Version2.2 2021-02-18T06:46:09Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 31-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(c2c1cc(c(=O)[nH]2)CN(CC[NH+](C)C)C(=O)NC3CCCCC3)C C01371597 RHF 6-31G(d) (6D,7F) Cc1ccc(c2c1cc(c(=O)[nH]2)CN(CC[NH+](C)C)C(=O)NC3CCCCC3)C C01[X(C23H35N4O2)] 186 C1 505 O=C(N(Cc1cc2c(C)ccc(c2[nH]c1=O)C)CC[NH+](C)C)NC1CCCCC1 O=C(N(Cc1cc2c(C)ccc(c2[nH]c1=O)C)CC[NH+](C)C)NC1CCCCC1 C[NH+](C)CCN(CC1=Cc2c(C)ccc(C)c2NC1=O)C(=O)NC3CCCCC3 InChIKey=AHOZQWBFIZQXAH-UHFFFAOYSA-O InChI=1S/C23H34N4O2/c1-16-10-11-17(2)21-20(16)14-18(22(28)25-21)15-27(13-12-26(3)4)23(29)24-19-8-6-5-7-9-19/h10-11,14,19H,5-9,12-13,15H2,1-4H3,(H,24,29)(H,25,28)/p+1 InChI=1/C23H34N4O2/c1-16-10-11-17(2)21-20(16)14-18(22(28)25-21)15-27(13-12-26(3)4)23(29)24-19-8-6-5-7-9-19/h10-11,14,19H,5-9,12-13,15H2,1-4H3,(H,24,29)(H,25,28)/p+1/fC23H35N4O2/h24-26H/q+1 Cc1ccc(c2c1cc(c(=O)[nH]2)CN(CC[NH+](C)C)C(=O)NC3CCCCC3)C C01[X(C23H35N4O2)] 186 C01 505 O=C(N(Cc1cc2c(C)ccc(c2[nH]c1=O)C)CC[NH+](C)C)NC1CCCCC1 C[NH](CCN(C(=O)NC1CCCCC1)C[C]1=[CH][C]2[C]([CH][CH][C]([C]2N[C]1[O])C)C)C C[C]1[CH][CH][C](C)[C]2C=C(CN(CC[NH](C)C)C(=O)NC3CCCCC3)[C]([O])N[C]12 InChIKey=MLPHSMZAMZWMIE-UHFFFAOYSA-N InChI=1S/C23H35N4O2/c1-16-10-11-17(2)21-20(16)14-18(22(28)25-21)15-27(13-12-26(3)4)23(29)24-19-8-6-5-7-9-19/h10-11,14,19,26H,5-9,12-13,15H2,1-4H3,(H,24,29)(H,25,28) InChI=1/C23H35N4O2/c1-16-10-11-17(2)21-20(16)14-18(22(28)25-21)15-27(13-12-26(3)4)23(29)24-19-8-6-5-7-9-19/h10-11,14,19,26H,5-9,12-13,15H2,1-4H3,(H,24,29)(H,25,28)/f/h24-25H 2843.0956587396 -1258.7483754 1-A 16151.9731 108 397 505 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.61600 -20.60865 -15.85227 -15.70101 -15.68964 -15.66907 -11.46607 -11.44559 -11.43916 -11.43443 -11.41973 -11.39892 -11.37569 -11.36075 -11.34572 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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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 0.00032 0.03332 0.06329 0.08383 0.09436 0.09585 0.12350 0.12728 0.13762 0.14106 0.14735 0.15045 0.15168 0.15923 0.17484 0.17727 0.17981 0.18693 0.18856 0.18974 0.19878 0.20465 0.20922 0.21478 0.22286 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1.07468 1.07857 1.08699 1.09141 1.09304 1.09423 1.09596 1.10450 1.11377 1.11825 1.12671 1.12974 1.13338 1.13696 1.13922 1.14397 1.14741 1.15366 1.15467 1.16841 1.17341 1.18373 1.19108 1.19165 1.19490 1.19796 1.20530 1.21222 1.22467 1.23076 1.23272 1.24727 1.27011 1.27670 1.30193 1.31181 1.31650 1.33040 1.33674 1.34734 1.36098 1.37014 1.37622 1.39678 1.40228 1.41191 1.42443 1.44399 1.44888 1.46418 1.47974 1.49519 1.51029 1.52427 1.53240 1.54018 1.54826 1.55969 1.56397 1.56664 1.57276 1.59514 1.60735 1.61829 1.62517 1.62772 1.63813 1.65116 1.66497 1.67992 1.68394 1.69171 1.71247 1.72189 1.74497 1.75577 1.77426 1.79320 1.80338 1.81901 1.84514 1.86136 1.87084 1.89000 1.89071 1.90960 1.93221 1.94672 1.95710 1.96183 1.97222 1.97629 1.97901 1.99206 2.00428 2.02613 2.03221 2.03723 2.04226 2.04715 2.05177 2.05660 2.06647 2.07331 2.08369 2.08792 2.09502 2.11025 2.12099 2.12277 2.13113 2.14095 2.14642 2.15182 2.16512 2.16813 2.17029 2.17536 2.18597 2.18673 2.19480 2.20600 2.20795 2.22242 2.23221 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10.41997
-3.3665 15.0233 2.5130 15.5996 |XX|YY|ZZ|XY|XZ|YZ| -115.3659 -78.7279 -169.2367 -33.7849 2.9183 5.8399
|XX|YY|ZZ|XY|XZ|YZ| 5.7442 42.3823 -48.1266 -33.7849 2.9183 5.8399
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ| 74.5260 423.7838 -5.2454 -115.3650 2.1917 65.7790 -7.7095 35.5971 29.0443 1.5732
