Version2.4 2021-05-26T01:57:32Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 24-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[NH+](CC)CCN1[C@H](c2c(=O)c3cc(ccc3oc2C1=O)Br)c4cccc(c4)[N+](=O)[O-] C08834903 RHF 6-31G(d) (6D,7F) CC[NH+](CC)CCN1[C@H](c2c(=O)c3cc(ccc3oc2C1=O)Br)c4cccc(c4)[N+](=O)[O-] C01[X(C23H23Br1N3O5)] 159 C1 541 CC[NH+](CCN1C(=O)c2c([C@@H]1c1cccc(c1)[N+](=O)[O-])c(=O)c1c(o2)ccc(c1)Br)CC CC[NH+](CCN1C(=O)c2c([C@@H]1c1cccc(c1)[N+](=O)[O-])c(=O)c1c(o2)ccc(c1)Br)CC CC[NH+](CC)CCN1[C@@H](c2cccc(c2)[N+]([O-])=O)C3=C(Oc4ccc(Br)cc4C3=O)C1=O InChIKey=NEUDEXMCOMTRDG-FQEVSTJZSA-O InChI=1S/C23H22BrN3O5/c1-3-25(4-2)10-11-26-20(14-6-5-7-16(12-14)27(30)31)19-21(28)17-13-15(24)8-9-18(17)32-22(19)23(26)29/h5-9,12-13,20H,3-4,10-11H2,1-2H3/p+1/t20-/m0/s1 InChI=1/C23H22BrN3O5/c1-3-25(4-2)10-11-26-20(14-6-5-7-16(12-14)27(30)31)19-21(28)17-13-15(24)8-9-18(17)32-22(19)23(26)29/h5-9,12-13,20H,3-4,10-11H2,1-2H3/p+1/t20-/m0/s1/fC23H23BrN3O5/h25H/q+1 CC[NH+](CC)CCN1[C@H](c2c(=O)c3cc(ccc3oc2C1=O)Br)c4cccc(c4)[N+](=O)[O-] C01[X(C23H23Br1N3O5)] 159 C01 541 CC[NH+](CCN1C(=O)c2c([C@@H]1c1cccc(c1)[N+](=O)[O-])c(=O)c1c(o2)ccc(c1)Br)CC CC[NH](CCN1C(=O)C2=C([C@@H]1[C]1[CH][CH][CH][C]([CH]1)[N]([O])[O])C(=O)[C]1[C]([CH][CH][C]([CH]1)Br)O2)CC CC[NH](CC)CCN1[C@@H]([C]2[CH][CH][CH][C]([CH]2)N([O])[O])C3=C(O[C]4[CH][CH][C](Br)[CH][C]4C3=O)C1=O InChIKey=TXUIFUIYLZRYJK-FQEVSTJZSA-N InChI=1S/C23H23BrN3O5/c1-3-25(4-2)10-11-26-20(14-6-5-7-16(12-14)27(30)31)19-21(28)17-13-15(24)8-9-18(17)32-22(19)23(26)29/h5-9,12-13,20,25H,3-4,10-11H2,1-2H3/t20-/m0/s1 InChI=1/C23H23BrN3O5/c1-3-25(4-2)10-11-26-20(14-6-5-7-16(12-14)27(30)31)19-21(28)17-13-15(24)8-9-18(17)32-22(19)23(26)29/h5-9,12-13,20,25H,3-4,10-11H2,1-2H3/t20-/m0/s1 3658.9733463372 -3991.6177238 1-A 21574.1855 128 413 541 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186.8382 199.7166 225.2005 233.1684 245.2677 270.0741 297.0576 316.5273 320.4415 332.8730 343.4160 349.6140 356.0620 378.6103 389.3822 439.7298 454.3696 474.1714 479.9685 482.7763 490.2721 491.9296 552.5268 563.8499 585.0894 590.2852 596.3626 609.7803 640.9730 689.0035 701.9354 720.7528 749.4189 761.5733 784.1788 800.0117 818.3071 844.9764 853.1298 859.2094 864.4189 867.0870 899.9357 914.5981 926.2816 939.2982 949.9606 952.7331 969.3461 978.6753 1016.2975 1030.5867 1056.8054 1072.4973 1082.1669 1085.2946 1091.6504 1102.0569 1106.8305 1118.7397 1125.4810 1138.0374 1169.2780 1182.5615 1183.0463 1199.3937 1208.6978 1221.5235 1225.9139 1242.5579 1247.2508 1255.2013 1271.7163 1304.1501 1313.4757 1321.3009 1333.6978 1338.2702 1354.6845 1360.3704 