Version2.0 2020-02-02T09:31:27Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-Nov-2019 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCCOc1ccc(cc1OCC)[C@H]2C(=C(C(=O)N2CCC[NH+](CC)CC)[O-])C(=O)c3ccncc3 C33381947 RHF 6-31G(d) (6D,7F) CCCOc1ccc(cc1OCC)[C@H]2C(=C(C(=O)N2CCC[NH+](CC)CC)[O-])C(=O)c3ccncc3 C01[X(C28H37N3O5)] 213 C1 614 CCCOc1ccc(cc1OCC)[C@H]1C(=C(C(=O)N1CCC[NH+](CC)CC)[O-])C(=O)c1ccncc1 CCCOc1ccc(cc1OCC)[C@H]1C(=C(C(=O)N1CCC[NH+](CC)CC)[O-])C(=O)c1ccncc1 CCCOc1ccc(cc1OCC)[C@@H]2N(CCC[NH+](CC)CC)C(=O)C(=C2C(=O)c3ccncc3)[O-] InChIKey=BEXVXXJQKJRPRW-VWLOTQADSA-N InChI=1S/C28H37N3O5/c1-5-18-36-22-11-10-21(19-23(22)35-8-4)25-24(26(32)20-12-14-29-15-13-20)27(33)28(34)31(25)17-9-16-30(6-2)7-3/h10-15,19,25,33H,5-9,16-18H2,1-4H3/t25-/m0/s1 InChI=1/C28H37N3O5/c1-5-18-36-22-11-10-21(19-23(22)35-8-4)25-24(26(32)20-12-14-29-15-13-20)27(33)28(34)31(25)17-9-16-30(6-2)7-3/h10-15,19,25,33H,5-9,16-18H2,1-4H3/t25-/m0/s1/f/h33h,30H CCCOc1ccc(cc1OCC)[C@H]2C(=C(C(=O)N2CCC[NH+](CC)CC)[O-])C(=O)c3ccncc3 C01[X(C28H37N3O5)] 213 C01 614 CCCOc1ccc(cc1OCC)[C@H]1C(=C(C(=O)N1CCC[NH+](CC)CC)[O-])C(=O)c1ccncc1 CCCOc1ccc(cc1OCC)[C@@H]1N(CCC[NH](CC)CC)C(=O)C(=O)[C@@H]1C(=O)c1ccncc1 CCCOc1ccc(cc1OCC)[C@H]2[C@H](C(=O)C(=O)N2CCC[NH](CC)CC)C(=O)c3ccncc3 InChIKey=SOOOFCUUSIUUQS-DQEYMECFSA-N InChI=1S/C28H38N3O5/c1-5-18-36-22-11-10-21(19-23(22)35-8-4)25-24(26(32)20-12-14-29-15-13-20)27(33)28(34)31(25)17-9-16-30(6-2)7-3/h10-15,19,24-25,30H,5-9,16-18H2,1-4H3/t24-,25-/m0/s1 InChI=1/C28H38N3O5/c1-5-18-36-22-11-10-21(19-23(22)35-8-4)25-24(26(32)20-12-14-29-15-13-20)27(33)28(34)31(25)17-9-16-30(6-2)7-3/h10-15,19,24-25,30H,5-9,16-18H2,1-4H3/t24-,25-/m0/s1 4097.7684176922 -1619.4117844 1-A 18904.7151 133 481 614 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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 13.4242 15.3730 19.7909 22.0882 30.3788 42.0307 43.4545 46.2577 50.0759 58.2212 64.5438 69.9740 79.0888 82.0094 94.9437 98.7053 99.1183 105.5680 117.0722 137.4807 143.9151 164.6751 173.4277 183.5121 197.8881 206.0871 227.7585 235.3540 249.1609 253.1003 256.4228 269.4300 278.6103 288.3786 300.1332 320.1967 329.0944 334.0457 348.1222 348.9535 368.2661 371.6000 394.0059 399.9839 442.4267 444.9159 465.4935 483.5677 488.8395 508.8946 526.4803 543.0978 582.8416 590.6751 608.5968 654.4822 661.8477 669.2250 703.5097 719.8537 734.5761 783.2611 805.7348 811.7782 826.8518 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4.6138 15.6634 12.2690 8.4516 5.5827 10.9648 7.8524 2.0527 13.3357 15.5248 11.5916 8.1112 8.7977 5.8301 22.0207 5.9195 5.6245 39.6636 10.9491 1.2238 17.9067 0.9037 77.2877 7.3400 79.3955 11.4144 2.7390 17.4350 5.5865 24.3800 29.4628 42.3565 8.6310 104.0183 6.0448 5.3905 2.4759 4.5737 23.6743 19.4571 10.5801 1.5275 84.7985 120.7368 150.7579 12.8025 1.7565 12.2011 135.4671 54.1717 211.6206 23.6295 11.4646 6.1216 3.4427 0.3877 10.4244 36.6435 63.1317 71.0515 30.6029 659.9116 13.3897 47.0043 26.6121 21.9950 53.2842 12.2886 85.6015 11.0606 6.1886 63.7339 95.9843 67.5279 369.7985 5.1187 6.3051 10.7950 11.8210 0.9067 8.5871 10.5103 6.4349 2.4979 3.2375 3.8591 10.7680 15.1482 7.8702 87.9061 7.0202 0.0403 155.7433 39.2912 5.0497 16.7430 53.7716 388.8790 756.6791 496.3277 43.6708 13.8397 58.5009 29.2762 21.2962 11.4579 2.6984 37.7604 19.8860 9.9678 6.6460 3.6657 0.3387 12.4969 81.8984 26.1487 49.1861 2.0928 13.1694 42.9772 9.8151 63.9393 37.9266 12.4351 9.0701 2.5222 11.1686 19.8193 42.9468 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12.1539 11.2047 7.9058 6.8155 8.3788 1.2236 3.1249 5.9373 2.8595 6.4496 3.3166 1.6197 3.6382 3.8777 