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1.5356 1.6600 1.3922 0.9169 1.1669 1.7271 1.2338 1.0386 1.2137 1.7509 1.6667 1.7516 3.1184 2.3802 2.1530 1.5544 1.9021 1.8345 1.8126 1.9194 1.7499 2.0303 2.2039 1.6325 1.4569 2.4996 1.5212 3.3072 3.9572 1.9479 1.5810 1.6127 1.6167 1.6725 1.8595 2.6092 1.9591 2.0859 2.2130 1.9809 2.1277 2.0101 2.1239 2.0559 2.0646 2.2754 1.8294 1.7783 1.8227 2.8105 2.3684 1.7009 1.6960 1.7336 1.6479 1.6442 1.7285 1.6762 1.7698 1.7575 1.7394 1.6964 1.9819 1.7480 1.8020 1.7282 4.0244 1.8327 3.0001 9.9665 13.4828 11.8318 11.2821 21.6521 6.3056 6.3468 6.4260 6.2531 6.4226 6.4188 6.3144 6.7468 6.8178 6.8154 6.7783 6.8711 6.4416 6.4765 6.8420 6.9316 6.7257 6.7256 6.7517 6.9564 7.0433 7.0711 7.1971 7.3222 7.2869 7.3723 7.3949 7.4033 7.2878 7.4961 7.4048 7.5460 8.6724 9.4409 9.4937 1.6090 3.8392 0.0913 0.2192 2.1623 4.8243 4.6231 2.6265 2.2135 8.4488 0.2778 3.6838 1.0395 8.4694 2.4878 0.1940 1.0260 7.8091 3.2157 0.3192 1.1026 1.1959 4.8395 2.4322 5.8604 1.8416 4.5538 6.7708 0.9818 1.1966 2.6012 6.1042 19.1200 14.5790 10.5312 18.0657 15.8419 0.2078 9.4514 3.9977 5.8027 17.0072 61.8543 1.0756 3.0400 6.7054 4.2253 0.1625 19.1811 27.1585 23.4447 16.7310 27.4579 3.3529 11.9328 3.1390 18.1291 23.3994 22.8432 23.1944 7.9142 1.3881 46.2582 26.2266 0.7299 8.5931 12.0141 2.5854 86.1520 1.0311 5.0800 7.8415 30.3638 0.6366 12.9347 19.9357 8.2177 5.1010 62.8464 9.2625 5.0838 6.0987 8.9372 0.7799 0.3987 0.8287 6.6176 2.0911 0.3425 8.5173 6.4417 4.5100 6.9569 45.8235 126.2988 30.3328 33.4381 38.6364 56.6949 27.1627 96.2975 6.5439 5.5997 21.4925 49.8089 3.3966 31.4643 1.2945 24.4813 75.5829 12.3922 1.3750 53.7120 2.0119 18.2505 0.9739 10.2693 6.0808 11.2270 22.9764 55.6909 13.7480 61.0114 29.9563 15.8818 2.0467 43.3198 11.9311 1.2073 10.5888 11.4348 5.0938 10.2085 7.5711 16.8720 3.5223 3.1144 6.9855 39.8531 10.7770 17.4859 8.4454 42.6469 19.6788 36.2019 545.9599 5.3519 65.7181 17.2960 1139.3939 491.2275 14.1360 48.0999 25.6955 32.0606 12.7231 46.3928 20.5367 53.9243 28.2622 53.7429 61.7358 66.6995 19.5064 23.6687 25.3055 17.3183 28.5304 22.1893 12.2390 21.4050 12.8030 22.6469 2.0596 4.6789 3.2102 2.0468 4.7568 4.6288 9.2613 64.9032 18.9275 0.2840 43.5679 11.4002 71.3148 1.9827 2.9855 0.2576 1.2701 1.0955 0.4160 1.2879 0.0800 0.4239 0.5145 0.5052 1.0503 0.3741 0.6020 0.1729 0.4331 0.5591 0.7786 0.6289 0.8420 0.3571 0.1415 0.6317 0.2315 0.6153 1.2405 1.2077 0.1942 1.6674 1.3659 0.6575 0.6159 4.0278 2.4260 1.1540 2.5576 2.6629 2.2873 4.0468 0.2049 4.0082 7.1227 3.6637 3.2108 0.8709 2.1631 3.5359 0.5454 0.3653 1.3828 1.2067 14.6572 2.1046 2.3837 5.1967 3.1131 8.4983 3.7216 2.6833 1.7311 0.6037 5.0468 1.2276 0.7337 7.5549 1.0641 8.4646 1.5649 9.1737 5.0463 10.2661 7.5141 5.2582 2.3976 1.9445 8.8873 15.3915 11.8695 4.9806 7.0863 3.4812 2.7164 1.2911 0.4940 0.8926 0.1274 2.8580 1.6021 1.8286 6.4595 2.4130 3.8942 3.9158 4.7332 1.7634 5.4894 3.9637 5.3506 54.2214 56.4805 17.0458 7.1330 27.9740 14.1016 132.0512 73.5951 21.8155 11.0172 6.6352 3.6813 6.2626 2.6426 80.1430 3.7210 7.4063 3.2518 10.1761 6.9405 6.8088 10.8254 21.1031 8.7074 6.8786 5.7990 5.3074 1.7540 10.4765 7.3991 29.5710 8.7023 5.5949 22.6087 20.3076 23.7232 17.0176 17.0449 0.7746 0.5584 16.3402 8.8020 14.7934 2.7608 2.7362 16.4999 14.4696 3.5264 21.1028 243.8868 34.3371 69.9359 5.8067 13.7582 75.5957 132.5090 135.1599 23.7629 51.0492 136.1631 59.6524 72.5733 93.8927 206.2627 76.2947 35.1465 163.8782 64.8798 66.7035 28.0279 122.6409 101.1157 32.6189 79.6072 80.0130 49.3271 15.0997 25.8362 30.8216 61.0301 82.3077 76.7583 84.5462 215.3097 37.0297 27.0433 34.0528 50.0268 0.7474 0.7347 0.7496 0.7498 0.7398 0.7464 0.6555 0.7344 0.7162 0.7324 0.7235 0.7500 0.6192 0.1094 