1406.2431 1414.2399 1418.5250 1424.7352 1441.9269 1451.9900 1480.4778 1487.4772 1516.4433 1527.2690 1543.1200 1550.4681 1563.5049 1583.5056 1583.9494 1584.2184 1611.4861 1621.6439 1625.8771 1630.3752 1635.2676 1637.5199 1640.2678 1643.9521 1644.2834 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1.7950 1.8934 2.2125 2.2661 2.1211 2.3485 3.1938 2.4640 1.3756 1.6036 1.1788 1.4787 1.2483 1.3267 1.4724 1.4758 1.2498 1.4339 2.4851 1.7333 1.2627 1.7759 1.3604 2.7636 1.1170 1.1840 1.0553 1.1122 2.3055 1.0644 1.6281 4.1097 1.5824 1.3870 1.0838 1.1927 2.8091 1.1716 6.9316 5.8124 6.4722 5.9186 11.9142 11.5530 10.7001 12.9788 1.0367 1.0367 1.0819 1.0724 1.0650 1.0668 1.0687 1.1046 1.1041 1.1025 1.1022 1.0999 1.1070 1.1046 1.1048 1.0906 1.0950 1.0913 1.0973 1.0938 1.0933 1.0952 1.0822 0.0013 0.0012 0.0018 0.0038 0.0102 0.0088 0.0106 0.0137 0.0127 0.0208 0.0143 0.0397 0.0435 0.1004 0.0958 0.1256 0.0666 0.1282 0.1229 0.0554 0.0693 0.0534 0.3128 0.1657 0.3341 0.1329 0.1568 0.3233 0.4882 0.2920 0.6850 0.4645 0.9577 0.6079 0.5405 0.4411 0.4595 0.4844 0.4182 0.5790 1.0478 1.5885 1.5611 1.1319 0.8350 1.5866 2.0772 2.0362 2.4646 1.0211 2.0112 1.9489 1.0492 0.9452 1.2306 2.7647 1.4048 0.9910 0.9945 0.8104 2.6440 0.8705 3.3514 0.7763 1.2908 1.6472 1.5532 2.1476 2.9520 1.0343 0.9951 1.4141 1.1542 4.1865 2.0253 2.0410 2.1559 1.0152 1.0408 1.5866 1.3305 1.7953 1.5354 3.8020 2.0677 2.0227 1.8380 3.4093 1.8107 2.0352 1.7988 1.9246 2.2758 2.3749 2.2382 2.5393 3.4824 2.8708 1.6210 1.9012 1.4098 1.8114 1.5506 1.7133 1.9195 1.9995 1.7176 2.0117 3.5199 2.4965 1.8654 2.6252 2.0116 4.2284 1.7306 1.8441 1.6528 1.7523 3.6424 1.6873 2.5924 6.5466 2.5473 2.2413 1.7557 1.9390 4.5727 1.9301 12.6631 10.9215 12.4160 11.4005 24.7873 24.0504 23.5707 30.1554 6.3674 6.3726 6.7314 6.6808 6.7242 6.7451 6.7795 7.0798 7.0961 7.1053 7.1084 7.1454 7.2641 7.2995 7.3152 7.2968 7.4569 7.4453 7.5518 7.5540 7.5673 7.6380 7.8409 2.6342 0.2572 0.7601 0.3512 0.4232 0.4551 0.9341 2.0417 1.4858 0.4707 1.2256 7.9667 9.6446 1.8041 3.3158 0.2131 0.9330 2.8081 3.9605 0.0894 2.3690 2.8707 1.5994 23.1148 9.0089 1.8059 6.3428 0.1883 1.1570 6.0383 3.0168 8.0869 3.3812 5.2791 0.6311 0.6688 4.3583 0.8950 7.4753 0.1799 3.0258 10.0461 0.2431 6.0373 2.9708 10.0330 29.5973 16.7744 28.0054 41.0898 26.4041 22.1216 1.5663 12.3276 2.1556 24.9186 19.0470 39.0529 5.8552 8.4634 20.0283 12.8362 12.8523 46.0722 14.2762 13.8885 11.2889 6.3702 15.2599 9.4058 5.9813 6.7301 3.2213 6.8845 13.0391 43.0915 30.2413 0.5225 0.2087 4.3772 10.7840 7.4413 1.3325 41.8327 66.0319 15.2868 27.3996 12.8370 43.7675 17.1306 25.8313 5.9002 7.2144 