2.2702 11.0595 4.6525 4.3187 20.2299 12.8607 14.6252 15.6500 29.6911 8.2823 14.0942 20.6422 17.3696 3.7470 0.3738 8.0393 8.9937 5.7591 7.9288 0.7403 5.6824 2.8050 4.0109 6.4898 41.3771 13.7891 80.0121 65.2798 35.4455 35.6147 16.7662 116.8082 85.8406 97.1606 82.5053 130.6254 25.9841 79.1229 89.1064 33.8874 28.0794 77.9647 91.4193 19.1214 14.2003 101.9125 49.3695 57.7701 82.5566 32.7684 8.5445 130.8299 43.5207 74.1300 52.9987 48.0622 23.6620 106.2814 101.1050 36.7102 65.4830 75.4403 38.0879 66.3272 92.3407 12.5159 0.7253 0.7204 0.7430 0.7403 0.7488 0.7469 0.7271 0.7055 0.6844 0.7359 0.7500 0.7445 0.7039 0.7369 0.6728 0.4563 0.7438 0.6355 0.7375 0.7279 0.5892 0.7479 0.7458 0.3259 0.5223 0.7457 0.2961 0.3654 0.0968 0.0365 0.6143 0.4060 0.0534 0.2807 0.1840 0.3192 0.7380 0.6490 0.2069 0.5946 0.3874 0.2184 0.1946 0.6685 0.3834 0.6916 0.6832 0.6213 0.2252 0.6826 0.2695 0.2460 0.1957 0.3930 0.4729 0.3797 0.7220 0.6477 0.3199 0.0922 0.7486 0.3396 0.6313 0.0709 0.2469 0.0839 0.2091 0.1193 0.6575 0.4399 0.4181 0.5380 0.4320 0.0308 0.1766 0.3165 0.6206 0.4919 0.5751 0.5013 0.3313 0.5520 0.4364 0.5680 0.6407 0.5453 0.2995 0.5506 0.1415 0.0887 0.6537 0.7046 0.4951 0.4596 0.7154 0.7283 0.3259 0.5352 0.7495 0.6822 0.5842 0.3195 0.3070 0.1533 0.7063 0.3330 0.2712 0.3197 0.6739 0.0931 0.5272 0.7202 0.7428 0.2349 0.1700 0.4032 0.7224 0.4376 0.1410 0.0792 0.2776 0.7479 0.6919 0.6830 0.0997 0.5715 0.0811 0.7489 0.7418 0.7341 0.2466 0.4407 0.3902 0.6524 0.7450 0.6870 0.6804 0.6831 0.4579 0.3931 0.4394 0.5093 0.5195 0.7292 0.6350 0.7472 0.7255 0.5770 0.5123 0.6533 0.4212 0.7497 0.7231 0.5755 0.7378 0.6980 0.7447 0.7489 0.7496 0.7263 0.7307 0.3704 0.7340 0.5968 0.5738 0.4513 0.1003 0.6909 0.2873 0.6759 0.3941 0.6077 0.6532 0.6619 0.2642 0.2851 0.2049 0.2815 0.0153 0.0232 0.1419 0.0412 0.0146 0.2167 0.1173 0.7424 0.1196 0.7442 0.7146 0.4823 0.7322 0.0888 0.5831 0.3740 0.5190 0.6674 0.3274 0.5175 0.1583 0.3509 0.6525 0.5702 0.4363 0.6429 0.5721 0.2286 0.2662 0.4104 0.1540 0.7045 0.1947 0.1298 0.1713 0.8408 0.8374 0.8526 0.8508 0.8564 0.8551 0.8420 0.8274 0.8126 0.8479 0.8571 0.8535 0.8262 0.8485 0.8044 0.6266 0.8531 0.7771 0.8489 0.8425 0.7415 0.8558 0.8544 0.4916 0.6862 0.8543 0.4569 0.5353 0.1765 0.0704 0.7611 0.5776 0.1015 0.4383 0.3108 0.4839 0.8492 0.7871 0.3429 0.7458 0.5584 0.3585 0.3258 0.8013 0.5543 0.8177 0.8118 0.7664 0.3676 0.8114 0.4245 0.3948 0.3274 0.5642 0.6421 0.5504 0.8386 0.7862 0.4847 0.1688 0.8563 0.5070 0.7740 0.1324 0.3960 0.1548 0.3459 0.2132 0.7934 0.6111 0.5897 0.6996 0.6033 0.0598 0.3003 0.4809 0.7659 0.6594 0.7303 0.6678 0.4977 0.7114 0.6077 0.7245 0.7810 0.7058 0.4609 0.7101 0.2479 0.1630 0.7906 0.8267 0.6623 0.6297 0.8341 0.8428 0.4916 0.6972 0.8568 0.8111 0.7376 0.4843 0.4698 0.2658 0.8279 0.4996 0.4267 0.4845 0.8052 0.1704 0.6904 0.8374 0.8524 0.3805 0.2905 0.5746 0.8389 0.6088 0.2471 0.1467 0.4345 0.8558 0.8179 0.8116 0.1814 0.7274 0.1500 0.8565 0.8518 0.8466 0.3957 0.6118 0.5614 0.7897 0.8539 0.8145 0.8098 0.8117 0.6281 0.5644 0.6105 0.6749 0.6838 0.8434 0.7768 0.8553 0.8409 0.7317 0.6775 0.7903 0.5927 0.8570 0.8393 0.7305 0.8491 0.8221 0.8537 0.8564 0.8569 0.8414 0.8444 0.5405 0.8466 0.7475 0.7292 0.6219 0.1824 0.8172 0.4464 0.8066 0.5654 0.7560 0.7902 0.7965 0.4180 0.4437 0.3400 0.4394 0.0301 0.0453 0.2486 0.0790 0.0287 0.3562 0.2100 0.8521 0.2137 0.8533 0.8336 0.6507 0.8454 0.1632 0.7367 0.5444 0.6834 0.8005 0.4933 0.6821 0.2734 0.5196 0.7897 0.7263 0.6075 0.7827 0.7278 0.3721 0.4204 0.5820 0.2669 0.8266 0.3260 0.2298 0.2925 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 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 