0.2577 0.4778 0.6505 0.0899 0.2559 0.5258 0.3055 0.7056 0.5640 0.7493 0.0683 0.7432 0.6641 0.2826 0.7495 0.7112 0.6279 0.4199 0.7450 0.7487 0.7409 0.6900 0.5597 0.1369 0.6051 0.3385 0.0627 0.1257 0.2440 0.2991 0.1967 0.1723 0.6813 0.6169 0.7130 0.7186 0.5746 0.0889 0.2954 0.5852 0.0570 0.2673 0.1577 0.1491 0.3226 0.5464 0.6736 0.1371 0.6906 0.7439 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0.0590 0.5854 0.8508 0.5953 0.0777 0.0753 0.1598 0.7453 0.7735 0.8050 0.5968 0.6769 0.8508 0.8438 0.8379 0.7864 0.7615 0.3574 0.4180 0.3422 0.3247 0.3660
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 6 6 6 6 6 6 6 6 6 6 8 7 1 6 7 6 6 7 1 6 6 6 8 7 6 6 6 6 6 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 1.00783 12.00000 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 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
9929.6828 19262.5848 27072.7980 0.99999 0.00521 0.00019 -0.00521 0.99998 0.00260 -0.00018 -0.00260 1.00000 1 0.00872 0.00450 0.00320 0.18175 0.09369 0.06666 25.01 36.27 41.52 50.30 59.65 82.89 85.98 131.84 139.42 153.45 186.29 188.38 209.42 221.27 243.25 264.56 290.31 327.37 337.27 352.58 358.49 360.26 379.26 411.81 442.63 454.01 469.45 495.11 523.37 525.52 550.76 605.48 626.93 636.09 645.21 670.05 679.35 683.00 700.59 728.87 742.44 757.43 767.28 777.62 838.39 881.67 937.58 941.16 982.84 1028.18 1038.96 1080.81 1098.69 1146.30 1189.45 1203.65 1227.77 1242.89 1244.31 1259.35 1310.40 1315.28 1318.98 1343.21 1365.60 1393.74 1440.11 1454.50 1476.61 1493.01 1515.50 1528.75 1541.11 1558.00 1580.49 1593.21 1601.75 1603.13 1631.28 1647.04 1649.67 1654.51 1672.08 1685.17 1689.31 1690.65 1712.13 1732.06 1768.43 1789.91 1825.07 1845.52 1864.38 1874.63 1897.96 1907.19 1913.75 1973.73 1982.87 1989.22 2011.40 2020.05 2026.08 2033.00 2041.88 2053.55 2068.31 2095.73 2108.16 2124.21 2143.79 2165.72 2189.84 2191.15 2198.97 2203.08 2216.29 2223.86 2246.03 2253.92 2261.16 2263.08 2270.39 2279.56 2286.45 2302.31 2330.55 2333.58 2345.12 2345.57 2348.88 2351.78 2353.15 2353.50 2359.63 2359.93 2360.33 2363.63 2370.95 2376.79 2377.12 2386.04 2389.34 2396.39 2408.80 2435.71 2561.49 2598.13 2630.67 2686.95 2773.54 4544.26 4558.26 4585.59 4592.60 4598.78 4603.54 4620.67 4658.49 4660.76 4668.63 4671.70 4676.11 4686.31 4693.74 4694.06 4700.27 4701.66 4713.68 4722.90 4738.67 4748.07 4749.61 4786.40 4819.69 4825.36 4830.63 4837.72 4840.65 4846.15 4865.89 4873.61 4926.01 5315.78 5550.52 5563.13 0.609509 0.636793 0.637737 0.549890 -1258.138866 -1258.111583 -1258.110639 -1258.198486 2.946403D-04
MUNgauss RevisionA2.1 retrievium 18-Feb-2021 DUDE Cc1ccc(c2c1cc(c(=O)[nH]2)CN(CC[NH+](C)C)C(=O)NC3CCCCC3)C C01371597 RHF 6-31G(d) (6D,10F) C1 399.276002 |X|Y|Z| 101.101976 71.840210 27.734052
58.620140 20 6 7 17 3
|36.858105| |12.607013|36.858105| |7.602917|13.881388|36.858105| |5.013050|7.896291|13.624097|36.858105| |4.375809|6.701822|7.842989|13.865641|36.858105| |4.980652|7.836770|6.917498|8.055372|13.562886|36.858105| |7.467324|13.471018|7.974588|6.904124|7.784664|13.664927|36.858105| |6.384120|7.593235|5.100901|4.535504|5.099605|7.862961|13.201123|36.858105| |4.401441|5.085366|3.934382|3.792441|4.508699|6.751973|7.765498|14.166334|36.858105| |3.648619|4.470746|3.778100|3.960541|5.148976|7.788313|6.691156|7.878796|13.062722|36.858105| |2.963788|3.475549|3.064363|3.249087|4.101136|5.388926|4.683129|5.362787|8.032676|15.579062|73.516695| |3.862658|5.175724|4.604203|5.232584|7.884330|13.762948|8.000862|7.041816|7.987795|14.056345|15.163270|53.358707| |3.271664|4.247335|4.035487|4.818114|7.336380|9.237910|5.801143|5.147119|5.823551|9.591482|14.213624|26.019923|0.500000| |3.612