7.4583 44.6027 93.7726 40.5399 31.3734 11.8105 191.4010 6.6294 12.4939 18.6935 21.8703 13.0866 96.7691 4.3898 63.2046 42.2547 138.9279 35.2639 147.4676 61.7246 68.4010 64.3765 89.4981 10.5966 49.9393 219.4356 7.7095 58.0929 187.1885 19.7414 14.0586 17.1496 37.8647 21.2303 134.9279 0.6071 59.4917 81.3288 44.4921 445.9811 221.5339 672.1660 321.3001 7.2437 5.6587 12.2972 7.3934 3.3446 2.6057 22.5720 11.5358 4.7700 10.3357 12.6067 1.7909 16.7444 7.7207 15.3826 8.1199 5.0091 0.2649 0.2374 4.2607 3.9042 4.7786 519.5788 2.7479 0.8822 2.7010 2.3376 5.1978 0.8304 1.4674 1.2870 0.1461 0.1815 0.1046 0.3418 0.5073 0.4592 1.2562 0.5059 1.0383 1.5111 2.8443 2.0160 2.2992 0.8767 1.8807 0.7059 1.7029 0.1001 0.6079 2.9478 1.2604 0.7650 2.0064 0.4815 1.8421 0.2322 1.9540 0.7492 0.5294 2.6926 2.8596 1.9532 2.4723 2.5708 4.5800 3.6929 0.7999 0.8689 1.8299 4.2997 6.0254 0.9306 2.4908 1.9250 6.4278 8.9383 3.4448 2.1475 2.7722 0.8365 1.7671 1.0971 8.8888 1.7804 4.2204 1.9982 6.5964 9.7252 10.4466 2.3370 0.5533 1.1499 0.8465 0.8722 2.7239 27.4879 3.3863 2.7383 5.7041 0.0787 0.2831 3.6681 6.4410 15.0973 1.3872 4.7836 2.6150 4.1971 3.7558 5.2447 10.2061 2.9663 6.1237 3.2993 12.5358 8.9000 2.0223 6.4675 57.9686 11.6638 8.0524 4.4738 8.1995 2.4968 5.4382 4.9845 6.4866 0.7585 4.3770 1.9185 2.0162 8.0060 4.8055 4.2676 2.9202 5.8168 11.7926 7.7930 9.8457 6.7581 9.1338 23.0249 26.3074 51.9930 6.2147 46.5987 3.3303 3.6952 23.0767 4.6722 47.4490 31.0213 18.3181 28.5011 3.4225 57.5286 72.1327 107.4410 101.3290 103.4273 20.9095 68.9969 18.9215 19.1473 213.2549 47.8855 48.8869 90.0615 105.1264 52.3870 33.9837 38.0256 22.0381 33.2605 94.0238 51.3998 136.4923 33.9428 35.8800 94.8015 81.2513 0.7458 0.7498 0.7490 0.7400 0.7431 0.7500 0.7465 0.7396 0.4419 0.6054 0.1711 0.5101 0.7201 0.4516 0.6912 0.3922 0.6721 0.5641 0.2365 0.7500 0.6843 0.5672 0.5560 0.2743 0.3634 0.5166 0.1099 0.5865 0.2540 0.7272 0.7469 0.4747 0.1278 0.5505 0.5582 0.6970 0.4000 0.2809 0.1235 0.4131 0.3884 0.4424 0.0316 0.1058 0.4323 0.6400 0.5927 0.1131 0.1096 0.3215 0.7264 0.7276 0.0591 0.2100 0.2926 0.7270 0.5935 0.5671 0.3077 0.7166 0.1887 0.4321 0.2513 0.7384 0.5186 0.1122 0.4605 0.3849 0.6829 0.7142 0.7440 0.6209 0.5547 0.1008 0.6948 0.4667 0.7432 0.7473 0.7343 0.1231 0.0943 0.2583 0.3436 0.4976 0.5981 0.7052 0.6130 0.6845 0.3433 0.6033 0.3379 0.7491 0.1888 0.4117 0.1503 0.2669 0.1583 0.2924 0.3786 0.6391 0.6519 0.7499 0.4187 0.7489 0.6905 0.5975 0.6958 0.7041 0.7494 0.3479 0.6726 0.7487 0.7340 0.2794 0.7497 0.6902 0.6325 0.7130 0.6498 0.7454 0.2455 0.2416 0.3557 0.4192 0.7304 0.6663 0.0982 0.2264 0.6596 0.5157 