Version2.0 2020-07-20T08:47:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 02-Jun-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c(c2cc(ccc2[nH]1)C#N)CCNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(cc5)Cl C44714463 RHF 6-31G(d) (6D,7F) Cc1c(c2cc(ccc2[nH]1)C#N)CCNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(cc5)Cl C01[X(C28H31Cl1N5O2)] 195 C1 606 N#Cc1ccc2c(c1)c(CCNC(=O)[C@H]1CN(CC31CC[NH2+]CC3)C(=O)c1ccc(cc1)Cl)c([nH]2)C N#Cc1ccc2c(c1)c(CCNC(=O)[C@H]1CN(CC31CC[NH2+]CC3)C(=O)c1ccc(cc1)Cl)c([nH]2)C Cc1[nH]c2ccc(cc2c1CCNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(Cl)cc5)C#N InChIKey=QDYSIDHBGVWQLQ-XMMPIXPASA-O InChI=1S/C28H30ClN5O2/c1-18-22(23-14-19(15-30)2-7-25(23)33-18)8-11-32-26(35)24-16-34(17-28(24)9-12-31-13-10-28)27(36)20-3-5-21(29)6-4-20/h2-7,14,24,31,33H,8-13,16-17H2,1H3,(H,32,35)/p+1/t24-/m1/s1 InChI=1/C28H30ClN5O2/c1-18-22(23-14-19(15-30)2-7-25(23)33-18)8-11-32-26(35)24-16-34(17-28(24)9-12-31-13-10-28)27(36)20-3-5-21(29)6-4-20/h2-7,14,24,31,33H,8-13,16-17H2,1H3,(H,32,35)/p+1/t24-/m1/s1/fC28H31ClN5O2/h31-32H/q+1 Cc1c(c2cc(ccc2[nH]1)C#N)CCNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(cc5)Cl C01[X(C28H31Cl1N5O2)] 195 C01 606 N#Cc1ccc2c(c1)c(CCNC(=O)[C@H]1CN(CC31CC[NH2+]CC3)C(=O)c1ccc(cc1)Cl)c([nH]2)C N#C[C]1[CH][CH][C]2[C]([CH]1)[C](=C(N2)C)CCNC(=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[CH][CH][C]([CH][CH]1)Cl CC1=C(CCNC(=O)[C@H]2CN(CC23CC[NH2]CC3)C(=O)[C]4[CH][CH][C](Cl)[CH][CH]4)[C]5[CH][C]([CH][CH][C]5N1)C#N InChIKey=LALRNGGAGVQGCQ-XMMPIXPASA-N InChI=1S/C28H31ClN5O2/c1-18-22(23-14-19(15-30)2-7-25(23)33-18)8-11-32-26(35)24-16-34(17-28(24)9-12-31-13-10-28)27(36)20-3-5-21(29)6-4-20/h2-7,14,24,33H,8-13,16-17,31H2,1H3,(H,32,35)/t24-/m1/s1 InChI=1/C28H31ClN5O2/c1-18-22(23-14-19(15-30)2-7-25(23)33-18)8-11-32-26(35)24-16-34(17-28(24)9-12-31-13-10-28)27(36)20-3-5-21(29)6-4-20/h2-7,14,24,33H,8-13,16-17,31H2,1H3,(H,32,35)/t24-/m1/s1/f/h32H 3952.1970255918 -1959.6854977 1-A 25943.4305 133 473 606 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.89943 -20.62513 -20.62384 -15.82115 -15.69846 -15.68519 -15.68441 -15.68044 -11.44747 -11.44588 -11.42772 -11.42501 -11.40156 -11.38768 -11.37717 -11.37662 -11.37400 -11.36767 -11.36719 -11.36249 -11.35620 -11.35545 -11.35174 -11.35120 -11.35104 -11.34679 -11.33789 -11.33543 -11.33350 -11.33298 -11.32964 -11.32782 -11.32699 -11.32591 -11.31710 -11.31400 -10.63287 -8.10226 -8.09882 -8.09880 -1.49449 -1.49222 -1.46510 -1.40325 -1.36656 -1.34786 -1.33264 -1.27645 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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| 6.6631 15.8229 21.5901 29.1269 43.7547 49.4726 66.1257 80.6640 84.8457 95.1139 98.1924 114.0269 114.6064 122.0720 139.4561 151.3212 171.1498 182.4519 184.1415 199.7520 213.3448 222.3332 250.2459 261.6265 281.3530 295.1738 301.4888 318.5728 332.8163 343.1032 343.5631 358.8576 387.8446 403.3134 413.3287 443.0142 448.5620 461.9635 465.8336 479.0186 480.6851 493.9269 496.4413 514.7184 538.8015 552.9855 560.7330 566.5011 584.6466 586.6079 595.5517 648.1805 653.5754 658.8412 682.2500 689.8227 693.5774 739.8544 751.5690 