708|3.799173|3.062636|2.925770|3.321281|4.396607|4.942519|7.599646|12.586858|7.465655|11.750065|6.890431|0.116783|36.858105| |3.202512|3.285494|2.717265|2.599353|2.900837|3.668747|4.045905|5.607781|7.525683|5.623491|9.666629|5.640720|0.099838|12.982560|53.358707| |2.733879|2.891916|2.486708|2.456839|2.791809|3.442300|3.541969|4.457375|5.945610|5.484328|10.670208|5.541728|0.102571|7.694364|17.953563|36.858105| |2.305660|2.414789|2.123309|2.114632|2.383585|2.842895|2.875104|3.484862|4.464786|4.333285|9.005086|4.558879|0.087568|5.875396|10.585779|12.410661|36.858105| |2.051500|2.184925|1.970994|2.005548|2.279574|2.648527|2.579126|2.971117|3.702759|3.923315|8.607784|4.309520|0.086280|4.315066|6.889492|7.574138|12.612231|53.358707| |2.063791|2.209040|2.002890|2.046029|2.327647|2.688563|2.601152|2.953884|3.623641|3.884756|8.356786|4.357613|0.087711|4.037916|6.616599|7.605789|9.290710|25.712450|0.500000| |2.052509|2.233432|2.035650|2.111168|2.448322|2.837410|2.671083|3.014977|3.816379|4.373499|10.515345|4.794149|0.099002|4.213254|5.976650|5.875359|7.622971|17.260360|0.259658|36.858105| |1.786231|1.874271|1.710149|1.733804|1.936052|2.196081|2.154622|2.439284|2.910521|3.017626|6.320435|3.463340|0.069887|3.367233|5.264256|5.036347|7.645930|17.391695|0.260706|7.724036|36.858105| |3.404308|3.311452|2.711450|2.518864|2.714616|3.350268|3.864708|5.241854|5.859362|4.372220|7.193114|4.814319|0.085505|7.853874|18.689500|7.663258|5.392082|5.323471|0.108133|3.382538|3.225940|36.858105| |4.087428|3.764203|2.981876|2.678612|2.819173|3.486978|4.267467|5.967764|5.874149|4.165473|6.536014|4.768959|0.083419|7.128946|11.498395|5.380303|4.132458|4.347068|0.087988|2.893362|2.705968|15.851210|73.516695| |2.865030|2.781728|2.360370|2.216958|2.366184|2.812535|3.133502|3.902981|4.252456|3.516642|6.028549|4.031955|0.073919|5.202024|11.103706|6.735682|5.139707|5.262451|0.110026|3.186165|3.312553|13.969292|15.021946|53.358707| |2.755574|2.584928|2.218609|2.054559|2.137579|2.474225|2.783210|3.326524|3.401585|2.863136|4.850991|3.432007|0.063479|3.904661|7.013625|4.444949|3.719516|4.102554|0.085975|2.564469|2.710435|7.756285|12.216889|17.698857|36.858105| |2.366301|2.262743|1.997179|1.878611|1.952581|2.209629|2.413801|2.764600|2.841446|2.515232|4.345347|3.077548|0.058051|3.138962|5.463479|3.859091|3.340824|3.896619|0.083819|2.411580|2.641585|5.154705|8.089328|10.627900|12.453785|36.858105| |2.192472|2.060193|1.842721|1.722135|1.759644|1.953985|2.137992|2.389055|2.392902|2.136241|3.669766|2.673982|0.050748|2.585771|4.232031|2.957805|2.646824|3.173538|0.067586|2.020540|2.198814|3.851921|6.540156|6.810792|7.532475|12.434298|36.858105| |2.068497|1.920601|1.716743|1.599025|1.628557|1.806314|1.983594|2.229406|2.233371|1.981371|3.414522|2.471704|0.046936|2.460103|3.945105|2.697420|2.498263|2.970072|0.061923|1.902446|2.093726|3.553774|6.170776|6.013324|6.432698|7.517862|12.443400|36.858105| |2.314155|2.106700|1.851769|1.703786|1.731831|1.943172|2.174636|2.495540|2.477889|2.139667|3.645913|2.645492|0.049688|2.782631|4.428576|2.878240|2.647309|3.060228|0.062816|1.975941|2.128789|4.150921|7.528201|6.752705|7.529198|6.445485|7.540871|12.445558|36.858105| |2.520114|2.323716|2.007884|1.854197|1.914147|2.193243|2.465837|2.932142|2.985896|2.520140|4.305109|3.033436|0.056465|3.511000|5.906236|3.686999|3.342290|3.692820|0.075204|2.336897|2.523245|5.944357|10.226146|10.410256|12.436219|7.539722|6.449528|7.525350|12.435129|36.858105| |3.248689|4.376316|4.987166|7.556789|12.611886|7.486617|4.968356|3.837834|3.699701|4.496985|6.953046|8.971201|0.211697|2.882672|3.501171|2.570458|2.253742|3.029357|0.063354|2.444100|1.904011|