7064 2.5661 0.7795 0.7731 0.8157 5.5751 4.8366 2.2543 0.9474 1.1036 1.8626 2.5216 2.8035 2.8119 1.0158 1.0482 2.0156 2.1431 2.9737 2.8803 2.7485 2.7569 1.6420 2.3522 1.5306 1.7826 3.0945 4.4836 1.5117 1.2818 2.6266 2.0770 2.3840 1.3501 1.8230 1.7112 1.3907 2.0678 1.3258 24.1936 2.4966 2.3919 2.2995 2.7847 3.0377 1.6969 3.4052 3.5647 1.7630 2.6847 2.2608 1.7975 4.1905 11.4061 10.1029 10.7176 11.5868 13.8236 29.1162 31.0633 6.4869 6.5103 6.5615 6.8605 6.6413 6.9454 7.0541 7.1611 7.2818 7.2898 7.3519 7.3638 7.4402 7.4541 7.5005 7.5086 9.6710 2.3140 0.1758 2.0749 0.9845 1.9636 6.1166 3.2339 0.9715 3.6744 1.3297 1.9015 0.7222 2.4223 0.0341 0.2886 2.0174 5.7361 2.2177 12.6672 1.6916 3.6749 3.0231 1.7038 31.3086 13.7601 37.5041 8.6198 10.2105 13.8464 1.7663 3.2081 11.8249 5.4397 8.9383 31.5060 11.6059 29.7623 12.4110 6.3198 25.2548 56.0374 82.3036 29.6759 28.0876 41.5786 26.6799 8.3260 4.4256 7.8458 14.7251 75.9635 49.6520 26.4007 32.6417 8.3891 0.0813 2.1360 84.4566 54.4273 20.8306 0.3091 1.5363 14.9229 4.3262 17.6883 13.4145 0.0113 0.2350 9.1524 26.0696 7.4940 65.0968 8.4562 7.5966 0.9649 14.0348 1.4980 87.9082 146.1486 285.3999 9.3794 2.3769 279.4948 30.1625 222.6937 14.5528 8.2006 25.3916 5.6706 90.2769 2.1292 288.4151 353.7860 74.1666 19.9058 73.3116 44.3655 39.8857 0.4406 61.4860 7.8039 12.1810 3.7259 31.1750 258.1470 614.5212 4.5127 15.9947 30.6414 167.3903 313.7216 166.1456 8.2787 8.5850 24.9061 2.1593 14.9920 3.8678 45.1241 7.8018 3.9718 0.2032 11.7960 8.9454 14.0109 16.0818 8.8362 6.5525 52.7972 3.8575 2.8278 1.6011 1.0981 1.3162 1.8237 2.2097 1.2139 0.2550 2.7234 3.5673 3.4782 1.6347 3.1431 2.4800 1.3555 0.9513 0.3634 0.6388 1.8760 2.5811 2.9189 1.1822 0.0847 3.8692 0.9989 3.8588 4.5788 6.4222 2.1813 0.0352 0.1358 1.3433 0.7570 4.5626 0.6950 0.5201 3.2387 1.1163 1.5531 0.5367 1.5078 4.3181 4.0228 1.5999 8.6930 4.9355 0.0140 0.2826 2.9468 2.4066 1.8539 0.0335 2.6445 0.1957 1.3261 1.5097 0.3871 11.3510 4.1625 0.3689 2.1850 4.8383 23.5420 2.3450 21.5359 0.0203 0.1473 6.9959 7.8408 1.6805 2.3321 9.6995 24.8594 0.8963 19.0743 1.5977 1.6688 22.9802 8.4839 0.2101 3.0855 7.2077 1.2459 1.8312 8.0077 4.6561 6.2743 1.9130 17.8056 29.3204 4.7531 14.4104 3.7154 6.7048 0.9339 1.1979 16.9046 3.1763 3.3248 4.1501 4.6339 9.4846 4.5081 17.1838 9.9732 10.0419 25.8989 39.3278 16.3949 2.9034 17.1636 104.5541 10.7109 75.1392 94.9783 52.5186 0.2288 13.7116 26.9195 50.3154 47.6660 82.1692 89.4448 125.0633 153.7486 195.6135 156.3053 37.0978 0.7500 0.7500 0.7483 0.7495 0.7479 0.6991 0.7496 0.7102 0.5292 0.7072 0.7499 0.6377 0.6562 0.7307 0.7373 0.7419 0.6403 0.7495 0.7500 0.6447 0.1554 0.6106 0.3713 0.7454 0.2167 