753.5578 772.3541 791.1446 829.7682 839.5853 850.4194 851.9824 858.4648 868.0576 872.1871 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3260.2684 3261.9439 3263.0116 3270.0380 3270.7183 3279.8713 3280.6255 3326.4801 3327.0742 3329.0661 3331.4497 3337.1748 3340.1705 3369.1109 3382.3144 3387.6162 3398.0595 3400.0981 3408.4306 3413.0126 3419.6420 3479.1262 3715.1520 3855.1530 3896.8614 6.6920 6.9388 6.4434 6.6706 6.3755 5.0108 4.5001 5.7526 4.5151 5.5326 1.2500 3.8696 3.5854 5.0423 5.1706 3.7229 4.3211 4.0722 4.9885 4.7542 4.5278 4.0342 3.6985 2.8723 4.5026 3.8052 3.8788 3.0285 4.4978 5.9000 5.2299 4.3766 2.2804 2.7529 3.7587 6.9902 2.1087 2.9669 1.5738 3.0205 2.6944 2.2317 3.5032 3.0429 4.4950 3.5457 4.3070 5.6083 2.4230 4.4767 1.3258 3.4032 3.4413 5.6808 3.7727 5.6723 3.0139 4.8851 3.8970 5.1462 4.6867 4.9146 5.0140 4.4356 4.8283 5.4786 5.3513 3.5944 2.0587 2.4410 2.5852 1.6244 2.6198 1.2766 2.8780 1.5952 1.7288 2.4157 2.7045 3.1185 1.7107 1.9878 1.9005 1.9264 2.0556 1.3244 2.1120 1.4298 1.8482 2.9422 1.4172 2.3983 2.0409 2.4710 1.9472 2.3059 2.5955 2.5532 1.9262 3.2238 3.1419 2.9117 1.6563 1.3689 2.3744 3.1538 3.0549 1.4536 1.2366 2.0062 1.6124 2.4478 1.8618 2.5344 1.6797 1.2868 1.7711 1.9600 1.7481 1.3031 1.7376 2.1346 1.2932 1.3580 1.2493 1.2004 2.0310 1.3955 1.3036 1.4528 1.3744 1.3878 1.4335 2.4249 2.5078 1.4990 1.3930 1.4256 1.3152 3.2817 1.9650 1.1031 1.0639 1.1076 1.1041 1.2439 1.1158 3.2344 1.1373 1.1498 1.0918 1.0843 1.2094 1.9878 1.8081 6.5096 6.6050 5.1845 5.3367 5.6382 1.0708 12.1853 8.7750 12.6971 1.0743 1.0415 1.0745 1.0666 1.0728 1.0845 1.0704 1.0712 1.1029 1.0892 1.0626 1.0903 1.0728 1.1025 1.0970 1.1065 1.1049 1.0947 1.0998 1.0995 1.0903 1.0905 1.0906 1.0974 1.0961 1.0967 1.0924 1.0746 1.0805 1.0783 1.0814 0.0002 0.0010 0.0018 0.0033 0.0072 0.0072 0.0116 0.0221 0.0192 0.0295 0.0071 0.0296 0.0277 0.0443 0.0592 0.0502 0.0746 0.0799 0.0997 0.1118 0.1214 0.1175 0.1365 0.1158 0.2100 0.1953 0.2077 0.1811 0.2935 0.4092 0.3637 0.3321 0.2021 0.2638 0.3783 0.8083 0.2500 0.3731 0.2012 0.4083 0.3668 0.3208 0.5087 0.4750 0.7688 0.6388 0.7979 1.0604 0.4880 0.9076 0.2771 0.8424 0.8661 1.4528 1.0346 1.5903 0.8542 1.5755 1.2969 1.7217 1.6472 1.8124 2.0340 1.8422 2.0574 2.3430 2.3236 1.5958 0.9227 1.1150 1.2814 0.8142 1.3756 0.6867 1.5491 0.8660 0.9514 1.4172 1.6842 1.9548 1.0942 1.2779 1.2267 1.3055 1.4151 0.9129 1.4792 1.0270 1.3359 2.1503 1.0420 1.7977 1.5476 1.9176 1.5489 1.8478 2.0913 2.0915 1.6282 2.7448 2.6999 2.5143 1.5095 1.2682 2.2165 3.0234 2.9810 1.4294 1.2352 2.0276 1.6622 2.5493 1.9752 2.6951 1.8027 1.4265 2.0287 2.2482 2.0357 1.5294 2.1200 2.6082 1.5985 1.6884 1.5624 1.5102 2.6326 1.8617 1.7494 1.9681 1.9002 1.9408 2.0134 3.4406 3.6264 2.1756 2.0302 2.0790 1.9388 4.9007 3.0277 1.7027 1.6531 1.7278 1.7395 1.9733 1.7737 5.1640 1.8192 1.8405 1.7729 1.7660 1.9803 3.2765 3.1041 11.7844 12.0713 9.6661 10.2055 11.0288 2.1744 27.0248 19.5759 49.0432 6.4498 6.3270 6.5749 6.5307 6.5942 6.7104 6.7037 6.7153 6.9186 6.8621 6.6976 6.9105 6.8030 7.1880 7.1542 7.2252 7.2253 7.1828 7.2291 7.3530 7.3490 7.3736 7.4194 7.4745 7.5025 7.5267 7.5268 7.6639 8.7866 9.4423 9.6757 