Version2.2 2021-02-11T12:01:24Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 15-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCn1cc(cn1)c2cc(nc(n2)N)NC[C@H](c3ccc(cc3)F)[NH+]4CCCC4 C19718044 RHF 6-31G(d) (6D,7F) CCn1cc(cn1)c2cc(nc(n2)N)NC[C@H](c3ccc(cc3)F)[NH+]4CCCC4 C01[X(C21H27F1N7)] 162 C1 489 CCn1ncc(c1)c1cc(NC[C@@H]([NH+]2CCCC2)c2ccc(cc2)F)nc(n1)N CCn1ncc(c1)c1cc(NC[C@@H]([NH+]2CCCC2)c2ccc(cc2)F)nc(n1)N CCn1cc(cn1)c2cc(NC[C@@H]([NH+]3CCCC3)c4ccc(F)cc4)nc(N)n2 InChIKey=ASAHZCFEYDPLJQ-LJQANCHMSA-O InChI=1S/C21H26FN7/c1-2-29-14-16(12-25-29)18-11-20(27-21(23)26-18)24-13-19(28-9-3-4-10-28)15-5-7-17(22)8-6-15/h5-8,11-12,14,19H,2-4,9-10,13H2,1H3,(H3,23,24,26,27)/p+1/t19-/m1/s1 InChI=1/C21H26FN7/c1-2-29-14-16(12-25-29)18-11-20(27-21(23)26-18)24-13-19(28-9-3-4-10-28)15-5-7-17(22)8-6-15/h5-8,11-12,14,19H,2-4,9-10,13H2,1H3,(H3,23,24,26,27)/p+1/t19-/m1/s1/fC21H27FN7/h24,28H,23H2/q+1 CCn1cc(cn1)c2cc(nc(n2)N)NC[C@H](c3ccc(cc3)F)[NH+]4CCCC4 C01[X(C21H27F1N7)] 162 C01 489 CCn1ncc(c1)c1cc(NC[C@@H]([NH+]2CCCC2)c2ccc(cc2)F)nc(n1)N CC[N]1[N][CH][C]([CH]1)[C]1[CH][C]([N][C]([N]1)N)NC[C@H]([C]1[CH][CH][C]([CH][CH]1)F)[NH]1CCCC1 CCN1[CH][C]([CH][N]1)[C]2[CH][C]([N][C](N)[N]2)NC[C@H]([C]3[CH][CH][C](F)[CH][CH]3)[NH]4CCCC4 InChIKey=UZLRXGHQLDHEHZ-LJQANCHMSA-N InChI=1S/C21H27FN7/c1-2-29-14-16(12-25-29)18-11-20(27-21(23)26-18)24-13-19(28-9-3-4-10-28)15-5-7-17(22)8-6-15/h5-8,11-12,14,19,28H,2-4,9-10,13H2,1H3,(H3,23,24,26,27)/t19-/m1/s1 InChI=1/C21H27FN7/c1-2-29-14-16(12-25-29)18-11-20(27-21(23)26-18)24-13-19(28-9-3-4-10-28)15-5-7-17(22)8-6-15/h5-8,11-12,14,19,28H,2-4,9-10,13H2,1H3,(H3,23,24,26,27)/t19-/m1/s1/f/h24H,23H2 2626.9767515872 -1291.3442238 1-A 18743.6231 105 384 489 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -26.41917 -15.84713 -15.70863 -15.67990 -15.64531 -15.63627 -15.61313 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1.8418 2.3616 1.5315 1.8803 2.3731 1.1868 2.6372 3.4543 2.3340 1.3734 2.1766 1.3136 1.6851 1.3057 1.4420 1.7361 1.2138 3.5637 1.3233 1.2729 2.4530 1.3601 1.3232 3.0651 1.4416 1.4867 1.8257 1.3955 1.7394 1.4011 1.3121 1.3054 1.5697 1.7717 2.5458 2.8615 1.2331 1.1361 1.0823 2.1269 1.0937 1.1280 1.3923 2.5240 1.1033 1.1045 2.5297 2.5668 4.7080 5.6205 6.3753 3.0232 1.8546 5.4093 1.0750 1.0367 1.0708 1.0629 1.0633 1.1031 1.0672 1.0632 1.1032 1.0876 1.1020 1.1076 1.1048 1.0888 1.0911 1.1114 1.1063 1.0922 1.0957 1.0959 1.0947 1.0941 1.1004 1.0780 1.0764 1.0462 1.1067 0.0002 0.0011 0.0016 0.0018 0.0032 0.0032 0.0069 0.0081 0.0150 0.0196 0.0184 0.0261 0.0595 0.0497 0.0937 0.1078 0.0649 0.0985 0.0352 0.0591 0.0703 0.2018 0.3234 0.2319 0.3232 0.2139 0.4988 0.3393 0.3426 0.4780 0.3853 0.4398 0.4693 0.6193 0.5341 0.2597 0.5738 0.6426 0.5212 0.7982 0.8007 0.9208 1.5607 1.0523 0.9316 1.3544 1.0833 0.5517 2.0628 1.4787 1.5073 1.3021 0.5040 0.5242 1.0918 4.4014 3.0145 1.3242 0.7019 1.5873 1.1145 1.4476 0.7583 0.9484 1.3696 1.6277 1.1096 2.3406 1.1576 3.1608 1.6630 2.5481 0.9922 1.7021 1.7604 2.6507 2.0949 1.6469 1.2586 1.7826 1.5274 1.5551 2.0280 1.3533 1.7548 2.2637 1.1618 2.6208 3.5469 