2.372100|4.267999|2.880644|1.910283|1.777996|1.605757|1.487717|1.563086|1.720104|36.858105| |17.557542|8.814329|5.886623|4.283966|3.915913|4.555441|6.647215|6.435750|4.500887|3.625821|5.281780|5.042736|0.087208|3.796713|4.763814|2.943646|2.435875|2.916195|0.060256|2.104148|1.861473|3.894303|8.607920|4.453022|3.194947|2.700684|2.494569|2.326810|2.621738|2.862490|2.999098|0.500000| |17.550113|8.820575|5.926361|4.301549|3.919272|4.541420|6.600084|6.360884|4.456759|3.596490|5.236908|5.017454|0.086888|3.782493|4.423874|2.717235|2.329677|2.792405|0.056617|2.057858|1.794044|3.430208|7.445094|3.867713|2.721820|2.303469|2.134669|2.052123|2.332019|2.556104|3.001652|0.301995|0.500000| |17.606100|8.891363|7.351490|4.776699|3.944962|4.165554|5.541454|4.707332|3.533559|3.066436|4.558651|4.475585|0.079880|2.997953|3.703982|2.378948|2.042718|2.508213|0.051622|1.844347|1.625072|2.897057|6.044034|3.429128|2.474793|2.170031|2.051226|1.942129|2.151828|2.289063|3.018500|0.302165|0.302424|0.500000| |7.048601|8.972356|17.730827|8.914909|5.627853|4.976626|5.650002|4.120469|3.278645|3.123546|4.650735|4.975151|0.091601|2.672213|3.287542|2.214728|1.916878|2.428541|0.050349|1.829717|1.568532|2.449979|4.810701|2.952138|2.079502|1.885872|1.767883|1.654938|1.781497|1.901643|4.090062|0.152373|0.153884|0.226743|0.500000| |4.105975|5.649670|8.925583|17.713783|9.005963|5.692768|4.968131|3.610953|3.135795|3.304083|5.013530|5.733320|0.113311|2.516273|3.094741|2.177438|1.905167|2.489207|0.051901|1.926850|1.600175|2.212176|4.149634|2.698143|1.856430|1.719545|1.592181|1.481662|1.566882|1.687235|7.025246|0.099522|0.100013|0.114256|0.217281|0.500000| |7.278498|6.966826|4.654512|3.934647|4.134562|5.619715|8.773099|17.764933|9.167269|5.621647|7.632512|6.863930|0.110858|7.097289|7.550893|4.168390|3.318463|3.777818|0.076296|2.744013|2.327355|5.742507|13.213016|5.666037|3.649633|2.930640|2.554561|2.411117|2.767906|3.264700|3.213127|0.219360|0.216259|0.143355|0.109996|0.089677|0.500000| |3.098008|3.304496|2.765178|2.710242|3.113615|4.006272|4.216610|5.771656|8.976566|7.214373|13.185586|6.576204|0.116409|17.608262|12.530653|7.252536|6.548119|6.574959|0.119391|4.971488|3.718536|5.814549|9.219215|5.933378|3.355998|2.801147|2.335327|2.244959|2.503508|3.105806|2.798930|0.088225|0.090453|0.073214|0.067474|0.065667|0.146280|0.500000| |3.807200|3.795432|3.019210|2.805215|3.080754|3.970131|4.687868|7.196371|8.942547|5.617586|8.781731|5.808899|0.099726|17.696396|12.597505|5.699715|4.785125|4.906952|0.093642|3.493985|2.972327|7.544995|14.216182|6.763993|3.937779|3.076391|2.589259|2.521450|2.936688|3.713854|2.646479|0.111133|0.115465|0.087301|0.074263|0.067314|0.217369|0.303788|0.500000| |2.619342|2.740225|2.382599|2.346232|2.625832|3.158316|3.260797|3.952918|4.845442|4.519254|8.480711|4.911508|0.092140|5.688088|12.459164|17.621331|8.833283|9.001921|0.208424|4.925024|4.784581|7.403159|9.150434|10.721880|5.045613|4.597180|3.360519|2.959978|3.072592|3.931621|2.427080|0.079573|0.071211|0.064042|0.059522|0.058234|0.104891|0.144336|0.128285|0.500000| |2.818941|3.095245|2.680802|2.708068|3.172594|3.984514|3.919197|4.813969|6.783258|7.146301|14.987200|6.824539|0.126782|7.434022|12.539110|17.646617|8.857851|9.883276|0.212007|6.593583|4.672015|5.981370|8.338429|7.011847|3.724472|3.323644|2.636860|2.393726|2.532833|3.121818|2.948055|0.083023|0.076981|0.067950|0.065355|0.066225|0.117730|0.201925|0.147130|0.303565|0.500000| |2.324381|2.433718|2.133321|2.123009|2.397184|2.872824|2.910345|3.563897|4.644484|4.472346|9.396718|4.631501|0.088684|6.456611|9.925179|8.755070|17.657210|12.390371|0.183805|7.520074|6.514586|4.982388|7.147903|6.068