Version2.4 2021-05-19T21:48:44Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 13-Jul-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCn1c2c(=O)[nH]c(=O)n(c2nc1NNC3=c4cc(ccc4=[NH+]C3=O)Br)C C13549872 RHF 6-31G(d) (6D,7F) CCCn1c2c(=O)[nH]c(=O)n(c2nc1NNC3=c4cc(ccc4=[NH+]C3=O)Br)C C01[X(C17H17Br1N7O3)] 129 C1 469 CCCn1c(NNC2=c3cc(Br)ccc3=[NH+]C2=O)nc2c1c(=O)[nH]c(=O)n2C CCCn1c(NNC2=c3cc(Br)ccc3=[NH+]C2=O)nc2c1c(=O)[nH]c(=O)n2C CCCn1c(NNC2=C3C=C(Br)C=CC3=[NH+]C2=O)nc4N(C)C(=O)NC(=O)c14 InChIKey=WVVJAJFRMJRKSD-UHFFFAOYSA-O InChI=1S/C17H16BrN7O3/c1-3-6-25-12-13(24(2)17(28)21-15(12)27)20-16(25)23-22-11-9-7-8(18)4-5-10(9)19-14(11)26/h4-5,7H,3,6H2,1-2H3,(H,20,23)(H,19,22,26)(H,21,27,28)/p+1 InChI=1/C17H16BrN7O3/c1-3-6-25-12-13(24(2)17(28)21-15(12)27)20-16(25)23-22-11-9-7-8(18)4-5-10(9)19-14(11)26/h4-5,7H,3,6H2,1-2H3,(H,20,23)(H,19,22,26)(H,21,27,28)/p+1/fC17H17BrN7O3/h19,21-23H/q+1 CCCn1c2c(=O)[nH]c(=O)n(c2nc1NNC3=c4cc(ccc4=[NH+]C3=O)Br)C C01[X(C17H17Br1N7O3)] 129 C01 469 CCCn1c(NNC2=c3cc(Br)ccc3=[NH+]C2=O)nc2c1c(=O)[nH]c(=O)n2C CCC[N]1[C]([N][C]2[C]1C(=O)NC(=O)N2C)N[NH][C]1[C]2[CH][C]([CH][CH][C]2NC1=O)Br CCCN1[C]([N][C]2[C]1C(=O)NC(=O)N2C)NN[C]3[C]4[CH][C](Br)[CH][CH][C]4NC3=O InChIKey=FNDDGMHRTLBRPE-UHFFFAOYSA-N InChI=1S/C17H17BrN7O3/c1-3-6-25-12-13(24(2)17(28)21-15(12)27)20-16(25)23-22-11-9-7-8(18)4-5-10(9)19-14(11)26/h4-5,7,22H,3,6H2,1-2H3,(H,19,26)(H,20,23)(H,21,27,28) InChI=1/C17H17BrN7O3/c1-3-6-25-12-13(24(2)17(28)21-15(12)27)20-16(25)23-22-11-9-7-8(18)4-5-10(9)19-14(11)26/h4-5,7,22H,3,6H2,1-2H3,(H,19,26)(H,20,23)(H,21,27,28)/f/h19,21,23H 3033.3598793317 -3829.1024112 1-A 15858.2138 113 356 469 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -490.19236 -64.60365 -58.74327 -58.74121 -58.74107 -20.74141 -20.63156 -20.61911 -15.86374 -15.80999 -15.78341 -15.76337 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614.1256 627.0387 678.0456 700.4178 708.5235 739.6782 746.4580 772.6137 795.8103 801.5240 804.1684 820.1437 833.1363 842.0409 846.3951 855.9118 860.9654 894.9555 916.1372 951.5901 964.4969 969.3426 974.7664 1000.3283 1062.3529 1085.5671 1113.7674 1138.3543 1145.2746 1152.5093 1169.9764 1181.1519 1222.4467 1227.0893 1266.6423 1268.9498 1281.6761 1298.8251 1319.6702 1322.1411 1341.3659 1350.7400 1385.7876 1390.3835 1433.2910 1440.0459 1445.5536 1466.8625 1488.1934 1524.4231 1531.1900 1555.0933 1569.6489 1571.1982 1581.4545 1600.5376 1609.1239 1619.7746 1629.0600 1634.7147 1642.0329 1643.9636 1645.5575 1653.1868 1655.5607 1675.9029 1715.3023 1738.6943 1762.7230 1792.3952 1815.2820 1899.0063 1977.6640 1993.2993 2085.7747 3203.5176 3207.3713 3247.8464 3255.7391 3262.6179 3285.7335 3291.5824 3315.0510 3340.5725 3392.5167 3403.3025 3416.7620 3445.5012 