2.4146 1.4226 2.2882 1.4053 1.8070 1.4291 1.6193 1.9847 1.4140 4.1979 1.6370 1.5997 3.1166 1.7341 1.7138 4.0623 1.9269 2.0182 2.4943 1.9177 2.4123 1.9645 1.8665 1.8947 2.3126 2.6443 3.8313 4.3118 1.9284 1.7858 1.7091 3.3956 1.7505 1.8087 2.2404 4.0687 1.8043 1.8233 4.3058 4.3832 8.4809 10.3464 11.9840 5.7631 3.5821 10.5120 6.3086 6.3227 6.6291 6.6494 6.6883 6.9975 6.7707 6.7827 7.0682 6.9781 7.1003 7.1790 7.1697 7.0912 7.2285 7.3773 7.4082 7.3307 7.5133 7.5221 7.5659 7.6031 7.8395 8.6988 9.3298 9.1642 10.3661 0.4431 1.3070 2.4527 0.0654 1.8266 0.6935 2.2518 0.1464 1.0422 0.5699 0.2727 1.6030 0.7862 0.9775 0.2111 26.2771 9.5220 5.8966 309.0958 0.4036 0.2881 0.8942 0.1231 1.9418 4.0213 4.0525 2.2991 1.8243 5.6351 2.9574 0.1319 3.5960 6.8545 24.3186 2.0586 11.9266 16.0733 43.6494 43.3498 3.4147 13.2995 21.5735 12.5806 29.6952 19.1932 10.3427 33.8107 7.5494 5.2923 26.1862 21.7234 11.3483 0.9138 0.9762 6.9864 110.6913 6.7054 0.9034 14.2109 82.3564 58.5663 17.7104 0.2600 7.9701 0.5796 16.8646 27.3150 18.4171 2.5318 3.9410 56.8223 20.5844 3.1803 12.4324 0.4098 50.3915 2.4341 17.9003 6.2820 12.5148 4.9948 40.1621 8.7968 23.5583 3.1444 22.2907 13.9169 20.8678 34.2655 16.2250 43.5872 175.9210 6.7666 85.3723 10.8502 87.2516 7.2278 13.3534 141.4865 16.1394 6.1930 28.8098 1.3438 15.7390 17.1383 9.3908 42.2098 92.8779 22.9311 77.6500 22.3390 62.6842 24.6032 101.3767 95.4784 34.4492 99.9928 66.6735 39.1318 5.7495 54.8918 8.1254 6.5591 41.1821 142.0237 4.3041 3.9621 485.0795 38.3730 265.5239 1193.3253 4.0593 170.4958 655.6156 165.9545 51.1969 25.2564 14.5334 21.7427 14.7067 34.8231 3.9835 6.6397 20.1154 2.7487 2.5530 29.7542 6.3202 19.2881 11.3994 4.8342 2.2915 5.6803 0.1926 0.1144 0.1061 23.2749 1.3739 30.7690 43.7305 116.0484 69.2155 0.9414 5.0311 0.8342 0.9415 1.1422 1.0615 1.6865 3.5850 1.0005 0.0830 0.3405 0.8663 1.3985 1.2620 0.4571 0.7016 0.4363 1.1906 1.7759 0.4973 1.5496 0.2966 1.9784 2.6938 0.5454 0.8748 6.1072 0.8123 0.8214 0.5822 0.0250 0.0519 0.7541 0.4820 2.0799 2.4324 0.5347 2.2511 2.3373 1.8283 2.3336 0.4297 6.2679 1.5335 7.3834 0.7717 2.0345 0.6956 2.2398 3.0302 0.8064 0.2962 0.4302 0.3673 4.3882 0.6917 20.0535 2.4082 3.3849 24.5168 14.9787 7.4084 1.3944 2.2580 3.6204 13.1893 2.7184 12.5762 6.9269 19.9450 5.7245 14.3992 0.6081 2.6178 0.3304 10.1962 7.3810 17.2277 1.5459 2.9865 0.9402 10.0225 4.2375 2.5687 5.2410 1.9510 4.2265 6.3148 13.7342 15.7843 2.7498 7.0234 5.0590 21.3695 7.3263 3.5999 23.9451 13.6932 6.2118 2.9273 2.3948 38.1370 3.9968 6.0177 21.2805 4.0788 31.6398 30.8442 2.1065 33.6580 8.5958 3.2249 1.4054 6.4720 1.8457 37.5853 27.3519 24.2761 45.1818 17.4038 17.9701 9.4645 4.5983 10.0859 39.1964 8.1450 4.3620 38.9481 23.1460 238.4996 124.0824 6.9779 44.7654 15.7749 32.7308 58.4441 125.5285 73.5586 99.9123 80.3827 116.4803 18.0943 60.3479 115.8506 26.4953 80.6924 21.3985 102.8984 69.2917 38.1860 40.2240 41.8585 43.5145 125.6558 120.1175 6.9261 96.4550 37.1884 15.4910 70.2741 111.2240 51.2505 0.7491 0.7494 0.7496 0.7453 0.7479 0.7412 0.7134 0.7489 0.7408 0.7488 0.6950 0.7499 0.6785 0.2434 0.7390 