0.7271 0.5452 0.2568 0.2229 0.7490 0.7273 0.7473 0.4085 0.2897 0.3209 0.7411 0.7499 0.7368 0.6553 0.6431 0.5485 0.7000 0.3777 0.1470 0.7497 0.1543 0.0552 0.7341 0.5745 0.7500 0.5830 0.7413 0.7500 0.2436 0.7164 0.7499 0.7352 0.5743 0.0191 0.6677 0.7480 0.2098 0.4381 0.1292 0.4600 0.1287 0.5904 0.6381 0.6359 0.1134 0.5525 0.5189 0.5623 0.3745 0.6330 0.2391 0.6593 0.2937 0.0502 0.4787 0.7389 0.7495 0.2226 0.4269 0.1066 0.5434 0.3821 0.6649 0.5034 0.1573 0.7483 0.7499 0.0970 0.3085 0.2993 0.7467 0.2607 0.6623 0.7134 0.2974 0.7331 0.7177 0.6159 0.5889 0.2692 0.2197 0.6593 0.6733 0.5809 0.3555 0.7495 0.4154 0.0799 0.1057 0.0631 0.7294 0.1340 0.1421 0.7095 0.4043 0.6026 0.6552 0.7256 0.7499 0.2648 0.2005 0.1382 0.1440 0.1477 0.8571 0.8571 0.8560 0.8568 0.8558 0.8229 0.8569 0.8305 0.6921 0.8285 0.8571 0.7787 0.7924 0.8444 0.8488 0.8518 0.7807 0.8568 0.8571 0.7840 0.2690 0.7582 0.5416 0.8541 0.3562 0.8420 0.7057 0.4087 0.3645 0.8565 0.8421 0.8554 0.5800 0.4492 0.4859 0.8513 0.8571 0.8485 0.7917 0.7828 0.7084 0.8235 0.5483 0.2563 0.8569 0.2673 0.1046 0.8466 0.7297 0.8571 0.7366 0.8514 0.8571 0.3917 0.8348 0.8571 0.8474 0.7296 0.0375 0.8008 0.8559 0.3468 0.6092 0.2288 0.6301 0.2281 0.7425 0.7791 0.7774 0.2037 0.7118 0.6833 0.7198 0.5449 0.7752 0.3859 0.7947 0.4540 0.0955 0.6474 0.8498 0.8568 0.3642 0.5983 0.1926 0.7041 0.5529 0.7987 0.6697 0.2719 0.8561 0.8571 0.1768 0.4715 0.4607 0.8550 0.4136 0.7968 0.8327 0.4584 0.8460 0.8356 0.7623 0.7413 0.4242 0.3603 0.7947 0.8047 0.7349 0.5245 0.8568 0.5869 0.1480 0.1911 0.1186 0.8435 0.2363 0.2489 0.8300 0.5758 0.7520 0.7917 0.8410 0.8571 0.4187 0.3341 0.2428 0.2518 0.2574 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 6 6 6 6 6 6 6 7 16 8 8 7 6 6 6 6 8 8 6 6 8 6 6 6 6 6 6 35 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 14.00307 31.97207 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 15.99491 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 4378.7709 59915.6098 60398.2843 0.99994 0.00713 0.00782 -0.00632 0.99510 -0.09862 -0.00848 0.09857 0.99509 1 0.01978 0.00145 0.00143 0.41216 0.03012 0.02988 7.13 11.01 26.79 30.91 46.90 65.78 85.93 104.67 111.63 140.10 156.29 168.04 177.64 199.43 212.32 226.68 292.58 313.59 315.48 359.84 406.88 427.62 445.21 446.08 496.48 499.99 539.92 607.49 616.11 638.87 689.25 716.25 726.34 751.81 831.65 866.90 871.24 889.17 908.11 940.62 962.78 1000.41 1010.15 1057.20 1070.45 1116.49 1125.20 1178.84 1191.35 1199.79 1228.28 1240.92 1244.85 1280.79 1380.10 1423.49 1437.64 1496.13 1528.23 1546.86 1553.60 1573.51 1592.95 1604.85 1616.69 1624.14 1627.76 1637.98 1643.50 1664.13 1681.39 1712.25 1738.12 1757.91 