0.3061 0.1248 0.3494 4.9604 4.3052 3.6194 0.7872 1.8976 6.8908 2.4624 0.5303 0.8540 0.5559 6.7544 4.0368 3.4138 12.6969 4.9975 4.4602 13.6174 8.8304 17.5806 5.3488 4.3326 3.2116 4.8630 1.1747 18.7632 0.1583 1.3514 2.4942 3.0294 3.6588 15.9585 8.4652 6.3712 0.5863 0.8003 66.2583 0.5225 11.5426 40.3489 18.3987 7.0956 17.3446 5.6509 13.1532 3.3597 47.6235 7.3900 100.4585 11.5851 12.8157 1.4908 29.9018 4.7481 2.3383 5.1103 7.2512 1.7981 8.4469 3.4114 19.1861 3.5656 21.7599 2.2833 11.7849 29.6635 2.9007 2.2058 8.9844 36.0680 3.5521 2.0352 0.5078 4.9207 40.8746 3.4619 4.1833 6.7437 21.8833 8.4368 6.4494 3.5575 1.2702 0.2306 12.0318 7.9338 26.1752 31.6771 0.9207 17.8519 17.7196 23.8687 5.8642 3.6801 14.6560 4.8923 0.9339 6.8221 8.8527 113.0281 9.1354 7.5867 91.4336 27.7325 14.4413 13.4187 38.2436 36.8561 48.7970 12.0229 45.2697 13.6528 21.7121 60.0235 234.5755 2.3391 21.4854 29.7425 179.0519 10.3338 5.2960 17.8761 17.7998 26.8823 2.6763 36.0978 3.6784 0.9586 4.4047 0.6014 27.1754 21.9231 314.1104 37.7413 4.8416 11.4749 3.3965 54.8869 5.8461 16.6912 6.8377 28.0956 12.1228 2.3221 9.1991 94.8844 24.1314 11.5964 18.7816 18.1691 10.4035 11.6060 372.6950 3.3377 3.2729 24.2999 101.2989 80.3298 75.4532 359.2818 181.3315 406.6358 37.4939 30.2859 35.8533 5.9696 23.4536 14.2254 8.4983 21.1304 15.9582 4.1612 18.3591 34.3045 24.1359 4.8279 16.5500 10.3150 11.1240 8.9654 30.0710 1.2950 2.4354 5.0033 0.4322 6.2273 2.0754 0.7389 1.5223 894.0776 114.1639 28.9468 135.2969 1.1346 2.4563 4.9468 1.4775 1.8570 1.5987 5.3423 1.6675 0.5576 1.4011 0.3422 1.7953 3.2072 0.5022 1.0344 0.8118 1.2786 0.5905 0.7471 1.3282 0.5468 1.2893 0.6055 0.9229 2.5856 2.6200 0.7682 0.8803 1.1004 2.1865 1.1082 0.8509 0.9836 0.1707 0.5738 8.0915 0.9224 0.2119 1.3400 0.4298 1.4309 1.2722 1.0455 0.8985 1.8646 2.8686 1.8958 5.2170 2.6306 5.4296 0.5929 6.2098 2.0093 5.8865 0.5456 4.4029 3.3008 8.9051 1.1585 14.4974 1.3003 1.2260 4.6515 5.6417 17.4866 1.2097 3.0612 7.7565 2.7443 2.3161 5.3180 2.3079 0.7762 3.0398 8.3769 3.0699 0.7280 1.7812 13.2223 11.8958 2.5344 2.3520 1.1511 2.5661 4.0603 0.1214 4.6975 1.4883 1.9189 1.8942 0.1042 2.1797 9.5722 2.5386 5.0552 0.8092 3.0483 10.5629 0.4538 14.9571 3.5151 14.0024 3.3231 6.0452 3.8008 107.3928 6.9214 6.4586 7.2465 2.6278 5.6246 4.4143 4.6729 9.2167 19.0193 1.8829 11.1092 28.2138 5.9116 19.3207 19.8786 49.3003 1.9856 3.2798 11.9212 5.8052 12.5498 1.6012 1.2002 3.5018 1.1068 3.1857 2.8296 2.5765 8.1183 1.8556 7.3810 5.3353 2.6159 77.3932 5.5748 14.0315 7.8399 24.0851 5.2687 57.1035 14.4083 17.8042 5.5864 2.2521 7.5716 9.7049 8.5418 4.4854 2.4674 74.1517 2.2626 44.1230 134.7454 70.6471 4.7262 40.9622 6.9349 523.0129 60.1125 278.0084 83.7881 74.2402 37.9392 59.3812 158.7362 52.7663 134.2515 68.0085 62.9295 93.1759 81.9341 80.2472 61.3755 35.0552 31.6900 22.0002 78.0903 43.4361 64.8331 35.2708 44.9272 159.1125 76.6499 126.8342 94.3380 232.5135 76.4183 28.4664 122.6608 0.7489 0.7462 0.7336 0.7384 0.7288 0.7344 0.7180 0.7079 0.7016 0.7500 0.7491 0.7041 0.7230 0.6062 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12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 14.00307 