0.6953 0.2677 0.2464 0.5845 0.2811 0.1722 0.7498 0.6421 0.5513 0.5902 0.2775 0.3659 0.5329 0.7315 0.6691 0.7444 0.6904 0.0901 0.6932 0.7494 0.7417 0.5738 0.6268 0.7468 0.4538 0.1554 0.6395 0.7237 0.6745 0.5642 0.5605 0.7393 0.5714 0.6525 0.6696 0.5728 0.7460 0.4442 0.6263 0.1233 0.3509 0.1194 0.3828 0.4351 0.0832 0.0825 0.1694 0.7448 0.7413 0.7358 0.2923 0.4553 0.2202 0.1336 0.1335 0.2042 0.3738 0.1556 0.0647 0.2040 0.1230 0.5204 0.5474 0.7495 0.6273 0.6603 0.1273 0.6950 0.7358 0.1878 0.5095 0.5906 0.1978 0.3270 0.2618 0.5785 0.6976 0.4334 0.3433 0.7464 0.6451 0.3177 0.7370 0.1200 0.7085 0.3306 0.3728 0.3307 0.5105 0.5675 0.6057 0.5325 0.5536 0.6184 0.4735 0.5691 0.7498 0.7500 0.6849 0.3420 0.1773 0.2980 0.7399 0.7395 0.7325 0.5173 0.6530 0.7470 0.5971 0.2339 0.7301 0.7320 0.5650 0.5664 0.4126 0.4011 0.7411 0.4298 0.6473 0.5289 0.1383 0.0566 0.1866 0.1327 0.1971 0.5772 0.3378 0.0569 0.6275 0.3232 0.2297 0.5408 0.6200 0.1452 0.3715 0.6743 0.4376 0.4760 0.2251 0.2867 0.6888 0.2242 0.3894 0.2171 0.2131 0.1632 0.7487 0.8565 0.8568 0.8569 0.8540 0.8558 0.8514 0.8327 0.8564 0.8511 0.8563 0.8200 0.8571 0.8085 0.3915 0.8499 0.8203 0.4224 0.3954 0.7378 0.4388 0.2938 0.8570 0.7820 0.7108 0.7423 0.4344 0.5357 0.6952 0.8449 0.8017 0.8535 0.8168 0.1654 0.8188 0.8567 0.8517 0.7292 0.7706 0.8551 0.6243 0.2689 0.7801 0.8397 0.8056 0.7214 0.7183 0.8501 0.7273 0.7897 0.8021 0.7284 0.8545 0.6152 0.7702 0.2195 0.5195 0.2134 0.5537 0.6064 0.1536 0.1525 0.2898 0.8537 0.8514 0.8478 0.4524 0.6257 0.3609 0.2357 0.2355 0.3391 0.5442 0.2693 0.1216 0.3388 0.2190 0.6845 0.7075 0.8568 0.7709 0.7954 0.2258 0.8201 0.8478 0.3162 0.6750 0.7426 0.3303 0.4928 0.4149 0.7330 0.8219 0.6047 0.5111 0.8548 0.7842 0.4822 0.8486 0.2143 0.8294 0.4970 0.5431 0.4971 0.6759 0.7241 0.7545 0.6949 0.7127 0.7642 0.6427 0.7253 0.8570 0.8571 0.8130 0.5096 0.3011 0.4592 0.8505 0.8502 0.8456 0.6818 0.7901 0.8552 0.7477 0.3792 0.8440 0.8453 0.7220 0.7232 0.5842 0.5725 0.8513 0.6012 0.7859 0.6919 0.2430 0.1072 0.3145 0.2343 0.3293 0.7319 0.5050 0.1077 0.7711 0.4885 0.3736 0.7019 0.7654 0.2535 0.5418 0.8055 0.6088 0.6450 0.3675 0.4456 0.8157 0.3663 0.5606 0.3567 0.3514 0.2806 0.8563 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 6 6 7 6 6 6 7 6 6 6 7 6 7 7 7 6 6 1 6 6 6 6 6 6 9 7 1 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 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 14.00307 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 18.99840 14.00307 1.00783 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 7307.8100 27383.5624 33443.9438 0.99987 0.01543 -0.00550 -0.01542 0.99988 0.00323 0.00555 -0.00314 0.99998 1 0.01185 0.00316 0.00259 0.24696 0.06591 0.05396 10.91 28.81 35.94 49.73 54.31 59.20 70.40 83.95 116.61 130.43 144.12 178.40 215.61 221.31 241.38 284.84 294.30 315.68 327.28 341.83 348.51 371.60 425.92 437.42 458.38 498.06 558.32 582.92 606.95 644.85 669.32 676.82 693.53 764.06 816.81 831.51 867.57 880.20 895.69 941.14 958.82 975.81 999.60 1030.70 1037.95 1067.55 1084.24 1103.94 1146.13 1152.97 1168.95 1227.03 1241.89 1244.53 