6 6 6 8 6 6 6 6 6 6 8 6 6 6 1 6 6 6 8 7 6 6 6 7 1 6 6 6 6 8 6 8 6 6 6 7 6 6 1 1 1 1 1 1 1 1 1 1 1 1 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 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 12.00000 12.00000 14.00307 12.00000 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 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 16411.6448 20717.2729 29483.9464 0.99948 -0.03104 -0.00870 0.03084 0.99927 -0.02250 0.00939 0.02222 0.99971 1 0.00528 0.00418 0.00294 0.10997 0.08711 0.06121 19.31 22.12 28.47 31.78 43.71 60.47 62.52 66.55 72.05 83.77 92.86 100.68 113.79 117.99 136.60 142.01 142.61 151.89 168.44 197.80 207.06 236.93 249.52 264.03 284.72 296.51 327.69 338.62 358.49 364.15 368.94 387.65 400.86 414.91 431.82 460.69 473.49 480.62 500.87 502.07 529.85 534.65 566.89 575.49 636.55 640.13 669.74 695.75 703.33 732.19 757.49 781.40 838.58 849.85 875.64 941.65 952.25 962.87 1012.19 1035.71 1056.89 1126.94 1159.27 1167.97 1189.66 1191.87 1212.37 1229.79 1237.33 1246.30 1249.57 1255.60 1273.27 1283.94 1296.26 1307.11 1357.30 1372.64 1375.45 1390.26 1417.91 1420.55 1423.54 1431.48 1477.93 1485.26 1507.34 1565.46 1571.14 1578.92 1583.71 1589.50 1603.71 1606.58 1610.58 1614.55 1633.56 1656.65 1663.21 1680.05 1687.51 1693.19 1704.03 1729.36 1747.11 1777.38 1786.89 1792.97 1794.51 1802.91 1857.75 1861.50 1863.63 1873.56 1876.97 1890.30 1919.29 1938.23 1949.02 1957.08 1983.51 2002.75 2006.16 2023.54 2031.33 2048.47 2059.35 2062.70 2082.05 2086.40 2100.15 2113.18 2115.06 2119.98 2144.11 2186.18 2190.90 2204.34 2216.46 2230.19 2253.27 2256.37 2256.69 2264.89 2268.09 2275.52 2278.13 2283.09 2291.39 2294.29 2298.78 2344.21 2348.32 2350.87 2354.27 2356.40 2358.09 2358.51 2366.66 2367.60 2369.80 2380.80 2387.11 2391.18 2400.50 2410.51 2411.20 2414.60 2436.42 2528.16 2560.28 2606.57 2609.66 2629.38 2817.01 2824.20 4587.25 4595.78 4609.75 4620.43 4624.64 4631.92 4636.41 4636.81 4641.89 4654.27 4673.86 4675.35 4699.78 4705.87 4708.70 4708.83 4713.00 4714.86 4718.44 4719.39 4732.71 4735.54 4738.32 4750.05 4758.93 4771.91 4801.54 4810.29 4816.02 4824.70 4831.39 4856.19 4872.25 4875.66 4893.88 4898.12 5317.43 0.666731 0.701948 0.702893 0.593681 -1618.745054 -1618.709836 -1618.708892 -1618.818104 3.662988D-04 MUNgauss RevisionA2.0 retrievium 02-Feb-2020 DUDE CCCOc1ccc(cc1OCC)[C@H]2C(=C(C(=O)N2CCC[NH+](CC)CC)[O-])C(=O)c3ccncc3 C33381947 RHF 6-31G(d) (6D,10F) C1 495.273322 |X|Y|Z| 84.595083 96.878446 48.604905 73.578477 18 6 7 16 2 |36.858105| |12.465432|36.858105| |7.536040|12.545741|36.858105| |5.095357|8.047597|13.535201|73.516695| |3.889404|5.221381|7.979789|24.991911|36.858105| |3.590185|4.380521|6.660408|13.942673|13.733514|36.858105| |2.852401|3.329111|4.490543|9.203626|7.901086|13.725206|36.858105| |2.515061|2.960488|3.762403|8.123474|6.764360|7.876097|13.742042|36.858105| |2.621147|3.198639|3.984420|9.369420|7.918190|6.926066|8.024883|13.695581|36.858105| |3.151038|4.084376|5.251976|14.465948|13.660504|7.965848|6.897861|7.856739|13.776557|36.858105| |3.065421|4.038202|4.672637|12.581496|7.963361|5.228444|4.618733|5.206176|8.022245|13.962865|73.516695| |3.063879|3.990817|4.343152|10.596490|6.026615|4.320549|3.849092|4.223746|5.844944|8.085268|23.875336|36.858105| |2.775667|3.517318|3.540999|8.007201|4.277412|3.295857|2.996652|3.259037|4.225082|5.231411|14.276798|12.580653|36.858105| |2.098412|2.391509|2.896921|5.942635|4.381355|4.969502|7.460856|12.408757|7.491124|4.979260|6.897139|3.325572|2.730351|36.858105| |1.982145|2.264782|2.680397|5.548407|3.977829|4.201276|5.630018|8.973599|7.317067|4.783873|