3678.6759 3722.7526 3837.6457 3861.6927 6.5597 7.1439 6.8868 4.0513 4.5027 6.0175 1.3732 4.1417 1.6467 5.5635 4.8574 5.2747 4.9824 9.0469 7.8879 8.1192 6.3560 2.4622 1.6592 2.6982 10.1504 3.1748 4.2326 4.2917 4.8191 6.2624 6.3944 5.8974 4.9331 5.9212 4.7776 2.9264 1.7331 6.0655 2.6344 6.7243 7.3057 7.3773 5.4465 6.2352 1.5168 5.2976 2.9750 6.9812 4.4279 1.6246 3.8891 4.2043 2.7077 5.2855 11.7212 2.4044 8.0754 4.9251 3.4502 2.4455 1.4219 1.4312 4.1086 1.8544 2.2745 1.4392 2.5750 2.7783 4.6612 1.4007 4.6479 2.1142 4.6374 2.6362 2.4900 1.2739 2.3405 2.7070 3.3017 2.2511 4.2292 3.3991 3.5168 1.7861 1.8394 2.2292 2.1963 2.3198 1.3346 1.8782 1.9344 4.9872 1.4360 1.6584 1.2959 2.0164 1.3235 1.5203 2.1994 2.8869 1.0896 1.1675 1.0470 1.0437 1.1662 1.1905 2.2221 4.2070 6.2762 5.1160 6.2951 10.7594 6.4252 8.3676 10.8411 11.6253 1.0520 1.0595 1.0361 1.0737 1.0928 1.0956 1.1028 1.1081 1.1015 1.1019 1.0925 1.0969 1.0944 1.0795 1.0762 1.0789 1.0821 0.0003 0.0008 0.0041 0.0059 0.0069 0.0156 0.0047 0.0160 0.0069 0.0338 0.0410 0.0592 0.0755 0.1458 0.1764 0.2007 0.1881 0.0812 0.0624 0.1149 0.5088 0.1669 0.2449 0.2525 0.3578 0.4708 0.5338 0.5962 0.5392 0.6765 0.5601 0.3979 0.2434 1.0716 0.5031 1.2894 1.5693 1.6393 1.2617 1.6890 0.4384 1.5669 0.9590 2.2919 1.5573 0.6062 1.4721 1.6019 1.0731 2.1616 4.8965 1.0149 3.4855 2.1510 1.6282 1.2093 0.7586 0.7844 2.2746 1.0381 1.3410 0.9570 1.7879 2.0305 3.5588 1.0825 3.6374 1.7051 3.8118 2.3210 2.2090 1.2042 2.2205 2.6199 3.2816 2.3098 4.3558 3.6034 3.7805 2.0209 2.0950 2.6982 2.6835 2.8560 1.6920 2.4508 2.6486 6.8891 2.0461 2.4074 1.8849 2.9712 1.9976 2.3193 3.3998 4.5140 1.7156 1.8547 1.6671 1.6652 1.8779 1.9224 3.6772 7.2929 11.1787 9.3659 11.9156 20.8895 13.6519 19.2822 25.3785 29.7980 6.3612 6.4217 6.4394 6.7054 6.8536 6.9687 7.0398 7.1751 7.2425 7.4723 7.4551 7.5448 7.6548 8.6075 8.7875 9.3616 9.5078 0.6451 0.3220 0.8207 0.4757 1.0319 1.5977 0.0118 0.3838 0.0482 0.4318 0.2445 0.9420 0.1190 0.0623 1.2493 9.6171 6.9061 4.2003 1.9196 16.6819 0.7778 0.4952 1.5981 1.8058 1.1693 0.8254 30.0353 2.2100 10.8806 4.8197 17.8402 40.5108 73.1273 18.5728 83.6161 36.3035 20.1341 31.5939 10.2472 39.2007 40.1914 15.5052 47.2749 13.6812 6.5746 23.2738 43.2512 17.2331 8.0319 14.8015 0.7075 40.6609 132.0090 26.5339 42.0147 49.8862 51.8805 1.0779 11.2435 7.1830 55.3743 4.2172 11.6141 3.1799 26.0478 0.8826 7.4619 20.2823 191.9989 13.0194 32.7488 2.4021 51.0343 75.2667 34.4403 15.6600 55.2960 112.7972 42.8209 31.1405 34.4930 61.2506 217.9234 8.8913 9.1548 28.4570 141.1904 197.0723 3.7596 0.0650 0.6919 60.5598 30.1334 182.6424 190.7621 427.2228 23.0247 40.1729 8.3519 10.9438 127.6393 120.9315 113.9976 88.0962 189.3750 54.4094 761.9589 258.5203 463.4223 1015.2751 