1765.03 1769.73 1785.30 1798.72 1838.08 1845.59 1907.10 1908.42 1941.14 1965.12 1965.96 2009.37 2035.85 2039.63 2052.42 2060.98 2089.59 2102.33 2127.21 2229.91 2263.39 2296.33 2303.67 2320.03 2330.40 2352.01 2355.17 2368.54 2369.10 2402.58 2502.83 2520.31 2539.15 2586.05 2588.18 2620.77 2887.05 2930.78 4632.81 4641.78 4661.05 4674.50 4674.84 4700.16 4730.22 4789.30 4847.12 4851.74 4864.10 4866.91 4884.47 4886.68 4900.86 4904.96 5612.12 0.364207 0.388992 0.389936 0.300929 -4179.587996 -4179.563212 -4179.562267 -4179.651274 2.985309D-04 MUNgauss RevisionA2.1 retrievium 21-May-2021 DUDE c1ccc2c(c1)C(=NS2(=O)=O)NCCCC(=O)OCC(=O)c3ccccc3Br C22523796 RHF 6-31G(d) (6D,10F) C1 464.004155 |X|Y|Z| 37.820159 33.305502 172.078314 60.069658 23 6 7 8 16 19 2 1 1 |36.858105| |13.712415|36.858105| |7.884985|13.721436|36.858105| |6.967917|8.066284|13.843556|36.858105| |8.018872|6.921607|7.895966|13.825829|36.858105| |13.733280|7.887050|6.769248|7.951306|13.775202|36.858105| |4.981020|4.507414|5.205451|8.146705|12.738462|7.280205|36.858105| |4.032457|3.969697|4.902233|7.549863|8.040847|5.152307|14.830260|53.358707| |4.242807|4.663616|6.661934|10.713083|7.427995|4.882580|7.846820|15.778675|388.023441| |3.659522|4.083330|5.586625|7.241526|5.460143|4.021376|5.663656|10.257582|94.833656|73.516695| |3.658158|4.082302|5.585913|7.240642|5.458169|4.019544|5.662093|10.259625|94.836087|13.780937|73.516695| |4.273278|3.686435|3.940891|5.310413|7.736692|6.168168|14.344127|11.346166|36.523164|7.437539|7.433190|53.358707| |3.222431|2.900311|3.121811|3.987793|4.981456|4.192004|7.795357|9.265014|30.563026|6.575140|6.578927|17.808911|36.858105| |2.866966|2.532681|2.620784|3.165800|3.903370|3.620795|5.140794|6.052191|22.977929|5.132515|5.117555|10.640469|12.504460|36.858105| |2.341146|2.127294|2.216432|2.613858|3.044951|2.822077|3.848557|4.938458|19.651257|4.514473|4.506450|6.830405|7.556255|12.494155|36.858105| |2.105121|1.904420|1.945981|2.232116|2.575553|2.479202|3.066724|3.893557|16.323106|3.798177|3.786998|5.229930|4.921465|7.556329|12.627397|36.858105| |2.152953|1.920277|1.929558|2.189519|2.553431|2.529391|2.953598|3.653155|15.563469|3.614813|3.600938|5.051658|4.406964|6.770195|7.932624|16.026411|73.516695| |1.848793|1.699706|1.745746|1.980618|2.228365|2.133685|2.616658|3.424244|14.704053|3.466907|3.458718|4.258814|3.920248|5.167957|8.145523|14.380287|15.290595|73.516695| |1.680417|1.546017|1.571905|1.754553|1.958495|1.908228|2.233669|2.911835|12.843046|3.047686|3.039776|3.558564|3.098436|3.927542|5.211728|8.174417|12.848966|24.104532|36.858105| |1.505058|1.402933|1.434574|1.590575|1.744266|1.687790|1.976289|2.627986|11.782684