1300.14 1318.76 1320.81 1346.76 1350.68 1364.00 1386.95 1407.33 1422.64 1465.94 1475.48 1492.64 1513.85 1531.37 1549.82 1559.86 1576.77 1579.47 1585.86 1586.47 1599.21 1614.70 1635.69 1659.97 1681.95 1695.00 1721.96 1722.41 1737.00 1761.97 1810.82 1830.72 1854.56 1868.58 1899.39 1906.55 1907.68 1921.91 1938.74 1941.04 1961.03 1986.32 2004.15 2023.14 2034.39 2084.82 2101.31 2112.83 2116.52 2133.21 2157.90 2167.06 2183.90 2190.92 2197.32 2207.40 2219.48 2235.66 2258.25 2275.14 2289.99 2299.45 2300.93 2344.10 2350.10 2355.55 2368.39 2371.45 2373.55 2377.75 2379.86 2397.07 2408.35 2445.44 2449.42 2515.78 2543.17 2569.91 2587.99 2605.02 2613.00 4540.70 4629.07 4663.78 4688.30 4701.05 4720.98 4721.29 4734.34 4744.62 4747.86 4757.91 4772.16 4774.96 4783.65 4824.69 4829.34 4850.47 4856.06 4908.44 4910.74 4927.71 4941.32 5003.04 5324.65 5518.35 5547.70 5736.78 0.510201 0.535590 0.536534 0.449219 -1290.834023 -1290.808634 -1290.807690 -1290.895005 2.928559D-04 MUNgauss RevisionA2.1 retrievium 11-Feb-2021 DUDE CCn1cc(cn1)c2cc(nc(n2)N)NC[C@H](c3ccc(cc3)F)[NH+]4CCCC4 C19718044 RHF 6-31G(d) (6D,10F) C1 396.231197 |X|Y|Z| 61.431675 120.276189 22.433380 54.931599 25 6 7 19 6 |36.858105| |12.506290|36.858105| |7.702267|13.102318|53.358707| |5.477245|7.606384|19.520511|36.858105| |4.279029|5.283487|11.891897|13.847609|36.858105| |4.555515|5.475457|12.349999|8.713356|13.466735|36.858105| |6.171568|7.897686|19.400664|8.617417|8.483415|14.667775|53.358707| |3.285037|3.829978|7.211295|7.530158|13.058386|7.300652|7.073729|36.858105| |2.781512|3.127999|5.575773|5.039222|7.652816|6.131296|5.937942|13.658981|36.858105| |2.358751|2.605823|4.394412|3.897258|5.119988|4.246177|4.525695|8.077717|13.724950|36.858105| |2.273168|2.511608|4.137147|3.748014|4.566298|3.644495|4.073641|7.019217|8.014482|14.428309|53.358707| |2.538688|2.852365|4.736285|4.541264|5.320044|3.922938|4.451214|8.441416|7.165934|8.468478|19.520733|36.858105| |3.070577|3.558304|6.239902|6.640780|8.040258|5.103674|5.654907|14.380618|8.010690|7.043974|10.937423|14.360635|53.358707| |2.335156|2.596644|4.120343|3.835190|4.101564|3.173764|3.787806|5.481874|4.758455|5.493709|11.395185|14.162056|11.392702|53.358707| |2.056360|2.232900|3.654902|3.085529|3.866587|3.485331|3.838727|5.198279|7.792332|13.777724|11.473813|5.478680|6.350831|5.719368|53.358707| |2.006513|2.146927|3.493965|2.842054|3.555449|3.435105|3.792911|4.378224|6.408629|7.687661|7.218878|4.046768|5.108285|4.428105|18.109348|36.858105| |1.740539|1.855700|2.942037|2.348835|2.816076|2.760297|3.169284|3.316942|4.360534|5.125921|5.575357|3.240018|4.054584|3.752228|10.765494|12.394256|36.858105| |1.720854|1.856467|2.939243|2.345540|2.800644|2.741798|3.159094|3.285333|4.259690|4.946646|5.463289|3.211732|4.030673|3.736407|9.794088|8.915182|17.628579|0.500000| |1.589288|1.680513|2.623220|2.103327|2.455186|2.359584|2.767365|2.895627|3.607633|4.414935|5.276297|3.056667|3.706431|3.676071|8.812242|7.443655|12.571170|0.247734|36.858105| |1.478312|1.571576|2.427835|1.947796|2.232930|2.127648|2.530313|2.618293|3.145909|3.843292|4.871