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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 7455.8890 42477.5100 46982.4074 0.99997 0.00699 -0.00199 -0.00701 0.99992 -0.01047 0.00191 0.01049 0.99994 1 0.01162 0.00204 0.00184 0.24206 0.04249 0.03841 9.59 22.77 31.06 41.91 62.95 71.18 95.14 116.06 122.07 136.85 141.28 164.06 164.89 175.63 200.65 217.72 246.25 262.51 264.94 287.40 306.96 319.89 360.05 376.42 404.80 424.69 433.78 458.36 478.85 493.65 494.31 516.32 558.02 580.28 594.69 637.40 645.38 664.66 670.23 689.20 691.60 710.65 714.27 740.57 775.22 795.62 806.77 815.07 841.18 844.00 856.87 932.59 940.35 947.93 981.61 992.50 997.90 1064.49 1081.34 1084.20 1111.25 1138.28 1193.85 1207.98 1223.56 1225.81 1235.14 1248.94 1254.88 1266.86 1319.64 1327.00 1358.27 1374.76 1375.18 1381.04 1390.57 1435.68 1479.18 1484.04 1499.06 1502.91 1505.94 1543.02 1555.22 1556.22 1568.70 1588.63 1593.62 1602.42 1607.29 1622.81 1632.24 1651.25 1671.74 1677.94 1682.55 1696.52 1723.37 1729.57 1737.57 1741.80 1789.49 1804.14 1811.01 1835.28 1851.63 1858.70 1873.36 1884.37 1903.18 1912.89 1930.68 1932.92 1941.86 1973.61 2006.10 2007.51 2022.73 2030.67 2070.43 2071.94 2083.99 2090.02 2096.15 2102.45 2134.10 2164.96 2171.44 2181.66 2203.99 2216.65 2221.43 2232.77 2254.03 2258.17 2262.89 2263.56 2275.88 2290.61 2326.72 2328.80 2336.48 2341.17 2352.71 2360.91 2363.29 2368.45 2370.68 2371.55 2388.54 2392.17 2398.48 2406.49 2455.97 2522.00 2534.02 2559.40 2592.09 2621.58 2671.06 2791.46 2799.65 3683.87 4592.75 4619.87 4636.73 4638.18 4647.24 4662.53 4690.80 4693.21 4694.75 4704.86 4705.83 4719.00 4720.09 4786.06 4786.92 4789.78 4793.21 4801.45 4805.76 4847.40 4866.40 4874.02 4889.05 4891.98 4903.97 4910.56 4920.10 5005.69 5345.28 5546.71 5606.71 0.602853 0.633056 0.634000 0.537946 -1959.082645 -1959.052442 -1959.051498 -1959.147552 3.221667D-04 MUNgauss RevisionA2.0 retrievium 20-Jul-2020 DUDE Cc1c(c2cc(ccc2[nH]1)C#N)CCNC(=O)[C@H]3CN(CC34CC[NH2+]CC4)C(=O)c5ccc(cc5)Cl C44714463 RHF 6-31G(d) (6D,10F) C1 504.216628 |X|Y|Z| 58.479915 31.748121 146.681691 64.818686 30 6 7 26 4 |36.858105| |12.726795|36.858105| |7.313462|14.060449|36.858105| |5.115225|8.504100|13.149216|36.858105| |3.752678|5.277559|7.306968|13.764938|36.858105| |3.147435|4.181456|5.009653|7.981453|13.727878|36.858105| |3.172153|4.171502|4.519956|6.809836|7.803569|13.547732|36.858105| |3.854408|5.272898|5.229796|7.744921|6.743254|7.914585|13.884893|36.858105| |5.230218|8.489808|8.277539|13.544229|7.937774|6.981413|8.036251|13.648140|36.858105| |7.693648|13.772349|8.515142|8.580833|5.413223|4.687399|5.177848|7.630259|14.052674|53.358707| |7.035584|9.018399|5.977457|5.984352|4.302372|3.966218|4.563459|6.693493|9.092874|26.075816|0.500000| |2.575702|3.226890|3.804616|5.179255|7.913710|13.273463|7.698944|5.114993|4.577033|4.720802|0.084878|36.858105| |2.252632|2.731935|3.175202|4.021827|5.597960|7.405599|5.383384|3.940504|3.597421|3.917272|0.071802|16.721979|53.358707| |5.831360|7.428796|12.640523|7.208329|5.741058|4.064944|3.522521|3.774438|5.058708|7.000630|0.114826|3.381298|4.011984|36.858105| |4.336498|5.169506|7.370712|5.743991|5.320130|3.886249