6.984096|3.440727|2.850765|17.525038|0.500000| |1.980475|2.195207|2.640267|5.153600|3.641039|4.332925|6.304597|7.361714|4.982455|3.820264|5.480352|2.771363|2.317461|12.561872|0.241134|36.858105| |1.847020|2.017993|2.398047|4.593443|3.143319|3.741540|5.102181|5.405730|3.957936|3.211473|4.739069|2.381273|2.045882|7.891815|0.166242|13.439197|36.858105| |1.846271|2.041102|2.414929|4.724685|3.235678|3.737221|4.968527|5.548823|4.210008|3.381782|5.030244|2.448469|2.127286|8.043827|0.170757|8.081472|12.357699|36.858105| |1.737430|1.903359|2.217727|4.288609|2.848995|3.227636|4.009182|4.275777|3.489757|2.939332|4.501307|2.196946|1.949497|5.426419|0.126679|5.397397|7.677469|15.860261|73.516695| |1.972628|2.230653|2.661371|5.405821|3.831774|4.291369|5.886703|7.764685|5.740515|4.238731|6.158669|2.908660|2.484417|13.015551|0.255374|8.208929|8.164745|14.045530|15.005803|53.358707| |1.944885|2.221893|2.603653|5.395211|3.726465|3.898306|4.809199|6.157247|5.532071|4.266099|6.503278|2.976163|2.608692|7.436753|0.188355|5.125876|5.132852|7.844873|12.203042|18.130869|36.858105| |2.139952|2.465012|2.915118|6.074943|4.148961|4.322268|4.979181|5.638572|5.261312|4.515764|6.857940|3.030317|2.668616|5.506903|0.133903|4.169579|4.249999|5.965392|10.293261|10.543968|12.409660|36.858105| |2.046812|2.363744|2.692197|5.626657|3.612631|3.517659|3.744313|4.168359|4.319467|3.995691|6.635222|2.935256|2.705518|4.003923|0.105183|3.177132|3.200883|4.149464|7.491865|6.809846|7.495155|12.489850|36.858105| |2.273585|2.652095|2.988863|6.248627|3.821417|3.609618|3.572403|3.729129|3.958495|4.022689|6.861988|3.005575|2.808146|3.357017|0.087501|2.763671|2.756376|3.362257|6.029464|5.280121|4.967035|7.632442|12.595578|53.358707| |2.388997|2.762075|3.170457|6.477285|3.972733|3.904217|3.827282|3.810145|3.869477|3.958606|6.482493|2.873832|2.636002|3.390893|0.085908|2.849363|2.884153|3.510930|6.348743|5.356590|4.787319|7.710115|9.334595|25.716555|0.500000| |2.588034|3.149652|3.537475|7.875978|4.692846|4.043795|3.786564|3.982833|4.599482|5.108305|9.264884|3.801793|3.556058|3.366258|0.089315|2.728156|2.611784|3.051243|5.241475|4.924643|4.410767|5.974641|7.653925|17.136403|0.258489|36.858105| |3.096189|3.848825|4.243446|9.247385|4.940633|4.181471|3.627375|3.551293|3.986646|4.774251|8.646011|3.712118|3.478954|2.937607|0.076895|2.481467|2.378339|2.678922|4.606353|4.159166|3.459900|4.488453|5.014946|10.273345|0.208141|12.539061|36.858105| |2.052913|2.341461|2.537398|5.119716|2.998837|2.841163|2.793446|2.886126|3.046703|3.117412|5.529327|2.547099|2.473798|2.684063|0.071304|2.293191|2.315738|2.764928|5.084754|4.165037|3.779285|5.033095|7.584729|17.282839|0.259184|7.616914|5.928843|36.858105| |1.888354|2.097595|2.274272|4.435768|2.605419|2.566736|2.562100|2.594358|2.629458|2.639727|4.565162|2.163114|2.084452|2.480270|0.065136|2.185126|2.270330|2.720924|5.187825|3.919571|3.456026|4.505981|5.970004|10.321250|0.207575|4.984848|4.395141|12.518972|36.858105| |1.728462|1.855987|2.177184|4.074307|2.707112|3.202919|4.099312|4.104198|3.191045|2.708039|4.087618|2.088494|1.820628|5.282633|0.121942|7.881041|15.821326|7.985257|11.650536|7.503881|4.000482|3.499563|2.757290|3.306917|0.071036|2.288715|2.123176|2.093347|2.091060|73.516695| |1.974023|2.162703|2.582481|4.931658|3.406768|4.015590|5.414184|5.814221|4.336246|3.505791|5.119359|2.702526|2.251589|7.314898|0.177107|13.335669|7.548743|5.078584|6.927774|6.994376|3.767085|3.244473|2.617351|3.208799|0.067328|2.382227|2.224371|1.997839|1.901867|10.953844|36.858105| |1.884417|2.022668|2.387682|4.428447|2.961207|3.499169|4.427821|4.393821|3.459484|2.953