053|2.869806|3.439816|3.557561|7.107846|5.227328|7.576274|0.205430|13.706589|36.858105| |1.367860|1.443989|2.204422|1.765189|1.986525|1.884194|2.273361|2.304982|2.675798|3.223852|4.288209|2.595381|3.097003|3.324818|5.542634|3.961017|5.016913|0.133662|7.887765|13.760105|36.858105| |1.350123|1.410546|2.146102|1.715003|1.921559|1.824818|2.210310|2.217763|2.552944|3.045961|4.077791|2.495172|2.988364|3.215989|5.122785|3.734886|4.454819|0.111629|6.899647|8.019749|13.824103|36.858105| |1.430498|1.484747|2.272283|1.814134|2.052058|1.959085|2.356947|2.371739|2.771069|3.294381|4.294411|2.609252|3.150715|3.298088|5.629867|4.307212|4.998947|0.116269|7.886404|6.868105|7.891795|13.786779|36.858105| |1.558048|1.624541|2.519377|2.014431|2.327383|2.236866|2.646655|2.718137|3.304434|3.966976|4.885604|2.891174|3.515832|3.528572|7.299599|6.103430|7.503373|0.154972|13.660427|7.951272|6.866080|8.016857|13.791182|36.858105| |1.253592|1.303685|1.963359|1.563125|1.725728|1.637909|2.007745|1.967580|2.209472|2.585434|3.541445|2.229909|2.684865|2.941445|4.146651|2.986815|3.405685|0.087714|4.671032|5.326034|8.195937|14.461138|8.197196|5.329357|97.533100| |1.667401|1.756472|2.753832|2.143062|2.535077|2.580689|3.014064|2.843605|3.590107|3.857130|4.317558|2.656292|3.444237|3.131246|6.916648|7.610359|12.517592|0.254009|7.665598|5.435427|4.074178|3.802876|4.337351|6.092217|6.821702|53.358707| |1.662642|1.731598|2.706264|2.101531|2.474741|2.521870|2.958916|2.762297|3.449151|3.688865|4.176365|2.586556|3.359034|3.062907|6.464295|7.061651|9.257529|0.182189|7.146436|4.909052|3.905435|3.864418|4.675126|6.747785|6.966274|25.717311|0.500000| |1.481288|1.556876|2.398457|1.851468|2.135998|2.171273|2.598323|2.357187|2.847068|3.058525|3.600339|2.262486|2.925975|2.741728|5.230181|4.906256|7.460626|0.192555|6.398771|5.368616|4.180561|3.810437|4.102301|5.194021|6.949024|17.222356|0.260017|36.858105| |1.448078|1.509975|2.307741|1.751226|2.003007|2.082645|2.525576|2.149524|2.543267|2.624981|3.105748|2.005684|2.650024|2.441321|4.255645|3.931867|5.036615|0.132627|4.332808|3.760998|3.160535|2.996336|3.245039|3.897133|5.736588|10.949643|0.202286|12.528172|36.858105| |1.594685|1.670101|2.575040|1.936300|2.241657|2.387726|2.873006|2.370877|2.832614|2.817751|3.252994|2.118633|2.854586|2.540087|4.474188|4.241558|5.007155|0.135287|3.913177|3.355085|2.786274|2.630835|2.860342|3.480571|5.069385|10.641661|0.188053|7.890116|12.376824|36.858105| |1.772059|1.873007|2.950329|2.254041|2.686215|2.841931|3.310238|2.913453|3.658443|3.646459|4.021369|2.555436|3.430522|2.987753|6.025560|6.350558|7.419074|0.192137|4.916956|3.950364|3.131746|2.931202|3.247233|4.182124|5.506684|17.147506|0.257620|7.975592|7.768275|12.359179|36.858105| |17.564759|8.808745|9.417975|5.587287|4.350056|4.387480|7.446419|3.413519|2.856799|2.440479|3.236053|2.682488|4.427636|3.376398|2.875015|2.046845|1.763388|0.048079|1.622421|1.504915|1.398034|1.388076|1.476215|1.603435|2.904100|2.285979|0.046793|1.486901|1.446060|1.581364|1.765137|0.500000| |17.595606|8.833285|9.476064|4.918631|4.168707|4.781869|9.094