0.6989 0.7458 0.2236 0.1504 0.1434 0.1239 0.0312 0.0306 0.5197 0.0867 0.4466 0.4255 0.1367 0.7363 0.5872 0.4858 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0.8228 0.8544 0.3655 0.2615 0.2509 0.2204 0.0606 0.0594 0.6839 0.1596 0.6175 0.5969 0.2406 0.8481 0.7399 0.6539 0.6923 0.5461 0.7578 0.7198 0.7664 0.6974 0.4216 0.8085 0.3254 0.3848 0.3878 0.3875 0.4203 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 6 6 7 1 6 6 6 6 7 6 1 6 6 8 6 6 6 6 6 6 8 6 6 8 35 6 6 6 6 6 6 7 8 8 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 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 1.00783 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 78.91834 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 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 14900.1011 28093.6693 39803.5909 0.99895 0.04583 0.00271 -0.04585 0.99892 0.00797 -0.00235 -0.00809 0.99996 1 0.00581 0.00308 0.00218 0.12112 0.06424 0.04534 20.89 26.44 37.40 51.99 66.12 71.30 82.67 92.76 119.68 127.79 150.73 164.34 196.52 218.87 234.42 249.40 261.24 268.82 287.35 324.01 335.48 352.89 388.58 427.40 455.41 461.04 478.93 494.10 503.02 512.29 544.74 560.23 632.67 653.74 682.23 690.57 694.61 705.39 707.78 794.96 811.25 841.81 849.29 858.03 877.34 922.22 991.32 1009.93 1037.00 1078.25 1095.73 1128.26 1151.04 1177.36 1215.73 1227.46 1236.21 1243.71 1247.54 1294.81 1315.90 1332.71 1351.44 1366.78 1370.77 1394.67 1408.10 1462.23 1482.78 1520.51 1543.08 1557.00 1561.50 1570.64 1585.61 1592.48 1609.62 1619.32 1637.38 1682.33 1701.44 1702.14 1725.66 1739.05 1757.50 1763.82 1787.76 1794.52 1805.95 1829.72 1876.38 1889.80 1901.06 1918.89 1925.47 1949.09 1957.27 2023.27 2034.78 2040.94 2049.88 2074.61 2089.09 2130.08 2140.15 2181.82 2197.40 2220.21 2230.78 2249.53 2278.31 2278.95 2279.34 2318.57 2333.18 2339.27 2345.75 2352.79 2356.03 2359.98 2365.28 2365.76 2378.16 2382.75 2385.72 2389.98 2391.53 2405.84 2533.50 2569.39 2596.18 2601.48 2703.65 2704.47 2782.02 2857.15 4645.50 4647.24 4675.46 4678.49 4709.90 4713.17 4721.05 4745.47 4752.01 4758.46 4760.17 4777.57 4801.66 4818.41 4823.23 4848.51 4891.46 4895.96 4917.44 4925.86 4931.28 4950.14 5045.42 0.472116 0.499364 0.500308 0.410055 -3991.145608 -3991.118360 -3991.117416 -3991.207669 3.027100D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE CC[NH+](CC)CCN1[C@H](c2c(=O)c3cc(ccc3oc2C1=O)Br)c4cccc(c4)[N+](=O)[O-] C08834903 RHF 6-31G(d) (6D,10F) C1 500.082107 |X|Y|Z| 85.033440 115.263537 32.532973 68.318001 19 6 7 8 17 1 1 |36.858105| |12.516724|36.858105| |7.568758|12.647758|53.358707| |7.470169|9.296999|25.470381|0.500000| |5.982201|7.639949|17.221142|0.256473|36.858105| |4.427758|4.994523|10.291529|0.206133|12.518117|36.858105| |5.005166|7.652648|17.255455|0.259699|7.649840|5.991481|36.858105| |4.391426|5.899509|10.199869|0.207673|4.984038|4.442937|12.437818|36.858105| |3.777624|4.516805|7.997263|0.186533|4.404319|4.428464|7.589075|13.134881|53.358707| |2.923441|3.376270|5.594553|0.123689|3.408789|3.550478|5.179406|7.382445|17.560467|36.858105| |2.732346|3.196888|5.382537|0.114572|3.427753|3.640983|5.148436|6.472166|12.354821|17.574717|0.500000| |2.719540|2.976595|4.871775|0.112086|3.094924|3.373248|4.057242|5.136787|11.286064|12.660135|0.248316|36.858105| |2.257519|2.422379|3.840470|0.086174|2.544168|2.792634|3.126245|3.717911|6.923506|7.107359|0.176355|12.969192|36.858105| |2.043939|2.212722|3.459709|0.075669|2.315345|2.509065|2.866967|3.370520|5.890133|6.196724|0.168502|8.106869|15.952534|73.516695| |2.160232|2.247544|3.518740|0.079988|2.377275|2.645059|2.731451|3.128689|5.580410|4.880918|0.122939|7.812145|12.853713|14.243758|36.858105| |1.868264|1.929494|2.962987|0.066147|2.038752|2.253647|2.286509|2.559879|4.316268|3.706902|0.097306|5.085024|7.635798|11.775239|13.624965|36.858105| |1.769881|1.795749|2.726250|0.060934|1.898768|2.101156|2.055700|2.257516|3.707745|3.024247|0.079590|3.941180|5.076467|7.980359|7.944749|13.896723|36.858105| |1.886065|1.881433|2.853694|0.064630|1.992578|2.217963|2.102217|2.289150|3.756218|2.933106|0.076197|3.817354|4.471689|6.720172|6.857261|7.931130|13.651132|36.858105| |2.181537|2.165715|3.327683|0.077034|2.297748|2.579496|2.423046|2.657470|4.479194|3.402752|0.086370|4.612117|5.036388|7.064257|7.866690|6.838319|7.926640|13.853632|36.858105| |2.377677|2.417629|3.797440|0.088715|2.564397|2.884501|2.836765|3.206035|5.730979|4.510604|0.111183|6.938247|7.610701|9.380673|13.700563|7.937207|6.920108|8.003092|13.735355|36.858105| 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|2.120257|2.362716|3.358339|0.069932|2.114922|2.055775|2.886420|3.665121|5.093300|4.416064|0.111035|3.711802|3.462951|6.519552|2.836909|2.540971|2.188695|2.069207|2.213079|2.587064|4.789343|3.167986|3.164084|4.871254|64.947737|6.818517|7.935326|13.724082|36.858105| |2.125890|2.416139|3.521582|0.072474|2.238136|2.193020|3.130447|3.939882|5.487769|5.042974|0.134545|3.982717|3.706375|7.222451|2.924473|2.605378|2.212943|2.074760|2.218417|2.622657|4.853631|3.274295|3.272164|4.951387|65.527282|7.986673|6.962015|8.022863|13.827362|36.858105| |2.342852|2.705715|4.099808|0.084895|2.581959|2.565624|3.781136|4.943497|7.271806|7.602038|0.207475|5.252519|4.620212|8.949351|3.428