697.0609 476.2854 41.6506 19.3800 34.0290 30.9414 9.7795 45.3384 23.6904 23.7762 8.9947 0.0117 0.1030 1.4365 3.7935 377.9076 54.2080 152.7386 207.3017 1.0466 2.0195 3.2345 0.7439 1.7677 1.9985 0.1233 0.7516 0.0674 1.4537 1.8249 1.5436 1.2285 0.2611 1.0430 0.4509 0.5000 0.3051 0.5340 0.5992 7.7445 0.1180 1.1039 0.7452 1.3237 0.8609 1.5485 1.7007 1.1984 2.3642 0.2406 3.0162 2.5754 1.1040 1.5327 2.9346 3.5848 4.1706 2.6848 21.0276 4.0375 0.5943 3.8792 5.7513 3.1839 5.0219 2.5631 1.3281 7.5874 19.9776 2.5291 9.5710 0.2291 2.5362 4.4977 3.5352 1.9379 7.8994 13.6665 7.0991 9.7019 0.7735 20.8414 10.3247 3.1855 0.1107 3.9446 13.3906 133.2197 8.8162 12.8552 2.5893 9.7562 17.6296 4.4821 9.5060 62.9453 12.9411 76.7613 2.4886 1.9780 12.9767 0.1762 11.9300 1.4267 16.8042 16.8443 21.3945 3.4879 5.6275 3.0770 167.9261 15.1433 39.5544 41.1185 38.6358 18.9958 5.2822 15.7908 17.9404 22.1929 18.0200 13.2152 27.3794 15.3754 45.4071 291.4658 80.8508 344.8616 43.0204 11.3881 40.0989 29.2947 131.7727 98.2246 109.0070 68.0905 8.1957 75.0470 54.1219 40.5765 59.9169 73.7840 178.1108 37.6139 29.0591 113.7051 86.5736 107.9204 0.7485 0.6372 0.7315 0.7461 0.7237 0.7500 0.6703 0.6035 0.6137 0.7451 0.7489 0.5545 0.7366 0.6872 0.2498 0.7463 0.4755 0.2966 0.1827 0.6302 0.2877 0.6120 0.2655 0.6884 0.6797 0.5417 0.4137 0.4192 0.6887 0.5733 0.2715 0.2701 0.3388 0.7497 0.7167 0.2647 0.7207 0.7299 0.3635 0.1317 0.6862 0.4063 0.7463 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0.1998 0.3076 0.2256 0.8571 0.8378 0.4822 0.6503 0.8028 0.7903 0.7683 0.3522 0.4163 0.8414 0.3130 0.8510 0.6042 0.2240 0.7257 0.7399 0.3136 0.8284 0.4692 0.6572 0.8015 0.8569 0.8547 0.5097 0.8437 0.4706 0.3240 0.7480 0.4463 0.7199 0.7896 0.4143 0.8118 0.5087 0.5599 0.6854 0.8562 0.8275 0.8518 0.8544 0.8182 0.6697 0.5172 0.4015 0.7003 0.6136 0.7120 0.2645 0.4061 0.3722 0.2693 0.3530 0.5163 0.1429 0.0558 0.4251 0.6377 0.6079 0.7938 0.8571 0.6218 0.7308 0.7649 0.3461 0.4321 0.2679 0.2284 0.4405 0.4439 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 7 6 6 8 7 1 6 8 7 6 7 6 7 7 6 6 6 6 6 6 6 7 1 6 8 35 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 15.99491 14.00307 1.00783 12.00000 15.99491 14.00307 12.00000 14.00307 12.00000 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 78.91834 12.00000 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 8231.9196 22848.9698 30015.6886 0.99968 -0.02523 0.00162 0.02521 0.99964 0.00928 -0.00185 -0.00924 0.99996 1 0.01052 0.00379 0.00289 0.21924 0.07899 0.06013 12.05 19.36 45.95 71.37 73.52 95.46 109.21 116.64 121.55 146.18 172.13 198.66 230.72 237.97 280.28 294.68 322.43 340.36 363.40 386.83 419.66 429.76 450.84 454.63 510.77 513.94 541.57 595.97 619.68 633.56 641.81 691.18 