555|4.414437|2.364128|2.004289|5.109970|0.126711|8.078803|6.410954|4.302611|6.214210|5.554569|3.137693|2.794562|2.301662|2.867959|0.060612|2.113860|2.008068|1.816443|1.752583|11.025248|15.745141|73.516695| |2.032476|2.252715|2.666088|5.171906|3.562165|3.962216|5.002243|5.703580|4.706227|3.802654|5.625554|3.082314|2.520836|6.320854|0.177705|7.526493|4.921513|3.937851|5.616147|5.887217|3.431851|2.978617|2.488509|3.087473|0.063748|2.364389|2.211600|1.929685|1.804234|7.392262|12.492507|14.597714|36.858105| |2.208614|2.432735|2.882570|5.465329|3.684118|4.072363|4.749853|4.918602|4.311059|3.774537|5.628040|3.203537|2.586891|4.723395|0.129297|5.249220|3.865089|3.217513|4.765738|4.751663|2.909794|2.653301|2.264928|2.895427|0.060081|2.256496|2.168179|1.823119|1.700809|6.092052|7.557978|11.588446|13.718532|36.858105| |2.183037|2.413606|2.778060|5.297686|3.445072|3.559000|3.877813|4.112748|3.972159|3.621899|5.672674|3.411081|2.766892|3.862258|0.111222|3.968716|3.090190|2.708432|4.113998|4.054543|2.600629|2.390078|2.103016|2.714286|0.055665|2.150173|2.073608|1.728324|1.598951|4.933305|5.031601|7.998057|7.980354|13.791205|36.858105| |2.001750|2.229655|2.513394|4.897970|3.155712|3.141759|3.426753|3.839587|3.894395|3.484471|5.677451|3.470489|2.877046|3.736527|0.114030|3.680616|2.898438|2.609418|3.987110|3.968669|2.600113|2.344308|2.095839|2.676254|0.054130|2.125081|2.015798|1.714094|1.576413|4.600581|4.409244|6.858909|6.812142|7.977933|14.388039|53.358707| |1.871716|2.092027|2.369851|4.686166|3.078145|3.091877|3.516003|4.165769|4.161163|3.500375|5.662866|3.318322|2.784864|4.364970|0.141853|4.244479|3.260862|2.936073|4.423458|4.531032|2.930899|2.545215|2.256336|2.812945|0.056540|2.205366|2.044773|1.794046|1.650988|5.077610|4.994333|7.386910|7.974288|7.073589|8.452503|19.644069|36.858105| |1.877690|2.094858|2.421240|4.785789|3.237225|3.395876|4.117054|5.042023|4.593560|3.645415|5.637075|3.131834|2.608604|5.852532|0.193522|6.007910|4.245116|3.655010|5.307458|5.650809|3.440433|2.891843|2.477907|3.030156|0.061391|2.330130|2.138756|1.909027|1.770594|6.392137|7.440509|9.859506|13.733538|8.042360|7.074772|10.860903|13.752864|36.858105| |17.567337|8.798658|5.491370|7.480962|3.299247|3.020405|2.478521|2.237239|2.351092|2.792587|4.969677|2.840407|2.664472|1.898417|0.050312|1.791883|1.678117|1.683095|2.832680|2.443636|1.784238|1.952184|1.895329|2.866137|0.060849|2.392646|2.845810|1.935206|1.781290|2.802932|1.787312|3.040614|1.847271|1.997802|1.997502|2.524388|1.735751|1.727548|0.500000| |17.536882|8.759356|6.809441|8.310725|3.706434|3.556103|2.838605|2.468310|2.524667|2.983305|5.070092|2.767615|2.513145|2.074602|0.053929|1.969819|1.862573|1.869716|3.152836|2.691622|1.950637|2.173368|2.074735|3.165663|0.068899|2.600528|3.154150|2.108796|1.963773|3.116183|1.946413|3.320532|1.968614|2.115211|2.057498|2.565944|1.782074|1.809856|0.301994|0.500000| |17.544629|8.765193|6.814079|8.301134|3.749133|3.567741|2.863640|2.506560|2.577195|3.046001|5.178854|2.968392|2.648314|2.100117|0.055084|2.010932|1.864141|1.834337|3.050420|2.653315|1.893987|2.052415|1.937807|2.873745|0.061563|2.373487|2.751623|1.899829|1.760420|3.114706|2.037367|3.486041|2.109047|2.333349|2.312625|2.845681|1.930454|1.930022|0.302097|0.301574|0.500000| |8.825324|17.537897|8.936099|13.126821|4.871930|4.024004|3.130163|2.839616|3.106993|3.968708|7.234041|3.887679|3.574434|2.315649|0.061128|2.100921|1.951909|2.008973|3.363646|2.997283|2.238555|2.525632|2.480338|3.893105|0.082407|3.464592|4.462205|2.551839|2.258030|3.188286|2.037791|3.375906|2.106005|2.229225|2.206958|2.820947|1.973791|1.983101|0.212