825|2.942584|2.447850|2.298150|2.499317|3.045220|5.733148|4.059903|4.053867|5.867180|70.586862|13.786210|7.955594|6.860903|7.872075|13.754684|36.858105| |1.891112|2.143974|3.099781|0.062820|2.022630|1.982140|2.728004|3.223812|4.375244|3.848362|0.109017|3.175232|3.057976|6.061894|2.490987|2.286102|1.970424|1.839819|1.936455|2.239385|4.088837|2.680157|2.681804|4.168132|59.893313|5.130344|4.539325|5.130390|7.781040|13.043531|7.789411|53.358707| |1.746700|1.953556|2.774399|0.056283|1.821278|1.777463|2.383038|2.772159|3.737515|3.176360|0.088319|2.728667|2.665598|5.229480|2.238348|2.089022|1.826781|1.708599|1.783157|2.029116|3.679237|2.360908|2.358166|3.732543|56.397157|4.094742|3.914429|4.678410|7.091538|8.393690|5.434407|21.786444|73.516695| |1.866477|2.133994|3.127713|0.062767|2.072394|2.043934|2.786109|3.191676|4.315813|3.800327|0.113594|3.110023|3.000822|5.997847|2.437982|2.241815|1.931890|1.801723|1.893923|2.188710|3.995485|2.620258|2.629911|4.091795|58.885181|4.699751|3.924215|4.103646|5.434040|8.391973|7.124992|21.725867|15.994065|73.516695| |17.596338|8.724178|9.147645|0.183320|6.421866|4.775080|4.446042|3.775462|4.596888|2.678734|0.070727|2.538299|2.139182|3.447542|2.071848|1.805369|1.724713|1.847499|2.130581|2.291265|4.868879|2.896339|3.645865|8.121446|50.163706|2.401615|2.372029|2.105498|1.924297|1.944214|2.144914|2.380414|2.875852|3.093121|0.500000| |17.577131|8.807236|9.351160|0.220839|5.248238|4.272417|4.777986|4.539605|5.576902|3.123222|0.079171|2.971146|2.440440|3.869640|2.359162|2.019495|1.917030|2.064270|2.423773|2.645665|5.798570|3.490454|4.608776|11.016627|54.853772|2.815242|2.867538|2.499641|2.214975|2.196724|2.428831|2.623411|3.163954|3.353680|0.300526|0.500000| |17.586916|8.944669|7.546076|0.148666|4.622307|3.569553|4.165562|3.800900|4.436658|2.611246|0.067902|2.427302|2.051034|3.337698|1.965634|1.721174|1.637140|1.737157|1.984339|2.142281|4.497183|2.711264|3.391762|7.246837|47.946690|2.442353|2.480332|2.243843|2.039117|2.022759|2.186895|2.467832|3.007506|3.164519|0.303056|0.301788|0.500000| |8.753980|17.609776|12.387763|0.182263|7.393467|4.677639|6.655472|4.913384|5.189430|2.997405|0.080979|2.636424|2.194493|3.618913|2.034721|1.771254|1.652709|1.720086|1.952630|2.160486|4.516453|2.845085|3.647578|7.344850|48.380788|2.741755|2.629025|2.349028|2.198902|2.268738|2.514084|2.797171|3.342593|3.672444|0.208495|0.172211|0.211264|0.500000| |8.886444|17.650722|12.363842|0.212402|5.635664|4.139660|7.579597|6.817609|6.576022|3.595923|0.092681|3.086783|2.494608|4.071238|2.283232|1.956439|1.807517|1.879499|2.156411|2.428513|5.175742|3.354710