|3.277323|3.354604|4.192395|5.532505|0.094465|3.406962|4.146661|12.337640|36.858105| |3.376366|4.028244|5.540616|5.140210|5.579016|4.108744|3.281286|3.173663|3.750469|4.675974|0.081166|3.830126|4.780441|7.643276|13.041243|53.358707| |2.831498|3.305092|4.226496|4.207463|4.795108|3.849090|3.081947|2.899173|3.265382|4.027186|0.071558|3.823129|4.978187|5.084172|7.737887|19.149132|36.858105| |2.779013|3.209822|3.955899|3.957000|4.369983|3.652063|3.015236|2.860080|3.188376|3.966259|0.071189|3.604531|4.695634|4.498580|6.797173|11.532577|15.848970|73.516695| |2.366985|2.708637|3.334507|3.410811|3.995375|3.425056|2.755154|2.534463|2.753534|3.387362|0.061299|3.637487|5.022352|3.879107|5.003588|10.642998|12.499425|14.216903|36.858105| |2.387179|2.736372|3.394826|3.463555|4.079844|3.459889|2.765437|2.543224|2.772938|3.408255|0.061526|3.666297|5.042115|4.006180|4.845763|10.451057|8.883467|10.456880|17.576018|0.500000| |2.119631|2.340913|2.777358|2.748723|3.054976|2.690830|2.264707|2.127291|2.302113|2.915664|0.053659|2.819099|3.915017|3.254067|4.136258|7.557018|7.595039|11.187752|12.329216|0.247147|36.858105| |1.849119|2.034715|2.365141|2.396127|2.692288|2.466485|2.096509|1.944620|2.055542|2.589497|0.048168|2.666479|3.825426|2.666236|3.202404|5.543132|5.186721|8.254257|8.033032|0.187541|13.141913|53.358707| |1.843117|2.057624|2.391089|2.497525|2.880092|2.706408|2.278249|2.071639|2.153082|2.665947|0.049575|3.025651|4.466483|2.609506|3.120867|5.373857|5.217047|8.732123|7.776624|0.170729|8.269412|17.875142|36.858105| |2.101749|2.411576|2.885856|3.097112|3.748202|3.461892|2.782486|2.479026|2.588286|3.127244|0.057260|3.962063|5.861430|3.135206|3.790322|7.005659|7.187358|10.996900|12.090247|0.244261|7.728142|10.803202|12.211721|36.858105| |2.160501|2.513264|2.981021|3.314178|4.085121|3.931059|3.145758|2.746104|2.810205|3.333192|0.061064|4.617870|6.893316|3.089012|3.729392|6.414347|6.466047|11.759518|7.225077|0.157325|5.268884|7.014395|7.438999|12.367017|36.858105| |1.895466|2.180601|2.507495|2.818785|3.428329|3.542440|2.945034|2.528991|2.495582|2.961906|0.055185|4.386056|7.114469|2.529007|2.900142|4.708615|4.267346|7.766658|4.783647|0.115713|3.942417|5.733996|6.076473|7.474707|12.488380|36.858105| |1.839092|2.123760|2.440399|2.785290|3.459055|3.693544|3.038116|2.550109|2.476844|2.910585|0.054290|4.901187|8.858042|2.441541|2.695585|4.397962|3.750539|6.414720|4.330596|0.113655|3.517701|5.186550|5.106095|6.427120|7.674878|12.707158|53.358707| |1.695216|1.938792|2.189383|2.485381|3.012518|3.275750|2.797850|2.360612|2.262148|2.679586|0.050510|4.264521|7.605407|2.172944|2.366327|3.758072|3.139462|5.456510|3.547627|0.094075|3.023299|4.509433|4.296372|4.901837|5.672972|9.201521|25.710025|0.500000| |1.964167|2.303671|2.662489|3.131310|4.029398|4.492659|3.583195|2.906972|2.779641|3.196124|0.059283|6.542120|13.567755|2.609200|2.831752|4.595130|3.800170|6.437682|4.191940|0.112621|3.301519|4.653850|4.327811|5.725806|7.009523|9.183497|25.392829|0.327085|0.500000| |1.795204|2.053694|2.376304|2.645334|3.241988|3.305289|2.715499|2.334331|2.318115|2.764508|0.051479|4.171181|7.051334|2.447474|2.694759|4.525719|3.