538|3.199292|2.787909|2.344744|3.020074|2.428114|3.952405|3.002643|2.813943|2.052721|1.779086|0.048688|1.612740|1.490187|1.373871|1.357961|1.445980|1.583053|2.829264|2.346514|0.047886|1.527181|1.505354|1.670765|1.851623|0.300678|0.500000| |17.560557|8.865777|7.624527|4.333333|3.487358|3.659186|6.400423|2.799527|2.413386|2.091211|2.768749|2.259516|3.636114|2.880812|2.513376|1.802603|1.585868|0.043679|1.458803|1.366439|1.271692|1.255553|1.323874|1.431608|2.637555|2.075918|0.042225|1.368752|1.342151|1.470015|1.616119|0.300782|0.300841|0.500000| |8.813587|17.606065|12.640798|7.302950|4.863458|4.601409|7.937443|3.715935|2.988089|2.546379|3.423958|2.915623|4.946479|3.699287|2.955405|2.054000|1.786119|0.049790|1.634408|1.541377|1.424313|1.389982|1.454371|1.579872|2.902646|2.280397|0.045810|1.493431|1.438834|1.576277|1.765492|0.211328|0.173100|0.211639|0.500000| |8.824538|17.617811|12.614498|5.930243|4.583827|5.020516|9.910154|3.428457|2.897142|2.429941|3.162045|2.589711|4.293620|3.216306|2.880241|2.053364|1.797311|0.050321|1.620507|1.522091|1.395963|1.357128|1.422542|1.556777|2.823041|2.333934|0.046708|1.530404|1.493490|1.660143|1.846323|0.172946|0.211200|0.212876|0.302347|0.500000| |5.047138|6.770303|12.318096|17.827499|8.583281|5.876217|8.054630|6.458505|4.405723|3.644344|5.034740|4.694273|9.301273|5.692902|3.939377|2.614136|2.193498|0.060939|2.002636|1.876585|1.719430|1.673176|1.757154|1.926443|3.457039|2.705320|0.054210|1.736003|1.633805|1.782035|2.056982|0.148783|0.120120|0.116282|0.212600|0.146472|0.500000| |3.805102|4.309613|8.323941|5.882936|8.474743|17.784164|12.649706|6.251362|6.233579|4.308108|4.816245|3.612971|6.000846|3.975528|5.017273|3.816843|3.036475|0.083415|2.526810|2.245339|1.964922|1.899855|2.054606|2.381132|3.806736|3.938304|0.078342|2.394720|2.317312|2.720924|3.290236|0.101824|0.114392|0.087854|0.102582|0.114662|0.123686|0.500000| |2.783152|3.097945|5.519151|4.647631|6.993721|6.766456|6.304903|8.864373|17.813730|8.788537|7.732115|5.110417|7.761260|5.111573|9.405600|6.923212|4.619806|0.124613|3.621567|3.093772|2.600413|2.481954|2.719133|3.298714|4.816157|5.412236|0.105577|3.071408|2.790948|3.218029|4.283094|0.078182|0.079371|0.066956|0.080178|0.081085|0.109340|0.219457|0.500000| |2.091719|2.290189|3.573491|3.210406|3.443170|2.779563|3.342446|4.459242|4.168063|5.062513|10.575566|9.413029|8.170160|26.118321|5.647484|3.194473|2.770778|0.076336|2.798870|2.750811|2.617695|2.540963|2.576251|2.706176|5.262255|3.122697|0.062491|2.027228|1.789695|1.836529|2.148992|0.061568|0.055318|0.053144|0.066182|0.058484|0.095516|0.072553|0.094040|0.500000| |2.460274|2.741360|4.279977|4.019880|4.056301|3.121239|3.821084|5.061015|4.170805|4.470149|8.175733|9.430041|10.591542|26.112417|4.781348|2.845521|2.435957|0.067394|2.377367|2.301298|2.168422|2.111822|2.167546|2.302279|4.397844|2.832622|0.056780|1.837126|1.657748|1.730078|2.010647|0.073236|0.063576|0.062163|0.081348|0.068549|0.127896|0.078284|0.094189|0.308766|0.500000| |1.907955|2.054340|3.300065|2.780015|3.355375|3.006755|3.406880|4.405559|5.854784|9.653262|