013|0.209959|0.172548|0.500000| |8.825646|17.552360|8.943397|13.082846|4.968403|4.040504|3.163472|2.897689|3.205387|4.118031|7.556209|4.506133|3.994598|2.350938|0.062811|2.150644|1.953686|1.965501|3.240788|2.944844|2.154452|2.341985|2.256716|3.387122|0.070686|2.977454|3.500446|2.206153|1.964469|3.186734|2.142141|3.549112|2.279387|2.487175|2.528662|3.203146|2.179780|2.143223|0.212021|0.172502|0.210080|0.303511|0.500000| |6.839907|8.831827|17.547414|16.527606|7.268381|6.804449|4.657860|3.816297|3.920572|4.939417|7.582405|4.155073|3.323156|2.948195|0.075622|2.752821|2.465571|2.417016|3.903596|3.594557|2.516625|2.739410|2.483648|3.637559|0.078479|3.076133|3.501394|2.280473|2.073216|3.996511|2.767626|4.586637|2.888395|3.227357|3.103856|3.715781|2.523127|2.570029|0.140135|0.167855|0.202441|0.174021|0.213171|0.500000| |6.881444|8.851468|17.524133|16.495315|6.932262|6.700763|4.540569|3.674776|3.729921|4.664307|7.224165|3.640335|3.058994|2.872576|0.072553|2.645953|2.458762|2.495759|4.119648|3.683912|2.648236|3.041422|2.786921|4.281561|0.095478|3.614792|4.457093|2.666325|2.426751|3.995910|2.548407|4.224417|2.552219|2.710001|2.553106|3.144991|2.212624|2.301246|0.140654|0.203781|0.169036|0.212811|0.174255|0.301313|0.500000| |3.986293|4.653976|7.369375|12.503948|8.898287|17.749632|8.960352|5.637987|4.982419|5.649582|7.482947|3.658760|2.911414|4.072723|0.096756|3.805433|3.428678|3.363817|5.305400|4.981644|3.334684|3.734658|3.115455|4.449380|0.100188|3.570731|3.865456|2.652283|2.450677|5.416968|3.626002|5.881257|3.500725|3.687834|3.231241|3.836196|2.735622|2.978214|0.090692|0.112854|0.111380|0.115907|0.114321|0.218599|0.230188|0.500000| |2.649563|2.974519|3.896316|7.437235|5.640613|8.939537|17.740542|8.949321|5.684761|4.966812|6.514987|3.177067|2.567091|6.934786|0.141780|7.107241|6.062157|5.431270|7.714363|7.851273|4.455981|4.536841|3.402111|4.383550|0.097257|3.270501|3.163619|2.584993|2.443350|8.759454|6.068208|9.163211|5.001145|4.687102|3.677848|4.358521|3.296982|3.949370|0.064222|0.074346|0.074691|0.077603|0.077992|0.114236|0.112833|0.217420|0.500000| |2.340664|2.816614|3.340828|7.610823|5.660854|4.978424|5.668016|8.866883|17.694475|9.031434|13.191821|5.738081|4.373405|6.925602|0.222057|4.597753|3.694814|3.988482|5.950634|7.483943|5.613019|4.924508|4.273522|5.131527|0.098876|4.339086|3.621252|2.974602|2.550540|5.333559|4.024658|5.724852|4.489751|3.991910|3.820422|5.411015|4.435854|4.784991|0.059364|0.062447|0.063875|0.076924|0.079612|0.091151|0.086875|0.108003|0.124289|0.500000| |3.596218|4.852760|5.228538|12.619255|6.478725|4.573523|3.865592|3.989387|5.131443|7.265674|16.509436|17.591007|8.845215|3.111525|0.087183|2.676200|2.308806|2.335566|3.734447|3.696825|2.721180|2.810921|2.686905|3.809382|0.076013|3.481980|3.584711|2.389984|2.061271|3.637218|2.658060|4.195547|3.020780|3.253823|3.475540|4.632743|3.145838|2.974190|0.091531|0.087672|0.097573|0.125566|0.161034|0.141212|0.114962|0.110413|0.089296|0.131459|0.500000| |2.729980|3.402989|3.763004|8.634627|5.308802|4.110356|3.872065|4.428555|6.142714|7.261867|16.524387|17.558072|8.832934|3.563703|0.105647|2.964863|2.490288|2.522085|3.972093|4.102646|3.021387|2.954953|2.808071|3.779929|0.073876|3.370768|3.197625|2.360462|2.034667|3.861803|2.940092|4.516388|3.488947|3.627271|3.996738|5.742310|4.009812|3.649385|0.070371|0.069126|0.075096|0.090523|0.105214|0.104355|0.089632|0.096160|0.089394|0.177824|0.301261|0.500000| |2.435508|3.004971|3.075377|6.860770|3.838019|3.052905|2.870291|3.213490|4.194800|4.854244|12.882133|8.856500|17.565208|2.766000|0.081745|2.317565|2.054112|2.162850|3.534860|3.468