826598|6.211877|4.850948|0.134092|3.963152|6.162437|5.980345|7.379180|6.480813|7.631188|17.328140|0.256165|0.255346|36.858105| |2.009403|2.315490|2.755832|3.024811|3.752825|3.585890|2.851781|2.487944|2.550398|3.045936|0.055928|4.328056|6.767632|2.934750|3.314220|5.966128|5.187560|7.782441|7.545010|0.218361|5.381730|7.987748|7.437426|12.316021|7.624275|6.539759|10.460012|0.157785|0.193524|12.488191|36.858105| |1.721254|1.877862|2.162240|2.183061|2.435001|2.249179|1.930820|1.795786|1.890638|2.394637|0.044782|2.431878|3.501416|2.433695|2.806346|4.749967|4.069197|6.378653|5.846990|0.161792|7.828521|18.766904|7.654903|5.726181|3.987298|3.500422|4.623535|0.084150|0.085474|4.226990|5.266077|36.858105| |1.768566|1.918170|2.213327|2.201594|2.427704|2.211362|1.902255|1.785407|1.897879|2.421859|0.045230|2.351175|3.332535|2.535957|2.880269|4.871429|3.953161|6.021027|5.466848|0.165954|7.010718|11.491788|5.475005|4.808916|3.476915|3.027455|4.088304|0.074706|0.077909|3.690533|4.667006|15.896904|73.516695| |1.528262|1.659421|1.879282|1.918336|2.135701|2.025407|1.765078|1.634996|1.694663|2.146343|0.040503|2.217499|3.244596|2.063340|2.323853|3.791814|3.185181|5.200177|4.216236|0.116142|5.019781|10.541636|6.272766|4.591366|3.485091|3.311341|4.471287|0.084345|0.080941|4.115379|4.529942|12.715822|14.410061|36.858105| |1.439624|1.556443|1.744878|1.784859|1.974419|1.893473|1.669170|1.548656|1.594989|2.025515|0.038430|2.072312|3.038131|1.893258|2.140979|3.413153|2.900716|4.928031|3.657793|0.096419|4.356073|8.772799|5.926119|4.116776|3.347244|3.291266|4.289167|0.082781|0.076590|3.735353|3.865940|7.519317|9.534638|13.702764|36.858105| |1.308805|1.408518|1.561737|1.603303|1.764442|1.715306|1.531419|1.421635|1.451528|1.847451|0.035280|1.880002|2.766190|1.673443|1.859642|2.906362|2.414896|4.143319|2.926154|0.078442|3.313064|6.000996|4.320668|3.294099|2.824664|2.890929|3.856916|0.076847|0.069201|3.293235|3.228387|5.015316|7.191570|7.908462|13.768532|36.858105| |1.259714|1.354452|1.497877|1.540511|1.695116|1.655168|1.482143|1.374837|1.399408|1.781096|0.034073|1.817076|2.678897|1.600013|1.749282|2.727405|2.216801|3.751845|2.672508|0.073818|2.932867|5.101505|3.643315|2.969752|2.547116|2.621664|3.639579|0.073179|0.066135|3.168166|3.066462|4.469297|6.836742|6.887824|7.979335|13.761909|36.858105| |1.315638|1.418083|1.577128|1.620396|1.789615|1.737040|1.544822|1.431387|1.462399|1.858211|0.035433|1.907684|2.809540|1.695226|1.840670|2.901632|2.329401|3.857252|2.858300|0.081331|3.101431|5.365733|3.702742|3.121014|2.597313|2.622869|3.735669|0.074013|0.068654|3.375565|3.352766|5.066471|8.076450|7.909761|6.864641|7.899773|13.754400|36.858105| |1.447981|1.568298|1.765015|1.806693|2.007307|1.920139|1.684485|1.559654|1.607917|2.038132|0.038599|2.105996|3.089824|1.923653|2.111034|3.402752|2.753881|4.464025|3.523658|0.101770|3.905225|7.077509|4.566538|3.786061|2.981881|2.906095|4.114374|0.079085|0.075678|3.843218|4.071677|7.691855|11.950925|13.702835|7.938913|6.866611|7.981614|13.780896|36.858105| |1.133633|1.212306|1.325814|1.365423|1.490864|1.471092|1.335897|1.243033|1.256330|1.605033|0.030912|1.608984|2.366955|1.400765|1.