|2.825683|2.812864|3.064546|2.643160|3.144160|4.060685|5.270412|8.221523|14.247324|12.561639|36.858105| |1.485713|1.395735|1.439473|1.601198|1.741682|1.665403|1.988851|2.685705|12.038714|2.905417|2.877962|3.054304|2.666956|3.079534|4.043087|4.811076|7.176344|12.791888|8.005555|16.065701|73.516695| |1.370876|1.280447|1.300697|1.425342|1.553240|1.518763|1.727270|2.291304|10.458132|2.515950|2.509485|2.642195|2.211349|2.579755|3.125855|3.906764|6.599143|9.017514|7.440697|12.608497|14.378816|36.858105| |1.297048|1.215386|1.232954|1.343778|1.456597|1.427621|1.607200|2.136569|9.842822|2.391537|2.352555|2.436000|2.013918|2.314033|2.734645|3.308665|5.680500|7.240476|5.416692|7.677558|11.197699|13.696004|36.858105| |1.200116|1.127143|1.138897|1.231508|1.328373|1.309644|1.448885|1.924825|8.969701|2.182573|2.152525|2.175873|1.769305|2.006439|2.303014|2.721678|4.781684|5.673175|4.036281|5.052692|7.800361|7.894171|13.780309|36.858105| |1.167391|1.096178|1.104786|1.190881|1.283649|1.270026|1.393389|1.847639|8.642010|2.091101|2.087091|2.088166|1.687037|1.908627|2.168093|2.552908|4.533199|5.239362|3.702147|4.435650|6.773125|6.839073|7.957415|13.752266|36.858105| |1.218189|1.141337|1.150920|1.244488|1.345870|1.330394|1.466696|1.941641|9.035552|2.169529|2.191217|2.209053|1.794194|2.044487|2.342021|2.790366|4.943217|5.789024|4.174152|4.977902|7.310600|7.888446|6.886825|7.939507|13.770439|36.858105| |1.320401|1.233599|1.248585|1.361073|1.480252|1.455157|1.632167|2.160233|9.932357|2.375125|2.403596|2.483848|2.051700|2.374321|2.802322|3.437604|5.963842|7.493738|5.775472|7.437782|9.887037|13.739412|7.988408|6.902185|7.970464|13.767828|36.858105| |1.385549|1.292829|1.310185|1.432742|1.561981|1.532422|1.728679|2.285794|10.464239|2.468978|2.558508|2.638700|2.187482|2.531204|2.986752|3.612857|6.213905|7.686265|5.410388|5.901514|8.492091|6.642625|4.584309|4.087662|4.612481|6.734029|10.017640|2539.412838| |17.729507|8.924385|5.630736|5.002127|5.682331|8.931937|4.026860|4.532190|24.353766|5.414886|5.412912|5.007422|2.874151|2.653921|2.190355|2.010644|3.703234|3.145958|1.627113|1.455925|2.539916|1.336259|1.267264|1.178147|1.148974|1.197513|1.291919|46.034008|0.500000| |8.926150|17.728245|8.923626|5.701849|4.978146|5.632536|3.594735|4.447583|27.190154|6.211919|6.210737|4.159810|2.493344|2.223210|1.902291|1.726177|3.103269|2.763762|1.427186|1.302812|2.302433|1.197640|1.140943|1.063575|1.036403|1.076665|1.157474|41.179909|0.216154|0.500000| |5.611965|8.853073|17.742704|8.899600|5.625533|4.899871|4.257238|5.832265|43.680808|9.932496|9.933315|4.529434|2.759086|2.335374|2.022080|1.784572|3.129431|2.881265|1.465628|1.350259|2.