702.38 787.88 819.17 820.79 868.73 883.59 902.17 975.56 1007.74 1019.41 1064.23 1073.99 1111.62 1144.99 1153.21 1157.02 1180.00 1198.70 1211.51 1217.77 1231.47 1238.74 1287.64 1318.12 1369.13 1387.70 1394.67 1402.47 1439.25 1528.49 1561.89 1602.46 1637.84 1647.79 1658.20 1683.34 1699.41 1758.83 1765.51 1822.42 1825.74 1844.05 1868.72 1898.71 1902.27 1929.93 1943.41 1993.84 2000.45 2062.19 2071.90 2079.83 2110.49 2141.18 2193.30 2203.04 2237.43 2258.37 2260.60 2275.36 2302.82 2315.17 2330.49 2343.85 2351.99 2362.52 2365.30 2367.59 2378.57 2381.98 2411.25 2467.94 2501.59 2536.17 2578.86 2611.79 2732.25 2845.42 2867.91 3000.96 4609.15 4614.69 4672.93 4684.28 4694.18 4727.44 4735.85 4769.62 4806.34 4881.07 4896.59 4915.96 4957.31 5292.79 5356.21 5521.52 5556.11 0.373249 0.397278 0.398222 0.314807 -3828.729163 -3828.705133 -3828.704189 -3828.787604 2.797753D-04 MUNgauss RevisionA2.1 retrievium 19-May-2021 DUDE CCCn1c2c(=O)[nH]c(=O)n(c2nc1NNC3=c4cc(ccc4=[NH+]C3=O)Br)C C13549872 RHF 6-31G(d) (6D,10F) C1 446.057624 |X|Y|Z| 106.157007 64.552442 20.549029 52.025654 20 6 7 13 7 |36.858105| |12.466443|36.858105| |7.550642|12.481238|36.858105| |4.964307|7.651714|12.960308|53.358707| |4.064678|5.772906|7.457677|18.624777|36.858105| |3.883137|5.115477|5.909483|10.034886|13.227443|36.858105| |4.348221|5.435389|5.994634|8.388446|8.055844|15.926578|73.516695| |3.057592|3.808739|4.187670|7.048729|8.236567|13.769172|14.945347|53.358707| |2.843370|3.401578|3.628950|5.701567|5.897602|9.366335|13.683494|25.940036|0.500000| |2.648067|3.269852|3.591983|6.269947|6.857298|7.594112|9.464139|18.701160|0.263063|36.858105| |2.293294|2.737731|2.938252|4.868976|4.801173|5.352231|7.509739|11.547580|0.219738|15.998568|73.516695| |2.726889|3.450786|3.896326|7.376939|7.949435|6.617729|8.314474|11.058250|0.164218|13.783911|14.951090|53.358707| |3.271921|4.375456|5.256841|11.811234|14.068233|7.784896|9.491023|9.823598|0.145451|8.062693|9.758518|18.993246|36.858105| |3.235565|4.289719|5.227840|11.670384|8.542019|5.292335|7.370646|6.503398|0.106118|5.222481|7.244184|10.706181|14.042032|53.358707| |3.991792|5.570011|7.540959|19.606172|8.904392|5.347768|7.888027|5.939886|0.099298|4.311765|6.098569|7.588153|9.123353|19.915083|36.858105| |3.865729|4.989823|6.317239|10.814821|5.428941|3.892484|6.170441|4.492370|0.078670|3.278442|4.890203|5.479202|5.511324|10.913719|13.473465|53.358707| |3.070852|3.769358|4.361207|7.299477|4.331209|3.264189|5.138702|3.993021|0.070694|3.048777|4.667526|5.194372|4.847380|9.959132|8.274304|18.705244|53.358707| |2.854311|3.373095|3.654776|5.657743|3.469974|2.756814|4.444316|3.419354|0.061756|2.601490|4.078826|4.281876|3.779508|6.944720|5.576973|11.091894|20.291207|36.858105| |2.972