512705|2.314561|1.854804|3.175645|2.162001|0.059776|2.320054|3.821392|2.794789|2.383257|2.130147|2.232285|3.118136|0.064156|0.057394|2.614791|2.471232|3.176239|5.088306|4.232312|4.781526|7.056723|10.977466|7.053038|4.781790|448.794386| |17.545522|8.912165|5.801677|4.458973|3.386993|2.923026|2.997587|3.649509|4.740619|9.293393|0.189563|2.414272|2.888950|4.784788|3.611888|4.029193|2.509664|4.336767|2.155712|0.061042|1.940830|2.333669|1.706454|1.934165|1.974523|1.756734|2.348271|0.044446|0.051217|1.692240|1.878477|1.614410|2.960362|1.443973|1.358346|1.242262|1.202955|1.259238|1.379864|8.733593|0.500000| |17.545954|8.914437|5.772270|4.453378|3.384255|2.928127|3.008441|3.666696|4.757119|9.367298|0.192544|2.422942|2.903654|4.735709|3.887562|4.163506|2.650922|4.744831|2.217505|0.061244|2.007489|2.397902|1.766012|1.994190|2.076920|1.835350|2.401111|0.045408|0.052128|1.706058|1.889652|1.632225|2.958255|1.458550|1.386034|1.263983|1.212394|1.258014|1.377565|8.793454|0.301426|0.500000| |17.638723|8.886172|6.806091|4.590206|3.525578|2.914740|2.847486|3.311705|4.342020|7.662433|0.141057|2.444077|2.947952|6.524437|4.778210|4.893374|2.963454|5.128729|2.463593|0.069162|2.233443|2.620202|1.891697|2.143170|2.167967|1.883546|2.476672|0.046448|0.053527|1.796071|2.032348|1.793638|3.301354|1.579640|1.483090|1.342408|1.290098|1.349924|1.492598|9.284088|0.302122|0.302191|0.500000| |3.438926|4.572534|6.479661|8.900142|17.772070|8.903574|5.587227|4.888688|5.632530|5.946446|0.099507|7.310261|7.774860|6.069616|6.100920|10.047125|6.150802|9.191547|5.075694|0.146993|3.639840|4.275793|3.350100|4.578363|4.792839|3.806306|5.225150|0.090271|0.122981|3.711731|4.572723|2.813297|4.998437|2.413447|2.199294|1.937836|1.856215|1.974446|2.250101|12.925005|0.086151|0.085977|0.093321|0.500000| |2.723924|3.410604|3.603130|4.921267|5.595860|8.854665|17.739139|8.963206|5.679801|5.639782|0.106722|7.062354|7.291766|2.942688|2.791499|3.851323|2.724482|4.778355|2.501706|0.069562|2.088340|2.679482|2.155872|2.590137|2.944402|2.868109|4.089724|0.078608|0.098751|2.644315|2.686789|1.823989|3.176436|1.691393|1.610125|1.490650|1.447265|1.502372|1.622864|10.554905|0.072507|0.072810|0.068533|0.123544|0.500000| |3.599952|4.596223|4.274441|5.549155|4.885490|5.622786|8.934179|17.732524|8.822542|9.150340|0.188817|4.139063|4.575338|3.215689|2.879363|3.687020|2.506294|4.439497|2.221542|0.061789|1.904123|2.390643|1.865143|2.186389|2.411601|2.263128|3.104001|0.059539|0.071317|2.090106|2.194319|1.631916|2.883778|1.499642|1.429001|1.321512|1.280666|1.328363|1.436275|9.369377|0.097175|0.097774|0.085125|0.106450|0.214914|0.500000| |4.811530|5.896965|8.922006|6.412980|5.625994|4.019569|3.414751|3.555394|4.567497|6.090200|0.102268|3.424623|4.100755|17.502639|8.812901|10.274054|4.923578|7.329441|4.012199|0.121446|3.325950|3.734507|2.653215|3.208378|3.053065|2.517399|3.386685|0.061362|0.073985|2.552416|3.105644|2.555599|4.820324|2.154114|1.946089|1.718903|1.657937|1.777192|2.030193|11.609136|0.118550|0.109079|0.146678|0.174049|0.079981|0.084315|0.500000| |6.727284|7.133692|9.002864|5.461759|4.388834|3.351851|3.030888|3.309995|4.334427|6.474846|0.110713