11.268633|5.257301|5.775009|5.827868|25.987152|9.179058|7.191147|0.178476|7.261463|6.024615|4.786990|4.442948|4.849026|6.158518|7.923644|6.344663|0.123894|3.703893|2.971358|3.006370|3.874242|0.054748|0.052991|0.047975|0.056024|0.053998|0.074018|0.086749|0.143099|0.123319|0.098040|0.500000| |2.149741|2.320498|3.832866|3.080384|3.959085|3.975100|4.278471|4.731569|7.191608|7.167898|6.583941|3.914794|5.216706|4.235364|12.668526|17.666962|8.879315|0.218605|5.489286|4.253871|3.322652|3.113695|3.490635|4.620182|5.783742|9.566220|0.174341|4.623844|3.934302|4.585003|7.285465|0.060280|0.061604|0.053312|0.060928|0.062072|0.076911|0.128092|0.252925|0.082847|0.076860|0.180780|0.500000| |2.014186|2.115757|3.423346|2.763201|3.418755|3.335514|3.720426|4.110236|5.707469|6.467036|6.515551|3.785858|4.836629|4.209919|12.251161|17.452056|8.767549|0.173830|6.666756|4.604317|3.710930|3.710116|4.535284|6.542991|6.742199|9.464613|0.210367|4.566901|3.818977|4.054228|5.768984|0.057582|0.057550|0.050195|0.056012|0.055812|0.070656|0.102874|0.171361|0.084665|0.076108|0.208881|0.302857|0.500000| |1.479177|1.586188|2.450448|1.963619|2.249099|2.146170|2.554762|2.627327|3.144045|3.790989|4.793378|2.854542|3.444369|3.536374|6.837175|4.913057|7.030677|0.228355|8.895660|17.714912|8.969230|5.692156|4.949405|5.644039|9.646536|6.975273|0.122311|5.208231|3.696273|3.374247|3.953831|0.041580|0.041358|0.038030|0.043268|0.042917|0.052517|0.062893|0.086099|0.075333|0.063642|0.152721|0.116891|0.115166|0.500000| |1.297835|1.373013|2.081276|1.663189|1.851284|1.753465|2.134019|2.130445|2.425714|2.881736|3.910928|2.418129|2.892628|3.154811|4.760173|3.339415|4.084237|0.114071|5.611443|8.857191|17.751043|8.960599|5.639395|4.951352|16.729871|4.669856|0.090526|3.605930|2.823949|2.509028|2.759783|0.036768|0.036094|0.033669|0.037784|0.036983|0.045270|0.050468|0.065232|0.069282|0.057521|0.111759|0.080423|0.086452|0.214545|0.500000| |1.395854|1.436112|2.184243|1.736777|1.946875|1.862841|2.259203|2.224992|2.553229|2.971105|3.918946|2.437829|2.970480|3.114929|4.857017|3.716007|4.065503|0.095959|5.608453|4.952370|5.641596|8.951165|17.750251|8.865373|16.755121|5.053422|0.114017|3.516786|2.930632|2.604886|2.900617|0.040177|0.039216|0.035960|0.039085|0.038126|0.046867|0.054049|0.069624|0.067558|0.057484|0.113552|0.085972|0.112421|0.107515|0.124561|0.500000| |1.631267|1.687102|2.625683|2.090252|2.429736|2.358252|2.779857|2.815057|3.441933|4.008691|4.819191|2.893121|3.584275|3.487818|7.141257|6.429331|6.893295|0.139310|8.835563|5.633799|4.946954|5.696969|9.012106|17.690800|9.667573|8.432961|0.213214|4.912142|3.922922|3.601287|4.383313|0.046784|0.046307|0.041469|0.045291|0.044751|0.055123|0.070293|0.097093|0.073303|0.063721|0.157798|0.136035|0.220913|0.123627|0.107477|0.215774|0.500000| |1.409838|1.474659|2.259001|1.751381|2.002850|2.011294|2.421529|2.222804|2.652390|2.906626|3.502899|2.195547|2.804843|2.694214|4.975556|4.481350|6.652453|0.164270|7.028087|6.006364|4.866132|4.531568|4.890652|6.033281|8.107247|12.200119|0.228976|17.687822|8.631812|5.637061|5.722558|0.039516|