757|3.359442|2.954377|2.410802|2.323885|2.508022|3.139372|2.263249|0.067305|0.066273|0.057050|0.053430|0.053049|0.094264|0.227886|0.147706|0.173539|0.202825|0.500000| |2.163582|2.220072|1.959169|1.932200|2.138619|2.508913|2.577329|3.094296|3.767609|3.550624|7.033853|3.893525|0.074887|4.904876|9.074232|8.760836|17.626947|12.319225|0.207245|5.658321|7.643001|5.281909|7.157409|7.497768|4.020605|3.652984|2.861003|2.735173|2.882108|3.698445|2.018208|0.063982|0.060849|0.053699|0.049694|0.048695|0.084305|0.144203|0.119293|0.218726|0.174133|0.302199|0.500000| |1.975799|2.130481|1.941612|2.002812|2.301762|2.654192|2.525238|2.860928|3.584764|3.992010|9.274430|4.411921|0.090592|4.068008|5.549028|5.005210|6.818017|12.348955|0.181882|17.642914|7.210768|3.174030|4.909112|4.031311|2.418801|2.251800|1.910693|1.828987|1.916174|2.260946|2.291519|0.055880|0.055701|0.049434|0.048715|0.050926|0.073202|0.138772|0.096428|0.115966|0.147173|0.217440|0.148556|0.500000| |1.892553|2.066249|1.914855|2.006715|2.322059|2.624114|2.435606|2.669831|3.263708|3.787673|8.788601|4.380326|0.092928|3.454747|4.901111|4.667721|5.582283|12.305665|0.228628|17.642901|7.038544|2.912592|4.504658|3.817928|2.318168|2.229022|1.890917|1.773378|1.818192|2.112572|2.370089|0.053739|0.052343|0.047714|0.048063|0.051431|0.067614|0.108868|0.081663|0.116658|0.145602|0.147943|0.126666|0.299360|0.500000| |2.282849|2.532242|2.291911|2.395690|2.841097|3.373607|3.113877|3.532807|4.665993|5.749559|15.705871|5.985223|0.123678|4.941780|6.683922|6.550105|7.157972|12.191897|0.217911|17.663659|5.603725|3.659144|5.599676|4.521547|2.648063|2.452027|2.050129|1.916955|2.007453|2.379896|2.825512|0.064743|0.063356|0.056422|0.056470|0.060044|0.086750|0.163839|0.109107|0.145189|0.233705|0.200352|0.143199|0.299223|0.297583|0.500000| |1.754937|1.820829|1.658890|1.668044|1.842701|2.083104|2.070720|2.347141|2.749943|2.779703|5.631550|3.224711|0.064508|3.192774|5.179225|4.885804|6.981405|12.293395|0.226088|5.610435|17.647945|3.301236|4.875215|4.823735|2.920333|2.910892|2.399527|2.281175|2.287165|2.717476|1.798087|0.051247|0.048832|0.044479|0.042489|0.042826|0.063062|0.094703|0.079516|0.137543|0.120391|0.156834|0.227021|0.144690|0.145105|0.125607|0.500000| |1.673051|1.767504|1.632514|1.670860|1.868381|2.088834|2.020520|2.240565|2.638802|2.802862|5.891133|3.294365|0.067632|2.940662|4.461669|4.170665|5.573941|12.305252|0.222253|7.227973|17.647875|2.790080|4.252277|3.889305|2.398263|2.373800|2.010314|1.906398|1.920017|2.229350|1.866105|0.048166|0.046466|0.042556|0.041684|0.043137|0.059001|0.089603|0.072511|0.112239|0.113214|0.138214|0.149613|0.183729|0.218088|0.144969|0.299204|0.500000| |1.752259|1.828090|1.665042|1.681750|1.870723|2.122315|2.094923|2.383565|2.839742|2.907850|6.054126|3.330941|0.066970|3.350896|5.073085|4.546689|7.039352|12.346612|0.181707|6.947630|17.645854|3.105389|4.699884|4.252988|2.584793|2.472408|2.086534|2.024699|2.086285|2.472626|1.834496|0.050445|0.049371|0.044297|0.042513|0.043133|0.063605|0.105405|0.083676|0.115623|0.116447|0.192058|0.199789|0.214063|0.168366|0.143466|0.299154|0.299326|0.500000| |2.529502|2.493367|2.152386|2.052998|2.208180|2.599189|2.818430|3.445898|3.873469|3.339108|5.947661|3.802951|0.070899|4.840288|10.354617|7.267582|6.070285|6.023825|0.125153|3.459514|3.849477|9.435633|11.007631|26.050677|9.137066|7.158931|4.646589|4.211452|4.530809|6.759046|2.011946|0.078407|0.070089|0.062440|0.055037|0.051389|0.099442|0.119487|0.125820|0.245569|0.146015|0.139109|0.197711|0.089239|0.084128|0.097366|0.118032|0.089929|0.099932|0.500000| |3.141090|2.877536|2.439636|2.219327|2.279387|2.640902|3.042982|3.620800|3.540747