|4.522804|9.118869|52.248651|3.358227|3.316643|2.910813|2.640749|2.670133|2.965686|3.183250|3.788048|4.087201|0.172796|0.211958|0.216677|0.302710|0.500000| |6.958434|7.573041|12.390104|0.210876|17.668044|8.885104|5.644574|4.127333|5.043731|2.938866|0.080875|2.737234|2.294417|3.715818|2.186379|1.896573|1.790824|1.896176|2.179654|2.382469|5.041469|3.068661|3.866064|8.176584|51.950218|2.527994|2.377493|2.082199|1.942379|2.025695|2.291967|2.504519|2.980545|3.327378|0.240184|0.159531|0.146472|0.210391|0.148530|0.500000| |4.974714|6.658776|12.392063|0.181762|17.609272|8.759998|7.391580|4.663628|5.417690|3.206971|0.091863|2.846375|2.379181|3.925125|2.197158|1.907436|1.770372|1.834597|2.081808|2.319399|4.822642|3.045740|3.805581|7.358260|51.602294|2.746292|2.491210|2.182739|2.080284|2.225883|2.553976|2.780899|3.267667|3.762770|0.144593|0.119136|0.114607|0.206646|0.144764|0.302751|0.500000| |3.833482|4.159802|7.543109|0.147863|8.946549|17.588562|4.627880|3.579110|4.841378|2.999987|0.086398|2.891336|2.480903|4.020100|2.382436|2.074459|1.957176|2.064383|2.360838|2.579667|5.341208|3.198142|3.739253|7.299272|56.613882|2.477355|2.252399|1.958166|1.851742|1.973671|2.274972|2.466281|2.910253|3.337416|0.118652|0.101161|0.088844|0.113571|0.096894|0.216503|0.211529|0.500000| |3.797887|4.438918|9.136654|0.182829|8.722338|17.586677|6.432136|4.809130|6.761050|4.069138|0.120601|3.795432|3.112395|4.989068|2.874914|2.427907|2.224501|2.312399|2.678998|3.066348|6.500904|4.150297|5.026774|9.169137|62.958011|3.154804|2.756749|2.327917|2.195598|2.385710|2.852428|2.932287|3.393209|3.993340|0.108617|0.103598|0.087540|0.115906|0.107957|0.172765|0.208555|0.303086|0.500000| |4.564845|4.760263|9.332092|0.218669|8.803108|17.580612|5.254428|4.286925|6.150403|3.586878|0.098977|3.569372|2.939336|4.591209|2.857399|2.408241|2.266483|2.440577|2.901778|3.225575|7.108582|4.243054|5.245852|11.152952|63.584402|2.857627|2.627373|2.224065|2.048666|2.156632|2.515538|2.625916|3.089299|3.497525|0.137619|0.129292|0.100836|0.118010|0.111216|0.211869|0.172227|0.301856|0.300558|0.500000| |4.136005|5.642876|12.315254|0.209407|7.583603|6.925765|17.665707|8.862835|9.794611|5.355855|0.160281|4.225817|3.285280|5.383656|2.845298|2.380787|2.127164|2.160975|2.480971|2.921106|6.199876|4.317283|5.735748|9.614715|60.455314|4.184082|3.501474|2.907148|2.759382|3.066665|3.786171|3.693100|4.175963|5.038432|0.107869|0.110972|0.096894|0.145463|0.148595|0.148700|0.212559|0.146387|0.238501|0.158155|0.500000| |4.716413|7.493031|12.418374|0.183647|6.580535|4.925143|17.611681|8.829889|7.618484|4.293795|0.120860|3.397241|2.