0.040221|0.036288|0.039492|0.040102|0.045998|0.060826|0.077774|0.055944|0.050095|0.101827|0.112182|0.119916|0.150717|0.113682|0.114346|0.151078|0.500000| |1.465784|1.554307|2.392815|1.851309|2.130650|2.154643|2.581817|2.356736|2.833806|3.058414|3.624765|2.279243|2.939140|2.770194|5.206761|4.645691|7.097396|0.216859|6.009225|5.628714|4.257496|3.665759|3.740581|4.568096|6.738549|12.391067|0.182633|17.611654|8.762087|6.799475|6.994543|0.040712|0.041805|0.037694|0.041563|0.042620|0.048343|0.065649|0.084226|0.056900|0.051466|0.102190|0.124055|0.114160|0.166568|0.105029|0.088414|0.115965|0.300405|0.500000| |1.420587|1.467433|2.233631|1.691390|1.924985|2.001718|2.439973|2.058162|2.415378|2.490161|2.969853|1.927133|2.547895|2.356524|3.997236|3.678977|4.499050|0.113324|4.077742|3.479523|3.024166|2.977127|3.310564|3.925462|5.758581|9.346587|0.202866|8.865125|17.563001|8.744539|6.322609|0.039568|0.041107|0.036607|0.038816|0.040170|0.043915|0.061662|0.073286|0.048090|0.044600|0.078416|0.100521|0.103901|0.091989|0.074647|0.085034|0.113390|0.216730|0.173494|0.500000| |1.355240|1.414077|2.142400|1.619421|1.831084|1.901028|2.331904|1.951178|2.268448|2.338740|2.815289|1.837045|2.428858|2.260605|3.723953|3.292190|4.128638|0.113732|3.712189|3.414448|2.946612|2.766042|2.903997|3.343519|5.407051|7.811777|0.144725|8.806853|17.620445|8.670168|5.702016|0.037483|0.039053|0.035086|0.037543|0.039030|0.042175|0.058235|0.068394|0.046121|0.042831|0.072959|0.091792|0.088023|0.095273|0.074978|0.073367|0.091541|0.196129|0.215972|0.303141|0.500000| |1.607714|1.666894|2.557395|1.901504|2.188475|2.365933|2.874428|2.274803|2.678005|2.613689|3.035828|2.005126|2.731842|2.410642|4.040302|3.777424|4.159277|0.109742|3.378985|2.898719|2.475908|2.390953|2.627573|3.144551|4.678233|8.185016|0.162331|5.772931|8.716331|17.622808|8.732759|0.044242|0.047148|0.041192|0.043452|0.046069|0.048453|0.075301|0.084975|0.048244|0.045950|0.075602|0.114079|0.104447|0.079849|0.062226|0.067930|0.092779|0.127670|0.137945|0.223299|0.189530|0.500000| |1.566113|1.651466|2.534452|1.895549|2.179158|2.330081|2.827398|2.283285|2.690450|2.655010|3.093704|2.035547|2.756763|2.452120|4.136752|3.752220|4.371570|0.125969|3.471911|3.112515|2.600862|2.414985|2.559256|3.038686|4.707595|8.144210|0.140856|6.397583|8.750976|17.612671|8.821814|0.042848|0.045518|0.040249|0.043333|0.045974|0.048493|0.073485|0.084513|0.049115|0.046557|0.077163|0.114507|0.096997|0.089646|0.066323|0.064746|0.085461|0.132172|0.176830|0.175624|0.221991|0.303573|0.500000| |1.824416|1.958089|3.105016|2.382208|2.860718|3.019607|3.487250|3.116513|3.949520|3.902173|4.255500|2.703053|3.641015|3.136798|6.391553|6.388578|7.307965|0.221759|4.708414|3.970197|3.099877|2.820406|3.033525|3.830453|5.318673|12.358340|0.183496|6.650748|6.044549|8.696115|17.643042|0.050183|0.052715|0.046171|0.051353|0.053900|0.060208|0.097243|0.129336|0.062288|0.058456|0.111258|0.219378|0.147256|0.115666|0.077029|0.074710|0.107711|0.137429|0.189706|0.135303|0.137445|0.179724|0.228607|0.500000| 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