719|3.389309|3.485091|5.009614|3.053011|2.508528|4.154562|3.084662|0.056539|2.295337|3.631895|3.644593|3.167675|5.396456|4.502403|8.548417|10.408108|13.438691|36.858105| |3.521250|3.897883|3.850745|5.151066|3.053488|2.547572|4.319402|3.065753|0.056558|2.221277|3.502422|3.443875|3.017754|4.925010|4.327075|8.029803|7.899041|7.362431|13.577484|36.858105| |3.177136|3.324578|3.166644|4.138421|2.549900|2.204153|3.796334|2.686647|0.050308|1.941340|3.107542|2.946539|2.506841|3.934368|3.325412|5.648585|5.626533|5.069229|8.015890|13.912630|36.858105| |2.587283|2.712094|2.612270|3.510307|2.234918|1.953377|3.345573|2.430765|0.045770|1.781512|2.888238|2.701053|2.245436|3.509806|2.846687|4.693071|4.967384|4.617527|6.958086|7.920924|13.585310|36.858105| |2.339133|2.514048|2.479660|3.449412|2.226383|1.929992|3.259089|2.433453|0.045651|1.813575|2.951553|2.784355|2.295410|3.648707|2.878292|4.753302|5.388783|5.332901|7.858688|6.714254|7.799730|13.756908|36.858105| |2.470673|2.742444|2.776667|3.985451|2.544795|2.152090|3.577844|2.709087|0.050240|2.039317|3.288975|3.200284|2.676020|4.414755|3.472022|5.969763|7.353376|8.442589|13.527489|7.788010|6.877096|8.070377|13.820561|36.858105| |2.209923|2.479329|2.561964|3.797933|2.491902|2.104881|3.454119|2.699446|0.049976|2.074369|3.371031|3.295903|2.704500|4.510672|3.372880|5.597733|7.451024|8.298625|8.268607|5.254410|4.596669|5.157937|7.655449|13.722249|53.358707| |1.986142|2.201864|2.261867|3.334846|2.231660|1.916947|3.156902|2.487093|0.046391|1.919703|3.157303|3.018060|2.424095|3.944527|2.898266|4.629748|5.897664|5.836044|5.839599|4.208673|3.908139|4.551999|6.712124|8.934531|25.987927|0.500000| |2.328356|2.681695|2.858284|4.410551|2.886767|2.374611|3.827271|3.047190|0.055686|2.373128|3.814663|3.880295|3.230057|5.666122|4.125322|6.954472|10.746936|12.383229|7.995805|5.046419|4.075905|4.146143|5.286191|8.404368|19.069148|0.254557|36.858105| |2.143196|2.472714|2.671981|4.211969|2.849682|2.354884|3.755156|3.082282|0.056283|2.452571|3.976995|4.058150|3.288026|5.750931|3.936062|6.196690|9.264676|7.912837|5.431826|3.910041|3.263900|3.304305|4.033042|5.568191|11.218424|0.197619|16.173841|73.516695| |3.510055|3.375403|3.074200|3.790423|2.355246|2.102121|3.723326|2.540179|0.048195|1.796846|2.888167|2.656451|2.240810|3.373446|2.865950|4.588001|4.292429|3.516420|4.609560|6.726095|10.108120|6.687593|4.576677|4.093346|4.300989|0.078425|2.932693|4.433815|2539.412838| |2.317626|2.835547|3.133706|5.598048|5.112515|4.390709|6.120398|7.004954|0.118391|7.727738|12.168615|17.756849|7.742086|8.896637|4.573043|4.923835|5.047047|3.125974|2.614160|2.397324|2.067829|1.937476|2.038708|2.358467|3.410913|0.064554|2.984807|5.771941|62.380289|36.858105| |17.582982|8.818222