418658|1.228775|1.168266|1.082280|1.050350|1.092064|1.180880|42.093756|0.123748|0.213558|0.500000| |8.919008|5.627770|4.898306|5.632971|8.835826|17.720262|6.483546|6.207632|28.744743|6.094834|6.091634|8.864959|4.408791|4.022598|3.043903|2.710295|5.018911|4.072907|2.053018|1.790241|3.111275|1.609812|1.508642|1.381635|1.340566|1.407188|1.542734|55.312301|0.215871|0.124170|0.106627|0.500000| |4.602606|3.750460|3.797103|4.847160|7.285118|6.903017|9.501077|8.188996|30.613764|6.409905|6.418426|26.108315|8.994007|7.592635|4.743985|3.861560|6.948428|5.489624|2.629316|2.233046|3.896076|1.943272|1.792533|1.607778|1.547875|1.638193|1.835819|66.311610|0.112855|0.086685|0.088185|0.232517|0.500000| |3.013459|2.779094|3.041579|3.873345|4.601571|3.809031|7.009506|9.452318|31.277222|7.108770|6.538582|12.496549|17.589085|8.807040|6.860513|4.554802|7.104018|6.745742|2.999988|2.618265|4.788572|2.182587|2.013215|1.763189|1.664540|1.752898|1.998941|71.118433|0.074556|0.066796|0.075790|0.108113|0.186568|0.500000| |3.013668|2.774012|3.028640|3.848592|4.583530|3.810964|6.934778|9.250864|30.875101|6.449099|7.039657|12.467980|17.576634|8.805084|6.870325|4.558657|7.109596|6.749087|3.002365|2.606914|4.716574|2.182254|1.969113|1.734110|1.666050|1.785708|2.046076|75.744062|0.074651|0.066698|0.075423|0.108478|0.188741|0.303434|0.500000| |2.930121|2.550046|2.593562|3.089113|3.844961|3.698117|4.816065|5.528458|21.722933|4.760985|4.955619|9.699666|8.858493|17.547595|8.886886|6.941567|12.330067|8.531496|3.823160|3.026412|5.153911|2.533463|2.249309|1.970881|1.902442|2.059880|2.385433|88.733328|0.076229|0.062341|0.063924|0.117165|0.213880|0.173213|0.210763|0.500000| |2.927631|2.552573|2.600637|3.100697|3.853004|3.692748|4.838661|5.570762|21.860786|5.008682|4.771354|9.703424|8.863529|17.552372|8.881865|6.933549|12.297992|8.532378|3.820257|3.045988|5.252001|2.535022|2.316540|2.014430|1.900645|2.010495|2.312435|81.565961|0.076063|0.062389|0.064129|0.116548|0.210287|0.211137|0.173231|0.303607|0.500000| |2.241224|2.063734|2.171185|2.559338|2.924760|2.674195|3.701758|4.915155|19.669007|4.638750|4.461011|6.290084|6.852961|8.770724|17.546075|9.035266|10.991062|13.243091|4.887279|4.050077|7.511741|3.088897|2.766435|2.312263|2.140136|2.273853|2.703385|94.685415|0.058031|0.051398|0.055451|0.078745|0.118068|0.203890|0.169658|0.173119|0.210382|0.500000| |2.243018|2.063045|2.167839|2.553888|2.922512|2.677164|3.693681|4.888959|19.577885|4.442699|4.611694|6.292739|6.856142|8.772581|17.544323|9.037499|11.004142|13.217634|4.888261|4.001270|7.228409|3.084127|2.653164|2.246404|2.141767|2.344531|2.819793|106.314864|0.058120|0.051386|0.055338|0.078959