195|2.730166|2.751370|2.845407|3.942402|0.074033|3.646269|3.394033|2.566674|2.142980|3.238531|2.224501|3.501774|2.480195|2.484553|2.640491|3.816439|2.791326|2.622301|0.065054|0.062421|0.064647|0.085697|0.091678|0.080409|0.076044|0.074549|0.068706|0.127396|0.173324|0.211586|0.500000| |2.994154|3.870991|3.737519|8.421904|4.218042|3.229760|2.867940|3.033028|3.825020|4.854087|12.858057|8.862509|17.563600|2.537475|0.072223|2.171625|1.948512|2.041214|3.363173|3.211364|2.501053|2.632078|2.716726|3.971295|0.076116|3.782331|3.863372|2.601694|2.172170|3.102533|2.094929|3.346499|2.294792|2.355297|2.473804|3.433310|2.446300|2.335587|0.080724|0.075111|0.077458|0.113611|0.122142|0.094164|0.089798|0.080659|0.068671|0.106625|0.212281|0.173220|0.300568|0.500000| |2.661170|3.278295|3.218648|6.889923|3.656930|2.930212|2.685880|2.885773|3.591853|4.255298|10.203089|8.874726|17.556845|2.470628|0.071891|2.146700|1.896778|1.944439|3.174081|3.044209|2.312299|2.336668|2.350777|3.295852|0.063791|2.959327|2.933162|2.169990|1.863828|3.029308|2.123990|3.396544|2.402357|2.503566|2.741927|3.915020|2.727052|2.496782|0.071965|0.066297|0.071531|0.090816|0.105735|0.086018|0.077161|0.073321|0.065061|0.103206|0.211991|0.212074|0.300736|0.300576|0.500000| |1.952114|2.256395|2.619812|5.552030|3.835525|3.809885|4.566334|6.237691|6.348772|4.693226|7.363160|3.332616|2.922822|7.169952|0.210074|4.719974|4.377432|5.805634|8.951384|12.616590|17.555811|8.825916|6.963321|6.502008|0.121856|4.574401|3.494010|3.676513|3.226092|6.178177|3.642496|5.334451|3.510071|2.978970|2.725767|3.796570|3.183682|3.667341|0.049974|0.053766|0.052764|0.063229|0.061620|0.070245|0.072484|0.089028|0.112814|0.199393|0.082269|0.095168|0.086761|0.076596|0.071233|0.500000| |1.760683|1.982761|2.278650|4.620373|3.079729|3.213332|3.838538|4.622842|4.239914|3.445895|5.463133|2.578125|2.320407|5.684325|0.151380|4.439156|4.737377|7.344302|13.254094|12.638037|17.582820|8.836354|6.762961|6.077465|0.118732|3.815468|3.044763|3.632892|3.451117|6.873314|3.358094|5.115503|3.037080|2.583374|2.329400|3.194944|2.652264|3.086484|0.045237|0.049215|0.047662|0.055683|0.053473|0.061317|0.064606|0.078856|0.102614|0.122139|0.065852|0.072795|0.067859|0.062090|0.057841|0.301778|0.500000| |2.069109|2.335249|2.754147|5.526575|3.686106|4.016385|4.622344|4.830259|4.277660|3.790570|5.782239|2.644207|2.348052|4.885651|0.115956|4.040906|4.411000|6.395192|12.260120|9.515525|8.895995|17.570945|8.850719|8.900718|0.205509|4.906006|4.025140|4.735512|4.675164|6.640881|3.144521|4.932846|2.798584|2.505514|2.234308|2.949497|2.336598|2.667524|0.052400|0.059116|0.055271|0.066276|0.061014|0.072351|0.081527|0.100644|0.124745|0.109900|0.069587|0.071702|0.066525|0.064789|0.057989|0.174140|0.216201|0.500000| |2.425171|2.850732|3.487019|7.495292|5.397994|5.653903|6.440447|7.092731|6.614016|5.787065|8.202755|3.481996|2.965249|5.918918|0.139040|4.372018|4.232693|5.457599|8.805331|9.818489|8.920259|17.608786|8.850537|10.060269|0.219744|6.759731|5.238483|4.709940|4.085764|6.150130|3.453200|5.238626|3.213586|2.912470|2.610983|3.435534|2.699408|3.053554|0.060647|0.068275|0.064430|0.080779|0.074644|0.090090|0.101312|0.129550|0.151959|0.157005|0.090346|0.092948|0.083354|0.081408|0.071293|0.210491|0.174624|0.302589|0.500000| |1.999923|2.329085|2.619784|5.571875|3.563969|3.345139|3.545655|4.115722|4.536088|4.155651|7.212390|3.168459|2.966049|3.962527|0.109107|3.080962|3.012225|3.792171|6.637701|6.426799|7.097860|8.728898|17.608046|12.435495|0.184505|7.586889|4.758088|6.510848|4.889957|4.596550|2.573639|3.992157|2.510316|2.280269|2.149764|2.964366|2.360731