|2.930100|4.833043|3.573892|0.065441|3.887412|6.612250|4.082271|3.331290|3.745566|0.078750|2.411769|2.447707|7.408395|13.696006|12.665888|17.623220|8.896507|6.819465|5.683857|6.824038|8.896096|2.004274|0.104482|0.085051|0.078059|0.063708|0.055420|0.113161|0.090777|0.110331|0.125510|0.099065|0.085187|0.096231|0.063140|0.060863|0.070308|0.071866|0.061008|0.064994|0.181452|0.500000| |2.428280|2.359957|2.093778|1.982358|2.068551|2.336253|2.528779|2.856906|2.935409|2.639555|4.550301|3.256180|0.061559|3.143820|5.463243|4.010442|3.351699|4.001734|0.088254|2.486130|2.664922|4.991016|7.771438|9.745165|8.854270|17.544098|8.792195|5.479137|4.837182|5.500284|1.886756|0.077200|0.064599|0.061839|0.054688|0.050375|0.082595|0.077709|0.083565|0.137720|0.098140|0.081210|0.098991|0.063460|0.064338|0.070826|0.081014|0.067245|0.068158|0.180057|0.215882|0.500000| |2.144893|2.077038|1.847442|1.757924|1.842077|2.079383|2.236099|2.559761|2.692986|2.424310|4.279005|2.942068|0.056014|3.032648|5.323244|3.916559|3.554889|4.167667|0.089522|2.514937|2.896526|4.730677|7.162496|9.718139|8.853097|17.457356|8.852467|6.777398|5.664848|6.797205|1.698523|0.066771|0.058501|0.054732|0.048378|0.044874|0.074364|0.077008|0.081877|0.130715|0.092127|0.086036|0.112221|0.065343|0.064661|0.069693|0.091117|0.071687|0.074923|0.214501|0.174228|0.302460|0.500000| |2.351876|2.181564|1.950398|1.804452|1.824062|2.017039|2.229167|2.464922|2.413963|2.144138|3.631016|2.717546|0.051362|2.550664|4.086244|2.813424|2.472608|2.977392|0.063469|1.929498|2.038675|3.747619|6.631345|6.272804|6.786670|8.861514|17.508671|8.851041|6.784126|5.660122|1.650669|0.075333|0.062959|0.061498|0.052288|0.046333|0.073796|0.063356|0.071313|0.087727|0.070957|0.063169|0.072632|0.050645|0.050244|0.054979|0.060873|0.052131|0.053846|0.114054|0.200785|0.214791|0.173847|0.500000| |1.987088|1.890502|1.714286|1.617856|1.654520|1.817853|1.959811|2.156434|2.172110|1.978952|3.431293|2.496810|0.047851|2.321908|3.758197|2.709186|2.463410|3.028737|0.065025|1.929767|2.126752|3.279246|5.510535|5.650696|5.497018|8.839802|17.549796|8.805423|5.490776|4.839628|1.526373|0.062052|0.053539|0.052055|0.045807|0.041845|0.063099|0.059095|0.063913|0.085900|0.067938|0.062092|0.073942|0.050561|0.050732|0.054012|0.064857|0.054582|0.055718|0.111532|0.139994|0.211789|0.215343|0.303758|0.500000| |1.949342|1.801357|1.625542|1.512199|1.527744|1.676508|1.836624|2.032841|2.015463|1.802948|3.100762|2.276588|0.043409|2.184940|3.415250|2.347125|2.187488|2.643414|0.055091|1.717525|1.873648|3.005482|5.329264|4.853545|4.832370|5.486495|8.826535|17.550567|8.817837|5.487046|1.399148|0.060581|0.053646|0.051465|0.043897|0.039162|0.060980|0.055737|0.062385|0.070762|0.058861|0.057063|0.065743|0.046016|0.044793|0.048102|0.056292|0.047884|0.050495|0.094498|0.127287|0.123091|0.139281|0.215149|0.211484|0.500000| |1.906084|1.792175|1.609655|1.513351|1.552085|1.720075|1.867856|2.101121|2.139888|1.918672|3.350661|2.380128|0.045469|2.385432|3.845772|2.681851|2.553479|3.050273|0.063348|1.932671|2.190941|3.363921|5.675685|5.739225|5.641742|6.760072|8.848351|17.495398|8.848622|6.769547|1.430361|0.058817|0.052784|0.049654|0.042977|0.039041|0.062436|0.061391|0.067487|0.081792|0.065632|0.065751|0.079192|0.051796|0.050123|0.053459|0.067198|0.055249|0.058963|0.117858|0.131399|0.138916|0.199159|0.173734|0.214659|0.303546|0.500000| |2.512911|2.240291|1.961964|1.782581|1.791880|2.004888|2.273366|2.589298|2.506465|2.148163|3.607362|2.686624|0.050218|2.750236|4.272833|2.741923|2.473446|2.879135|0.059296|1.888913|1.980024|4.037878|7.736721|6.226989|6.786766|5.660321|6.783068|8.848177|17.507606|8.856820|1.602407|0.080208