|0.118743|0.169400|0.204378|0.210498|0.173091|0.305230|0.500000| |1.673085|1.533940|1.550747|1.723146|1.927311|1.894419|2.177122|2.817349|12.496927|2.939308|2.981236|3.465392|2.962258|3.751266|4.724158|7.167275|12.604010|16.510381|17.651170|8.840280|10.764683|6.854131|4.855289|3.857978|3.751331|4.456025|6.256814|226.391476|0.045218|0.039411|0.040120|0.056877|0.071922|0.077852|0.080731|0.106320|0.100027|0.117163|0.127467|0.500000| |1.684693|1.543350|1.559459|1.733048|1.940210|1.908528|2.191092|2.831600|12.555500|3.000579|2.945000|3.491426|2.979658|3.793637|4.754733|7.316429|13.136810|16.489498|17.568237|8.979843|11.325902|6.722709|5.559509|4.172235|3.709089|3.984147|5.150623|151.817008|0.045541|0.039643|0.040323|0.057351|0.072502|0.080844|0.078297|0.101725|0.107543|0.127034|0.117686|0.303211|0.500000| |1.318264|1.236964|1.258126|1.374021|1.488051|1.453130|1.647390|2.196491|10.102157|2.470606|2.400484|2.495172|2.071155|2.370955|2.814259|3.362801|5.697341|7.352721|5.236596|7.218188|11.664186|8.942510|17.724145|8.925231|5.653769|4.959888|5.674706|129.731559|0.035692|0.032217|0.033125|0.042573|0.050797|0.058230|0.055821|0.062992|0.066543|0.080980|0.074804|0.123235|0.155308|0.500000| |1.152719|1.085326|1.095968|1.180922|1.269120|1.252530|1.377710|1.833193|8.593588|2.102895|2.058624|2.056726|1.660871|1.865689|2.114795|2.455231|4.327354|5.012743|3.431771|4.129003|6.681363|5.630216|8.933091|17.730849|8.906359|5.645679|4.968219|113.039280|0.031473|0.028517|0.028991|0.036616|0.042204|0.046257|0.045050|0.050670|0.052417|0.059524|0.056992|0.090248|0.100456|0.215350|0.500000| |1.102404|1.037371|1.043341|1.119032|1.201753|1.192517|1.295546|1.718545|8.097062|1.962736|1.959426|1.929261|1.544170|1.730833|1.936328|2.243182|4.010618|4.501675|3.078159|3.547942|5.592826|4.935116|5.651840|8.903957|17.726783|8.946807|5.665468|130.764099|0.030220|0.027338|0.027614|0.034899|0.039782|0.042332|0.042381|0.048057|0.047996|0.053110|0.053173|0.087138|0.086297|0.124174|0.214230|0.500000| |1.181870|1.108401|1.115540|1.201880|1.297009|1.285620|1.405807|1.860070|8.700846|2.083097|2.120770|2.108088|1.698788|1.921874|2.170619|2.548043|4.547151|5.161047|3.587746|4.062065|6.157457|5.634437|4.962508|5.643062|8.900009|17.757321|8.940548|222.926588|0.032343|0.029112|0.029437|0.037739|0.043508|0.045854|0.047216|0.054310|0.052278|0.058073|0.060855|0.109191|0.094582|0.107700|0.124012|0.215004|0.500000| 4177.410667 -15780.703116 4771.518987 -274.185398 -7105.958860 2923.794699 -4182.164161 2.001138 406200000000001C 447B5EEB3B1E5BAD 43FDB0B9BDF58A7F 41F406775C000000 BBD79CA0FFFFFFF8 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