|2.559580|0.051771|0.055605|0.052675|0.067884|0.062771|0.067344|0.073628|0.081244|0.087989|0.131937|0.078506|0.084565|0.088972|0.081890|0.070854|0.216885|0.177719|0.173524|0.199306|0.500000| |1.858526|2.106447|2.362285|4.799829|3.017258|2.993206|3.198835|3.495480|3.524972|3.264616|5.489013|2.524044|2.366702|3.509685|0.092884|2.904733|3.016638|3.934443|7.506607|6.060141|6.386742|8.785766|17.655548|12.278802|0.207769|5.650935|4.131366|7.541186|6.873687|4.723107|2.407956|3.820625|2.266350|2.059483|1.913896|2.602166|2.062137|2.264073|0.048148|0.052587|0.049028|0.061320|0.055897|0.061065|0.068254|0.075502|0.083370|0.098029|0.064806|0.067678|0.069213|0.066087|0.058077|0.159072|0.184949|0.221398|0.174587|0.302374|0.500000| |2.651110|3.276004|3.819303|8.959289|5.793371|4.815880|4.575238|5.035517|6.202832|6.892712|11.933381|4.486895|3.969232|4.049855|0.107347|3.141007|2.927453|3.422397|5.688181|5.787150|5.198191|6.892716|7.659957|12.343948|0.211130|17.698958|8.902035|5.640935|4.141239|4.462073|2.712249|4.196270|2.716384|2.571800|2.438813|3.282761|2.518628|2.679193|0.067305|0.073083|0.068449|0.097281|0.087121|0.093452|0.106027|0.111996|0.105238|0.158833|0.111294|0.110961|0.113118|0.113304|0.090128|0.155470|0.117946|0.145971|0.239926|0.223016|0.149789|0.500000| |2.385011|2.877680|3.112787|6.827482|3.962474|3.395351|3.224312|3.468679|4.079573|4.464911|8.749168|3.723013|3.684594|3.028858|0.082773|2.475351|2.364221|2.737684|4.727878|4.392321|3.952644|4.909437|6.619306|12.402287|0.183234|17.618228|8.763496|7.426170|4.690404|3.711164|2.188310|3.464502|2.200805|2.101000|2.033141|2.776134|2.121230|2.209552|0.062323|0.065891|0.060879|0.088251|0.077223|0.076166|0.086494|0.084093|0.078362|0.112631|0.092713|0.091773|0.108545|0.109885|0.084779|0.118010|0.098156|0.113660|0.143997|0.207497|0.145805|0.302613|0.500000| |2.902755|3.476853|3.643123|7.435872|3.895826|3.425908|3.034076|2.967060|3.257855|3.766649|6.939949|3.160855|3.077027|2.542941|0.067065|2.195923|2.134536|2.395929|4.193834|3.634353|3.016932|3.826881|4.418154|9.055783|0.182662|8.718157|17.575283|6.295284|4.689726|3.438149|1.983995|3.222835|1.966234|1.931221|1.856284|2.464647|1.834528|1.909618|0.075727|0.083113|0.071194|0.113798|0.087889|0.084774|0.107195|0.090695|0.075630|0.084214|0.085423|0.076648|0.083988|0.095845|0.073646|0.084048|0.075998|0.098672|0.117298|0.116231|0.106919|0.172904|0.209717|0.500000| |3.345962|4.120501|4.805404|10.091278|5.471087|4.871476|4.086691|3.793012|4.062520|4.837694|8.058525|3.514944|3.170422|3.083965|0.078649|2.639221|2.547859|2.856081|4.903204|4.370381|3.529203|4.691088|4.814712|9.381561|0.222616|8.818301|17.557365|5.237130|4.263723|4.050184|2.357679|3.799706|2.308097|2.271488|2.138914|2.785250|2.067998|2.188236|0.083296|0.097073|0.082592|0.130076|0.100328|0.108538|0.149555|0.128406|0.099505|0.098812|0.096973|0.085477|0.084610|0.095637|0.075639|0.095907|0.085516|0.121156|0.158521|0.120740|0.111219|0.211183|0.172351|0.299675|0.500000| |3.456274|4.536653|4.852877|11.216278|5.482831|4.290391|3.596449|3.533495|4.126250|5.303510|10.334260|4.402852|4.157854|2.864849|0.075993|2.422963|2.276093|2.505663|4.240721|3.913466|3.180458|3.892106|4.190958|7.545140|0.149480|8.980735|17.601502|4.577193|3.543004|3.611850|2.212703|3.546941|2.246650|2.236038|2.170823|2.875640|2.116790|2.179496|0.088424|0.095098|0.084168|0.151280|0.116149|0.107994|0.134140|0.109285|0.085760|0.104000|0.119173|0.100821|0.109297|0.133733|0.095229|0.091443|0.077484|0.096213|0.127160|0.115981|0.097139|0.219664|0.209769|0.300921|0.303896|0.500000| 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