|0.070050|0.065261|0.052775|0.045493|0.080941|0.067941|0.081280|0.080708|0.068208|0.065551|0.073113|0.050791|0.048389|0.053866|0.058361|0.049981|0.053846|0.111734|0.201037|0.126776|0.131170|0.199452|0.139245|0.214849|0.173696|0.500000| |2.146569|1.952486|1.726675|1.592121|1.615563|1.802982|2.008251|2.293074|2.282413|1.983392|3.397899|2.457452|0.046359|2.575142|3.997509|2.606486|2.463643|2.865449|0.058192|1.864588|2.021564|3.601495|6.567817|5.593230|5.493865|4.836204|5.491302|8.808783|17.551491|8.836975|1.465234|0.066493|0.060807|0.055798|0.046332|0.040844|0.070514|0.065383|0.076329|0.075835|0.064109|0.065850|0.074735|0.050779|0.047729|0.052312|0.060153|0.050748|0.055699|0.108012|0.140070|0.106588|0.126838|0.139292|0.123119|0.211314|0.214670|0.303830|0.500000| |2.262955|2.126332|1.856566|1.737333|1.808717|2.065592|2.279571|2.697718|2.821370|2.429570|4.240174|2.902564|0.054540|3.381750|5.752938|3.732197|3.558507|3.913164|0.078917|2.427942|2.737575|5.353224|8.601483|9.559181|8.865979|6.812917|5.678444|6.789119|8.841967|17.465025|1.646100|0.070036|0.063978|0.057290|0.048744|0.044104|0.081590|0.085613|0.097907|0.110516|0.086381|0.092329|0.114078|0.065662|0.060879|0.067486|0.083384|0.066443|0.074953|0.200565|0.174421|0.139923|0.201164|0.131346|0.127150|0.139351|0.199676|0.173681|0.214690|0.500000| |2.734627|2.482004|2.115312|1.935038|1.993652|2.304480|2.633934|3.197084|3.224820|2.650203|4.474592|3.170385|0.058486|3.874867|6.289827|3.702359|3.355803|3.650439|0.073197|2.353192|2.469231|6.418393|12.078627|9.477253|8.857662|5.504899|4.841020|5.484861|8.799147|17.571369|1.774903|0.086180|0.078612|0.068327|0.055552|0.048644|0.101605|0.093946|0.119238|0.104970|0.087631|0.090256|0.101049|0.063930|0.058574|0.067167|0.072464|0.060509|0.068187|0.166692|0.216142|0.123702|0.139780|0.126796|0.106673|0.123104|0.139111|0.214757|0.211823|0.302130|0.500000| |2.999346|3.916384|4.271252|5.875804|8.799977|6.620934|4.538835|3.682491|3.670046|4.583302|7.292819|8.933103|0.225433|2.899562|3.459815|2.545471|2.276483|3.077916|0.063574|2.537552|1.937807|2.305607|4.126474|2.789150|1.838612|1.705303|1.538117|1.437064|1.514599|1.672999|17.523649|0.076684|0.079300|0.077068|0.099378|0.152624|0.085755|0.080108|0.073923|0.065784|0.081220|0.064402|0.056319|0.066847|0.068341|0.081778|0.050354|0.052883|0.052267|0.054575|0.053101|0.049866|0.045602|0.043628|0.040608|0.037506|0.038583|0.042905|0.039663|0.044775|0.048147|0.500000| |2.997775|3.914445|4.272348|5.879957|8.797582|6.610999|4.533122|3.673163|3.661497|4.583503|7.316692|8.926831|0.225654|2.883475|3.589331|2.706808|2.357358|3.220730|0.068320|2.602677|2.010034|2.418087|4.274963|2.970940|1.957754|1.842105|1.652792|1.518030|1.581278|1.744144|17.519676|0.079187|0.076600|0.077132|0.099427|0.152831|0.085530|0.077902|0.072282|0.071683|0.087565|0.064854|0.058388|0.066605|0.070928|0.083959|0.052688|0.055064|0.053198|0.057923|0.056773|0.054817|0.049013|0.047058|0.043848|0.039559|0.040635|0.044832|0.041001|0.046522|0.049550|0.300983|0.500000| |3.015930|3.940020|4.746602|7.281499|8.888941|5.553154|4.150396|3.261931|3.096859|3.591495|5.690423|6.560567|0.147963|2.496215|3.077166|2.253881|2.000765|2.697291|0.056440|2.154531|1.723186|2.120328|3.836589|2.608347|1.756284|1.647579|1.505535|1.398091|1.463042|1.591912|17.607516|0.076993|0.077164|0.080194|0.113648|0.224755|0.078454|0.067322|0.064723|0.059802|0.070474|0.055716|0.050394|0.056490|0.058516|0.067859|0.045468|0.047113|0.046213|0.050660|0.051278|0.048489|0.043699|0.043131|0.039921|0.036755|0.037310|0.041783|0.038212|0.042299|0.045518|0.302970|0.302965|0.500000|
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