729015|4.559096|2.396215|2.049824|1.854032|1.883972|2.135051|2.456804|5.126347|3.459299|4.530994|8.037987|53.702686|3.832052|3.391720|2.934436|2.805836|3.048733|3.565647|3.707011|4.258870|4.975165|0.116303|0.119213|0.114542|0.207732|0.215601|0.143849|0.202344|0.113464|0.142914|0.118444|0.302363|0.500000| |3.644572|4.775262|7.586723|0.147688|4.144940|3.750877|8.989858|17.636077|12.652496|7.335189|0.190289|4.775453|3.612487|6.068404|2.964491|2.470547|2.160422|2.150603|2.443499|2.932492|6.109206|4.461831|5.772579|8.718388|61.492880|7.055652|5.650873|4.506620|4.218201|4.744093|6.108982|5.222939|5.712121|6.787802|0.088685|0.102411|0.091242|0.118617|0.154478|0.097138|0.113818|0.087312|0.114683|0.098729|0.206926|0.226300|0.500000| |4.958608|6.545742|9.572389|0.201634|4.562453|3.936790|8.775683|17.579043|12.454567|5.855672|0.137828|4.509907|3.373037|5.422378|2.928706|2.421727|2.166299|2.218390|2.577603|3.053489|6.661969|4.756704|6.987333|11.838044|61.093425|5.474701|5.337963|4.240501|3.657644|3.720250|4.376554|4.131125|4.758389|5.202968|0.112338|0.146300|0.121249|0.143533|0.238673|0.110937|0.116783|0.089939|0.112239|0.108652|0.173843|0.203459|0.304857|0.500000| |1.750098|1.824313|2.787182|0.061365|1.921285|2.105513|2.182446|2.443234|4.049028|3.570737|0.095897|4.637486|7.119689|13.130522|8.938005|17.766177|8.922074|5.631930|4.937890|5.659514|7.459813|4.022317|3.083501|4.738293|218.585848|3.317115|3.153779|2.793336|2.610990|2.706041|3.027405|3.272187|3.907878|4.203054|0.046905|0.052055|0.045046|0.046891|0.051620|0.049524|0.050517|0.054115|0.063382|0.061514|0.063321|0.054936|0.066771|0.063916|0.500000| |1.771069|1.748797|2.622708|0.059057|1.848691|2.048371|1.911809|2.055374|3.295185|2.528565|0.066217|3.158153|3.572173|5.557836|4.946968|5.655356|8.897745|17.757150|8.966286|5.675934|7.586514|3.393115|2.753372|4.651452|220.393927|2.290037|2.302343|2.056940|1.866119|1.862589|2.036897|2.272898|2.779616|2.909404|0.048497|0.053681|0.045585|0.044647|0.048346|0.049367|0.047384|0.053557|0.058665|0.062558|0.054393|0.047992|0.053721|0.055744|0.124074|0.500000| |2.286327|2.222723|3.391131|0.079230|2.354910|2.643514|2.405138|2.598986|4.294967|3.123649|0.079285|4.040273|4.111411|5.922913|5.625942|4.936754|5.627035|8.899814|17.751416|8.938367|13.329068|4.944647|3.899477|6.760406|130.016212|2.702364|2.727993|2.341879|2.067581|2.060850|2.306062|2.459105|2.971164|3.141860|0.062492|0.071239|0.057635|0.055448|0.060939|0.062890|0.058654|0.067417|0.074657|0.084161|0.067823|0.058861|0.065560|0.070906|0.107317|0.214227|0.500000| 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