|5.498362|5.588161|3.540173|3.454257|6.821027|3.834914|0.073805|2.466051|3.852308|3.426034|2.943272|3.948690|3.450825|4.573756|3.781695|2.645508|2.800542|3.322486|3.105811|2.556367|2.290042|2.376179|2.882548|0.053261|2.197425|3.590865|120.563183|2.168914|0.500000| |17.531247|8.748701|6.817840|6.232285|3.642410|3.373855|6.506203|3.704870|0.070179|2.416074|3.748431|3.441353|3.033540|4.226878|3.879353|5.441093|4.306398|2.982276|3.179715|3.901092|3.538455|2.809985|2.494971|2.617168|3.135558|0.057265|2.406502|3.894240|137.986719|2.191697|0.301974|0.500000| |17.562593|8.781796|6.847731|6.246023|3.936694|3.968443|8.350585|4.226254|0.081596|2.632237|4.072084|3.604707|3.124759|4.096468|3.626175|4.669006|3.762030|2.544193|2.600094|2.990342|2.721355|2.272909|2.082502|2.198748|2.722212|0.050358|2.116217|3.513403|101.358850|2.237037|0.302299|0.301127|0.500000| |8.818357|17.521334|8.872647|9.538801|5.257298|4.424202|7.844916|4.745513|0.086038|3.130733|4.698037|4.635715|4.322222|6.095541|5.845680|7.551964|5.750392|3.875069|3.997283|4.726602|3.937354|3.134194|2.879674|3.158169|3.805369|0.068168|3.004143|4.821410|132.458475|2.872618|0.212300|0.209584|0.172643|0.500000| |8.853861|17.586260|8.919836|9.538506|6.237957|6.068935|11.894119|5.991760|0.109722|3.633371|5.367352|5.037736|4.576014|5.702557|5.056479|5.803254|4.608687|3.031543|2.992757|3.318245|2.892555|2.435394|2.291026|2.490753|3.125061|0.057271|2.486962|4.145090|99.233418|2.967057|0.212874|0.172703|0.211443|0.302626|0.500000| |6.856065|8.824632|17.660712|12.583161|6.982708|6.392316|12.783198|5.969195|0.107800|3.605497|5.273541|5.087372|4.809737|6.118755|5.834163|6.658988|4.947140|3.085630|2.935549|3.192030|2.715239|2.290924|2.183715|2.414382|3.075817|0.056204|2.506432|4.239560|91.572332|2.980406|0.140467|0.167983|0.203521|0.173683|0.213713|0.500000| |6.877632|8.802677|17.595030|12.503327|5.650017|4.530310|8.074435|4.718566|0.084881|3.101024|4.619430|4.652693|4.491835|6.571197|7.103763|9.766775|6.425270|3.975361|3.852625|4.373262|3.517638|2.838599|2.669390|2.998907|3.707136|0.066222|3.028894|4.956366|115.745114|2.872479|0.140527|0.203415|0.169495|0.210828|0.173907|0.302739|0.500000| |3.778387|4.608885|6.160440|9.473711|4.855861|3.639724|5.917272|4.192947|0.074436|3.020927|4.558309|4.905926|4.756718|8.598597|9.431936|25.806364|13.238898|6.693042|5.513519|5.381743|3.925127|3.266907|3.273070|4.006622|5.114851|0.087788|4.548056|7.336181|111.811864|3.253033|0.089767|0.111730|0.095208|0.134737|0.108263|0.138709|0.214925|0.500000| |2.760540|3.371803|3.927437|6.833282|4.362581|3.288836|5.073245|4.141810|0.072898|3.268350|5.017231|5.759625|5.248503|11.360788|7.690774|12.585447|25.664227|9.625422|5.682469|4.463198|3.418893|3.129992|3.444353|4.555954|6.795781|0.114736|7.517452|13.753310|92.033687|4.296699|0.069790|0.077729|0.070420|0.101978|0.086817|0.094148|0.114018|0.208390|0.500000| |4.317113|4.855334|4.824324|6.161556|3.472784|2.860421|4.886170|3.354181|0.061540|2.386335|3.714268|3.688393|3.316802|5.380543|5.039061|9.611959|8.103577|6.515266|8.826010|17.795003|8.947132|5.631091|4.874935|5.572080|5.810798|0.097728|4.386970|6.356546|219.279361|2.499793|0.109487|0.136418|0.099107|0.167158|0.109266|0.106921|0.158933|0.180144|0.125899|0.500000| |2.396314|2.455692|2.341123|3.112574|2.010012|1.786628|3.085834|2.234755|0.042418|1.632617|2.666558|2.445044|2.007830|3.078085|2.473353|3.958571|4.121782|3.665433|4.998496|5.662539|8.919264|17.746054|8.971359|5.712344|5.645256|0.107043|3.403261|5.012828|221.440306|1.754873|0.066677|0.072182|0.058966|0.077648|0.061865|0.057873|0.070081|0.077472|0.073911|0.124369|0.500000| |2.072674|2.209974|2.180139|3.042573|2.001777|1.757355|2.971331|2.241080|0.042296|1.678906|2.759371|2.560180|2.074953|3.252849|2.514340|4.029969|4.569464|4.326533|5.590073|4.872012|5.582813|8.894092|17.752515|8.867417|9.229544|0.190741|4.635665|6.614637|129.941382|1.895524|0.056723|0.060922|0.051860|0.069263|0.056718|0.054095|0.064520|0.077787|0.083996|0.106245|0.215747|0.500000| |2.116019|2.535097|2.750086|4.700496|4.273261|3.978135|5.691750|6.701622|0.119039|7.643808|14.644165|12.576289|5.735712|6.549961|3.679061|4.099887|4.175381|2.666026|2.286839|2.120108|1.861318|1.757123|1.842348|2.096791|3.025048|0.058023|2.585360|4.982506|56.916872|17.713478|0.055529|0.055421|0.057284|0.070725|0.074488|0.074013|0.070054|0.076661|0.096349|0.061148|0.044642|0.048026|0.500000| |2.228049|2.690721|3.050613|5.417448|4.699581|3.961934|5.657393|6.024786|0.103779|6.024702|9.649154|12.382912|6.876050|8.899306|4.573234|5.060758|5.308166|3.232859|2.649680|2.399260|2.059905|1.936298|2.052526|2.394182|3.510255|0.066455|3.126858|6.203339|61.691295|17.614319|0.057466|0.059354|0.059910|0.075533|0.076484|0.080916|0.079502|0.094793|0.130463|0.069258|0.048596|0.053062|0.299891|0.500000| |2.319730|2.849307|3.066312|5.427247|4.703481|3.955529|5.649070|6.005947|0.103403|5.997352|9.591486|12.391211|6.901612|8.956179|4.591700|5.079474|5.400183|3.409143|2.829512|2.553309|2.198287|2.074267|2.204861|2.571434|3.757553|0.071049|3.307107|6.419501|65.326634|17.617059|0.060882|0.061123|0.061279|0.082305|0.082402|0.079138|0.078675|0.090822|0.127933|0.072995|0.051951|0.056944|0.299853|0.299781|0.500000| 3826.869069 -15133.939570 4697.500318 -255.106723 -6864.676906 3033.360098 -3831.316808 2.001162 40A85FFFFFFFFFFD 446569987551A857 43E825E331FB1A52 418EF5A577FFFFFF 401C000000000000 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