|2.846829|3.438872|17.606360|8.901046|7.862796|4.206918|6.857514|3.335878|0.095156|2.944046|3.311912|2.349134|2.729114|2.676707|2.235455|2.931238|0.053901|0.063227|2.166093|2.553850|2.245587|4.187583|1.918149|1.769678|1.573119|1.506027|1.591372|1.794873|10.648358|0.150010|0.147174|0.243160|0.125420|0.071909|0.081025|0.306663|0.500000| |4.049114|4.414772|5.601486|4.400896|4.083747|3.182375|2.769571|2.851712|3.470520|4.752162|0.083851|2.866405|3.572092|8.806204|17.553413|12.441902|6.590605|10.802403|4.586701|0.122467|4.141123|4.302431|2.983698|3.452003|3.322630|2.630988|3.310399|0.059970|0.069731|2.458833|2.992825|2.784684|5.133927|2.295977|2.123265|1.841370|1.726168|1.811352|2.077050|11.985896|0.094515|0.102692|0.129692|0.126774|0.067039|0.069821|0.193882|0.234064|0.500000| |4.345983|5.292904|7.189218|6.005664|5.498277|4.097115|3.496612|3.598808|4.490363|5.864487|0.100040|3.544010|4.274400|8.736961|17.670177|12.577658|7.336190|13.624571|4.650228|0.119185|3.861397|4.169384|3.086600|3.744128|3.924392|3.041011|3.752408|0.067374|0.080718|2.671193|3.205346|2.640490|4.701711|2.225398|2.087368|1.822043|1.702556|1.771010|2.010618|11.887567|0.098661|0.113034|0.127639|0.165640|0.082379|0.085553|0.176143|0.192104|0.303765|0.500000| |3.199336|3.743042|5.035403|4.651193|5.059109|3.817338|3.070541|2.963306|3.464946|4.355336|0.076292|3.618517|4.579628|7.084784|9.069231|26.027600|9.461569|10.925677|7.550890|0.246196|5.522105|5.594238|3.834840|4.905229|4.211122|3.214429|4.237105|0.074276|0.090070|3.326605|4.468650|3.679709|6.982628|2.895149|2.543598|2.165239|2.056939|2.224025|2.637877|13.949712|0.079787|0.079372|0.095373|0.185522|0.074266|0.070837|0.228944|0.154417|0.208165|0.180262|0.500000| |2.126793|2.315550|2.735610|2.642145|2.871506|2.506077|2.132548|2.029748|2.216950|2.847902|0.052515|2.578851|3.539533|3.290005|4.095648|7.282592|6.352286|9.213237|8.647054|0.223258|17.700335|12.392027|5.856082|5.638530|4.137627|3.260825|4.111905|0.073449|0.080112|3.425795|4.531887|7.503622|14.416950|4.748012|3.997462|3.107635|2.816546|3.035849|3.848824|18.001622|0.054343|0.055576|0.063023|0.094266|0.054518|0.050681|0.095098|0.084225|0.118130|0.102265|0.157918|0.500000| |2.128506|2.331926|2.735749|2.684037|2.928009|2.588861|2.209781|2.094955|2.271115|2.901304|0.053596|2.676730|3.684704|3.182338|4.161143|7.113777|7.398052|12.748550|8.789649|0.175859|17.588427|12.546866|7.189015|6.467469|5.128259|3.835357|4.460619|0.079291|0.085561|3.505123|4.448422|5.873589|9.293293|4.269632|4.002412|3.110145|2.705739|2.775577|3.356057|17.544486|0.053713|0.056657|0.062401|0.094724|0.056652|0.052338|0.087456|0.080987|0.118708|0.111823|0.135397|0.300137|0.500000| |1.693663|1.883429|2.161495|2.276818|2.625435|2.528801|2.152962|1.946040|1.994251|2.467340|0.046205|2.876532|4.345855|2.321755|2.690080|4.505037|4.107518|6.918822|5.672088|0.138739|5.851608|12.367086|17.672455|8.565055|6.140762|5.992232|7.367704|0.131110|0.121730|6.777643|7.165885|7.229705|9.075323|7.245539|7.145474|5.205389|4.327095|4.326127|5.251949|25.867399|0.043936|0.045145|0.048024|0.083367|0.057370|0.049025|0.066008|0.058464|0.071419|0.073946|0.090842|0.129269|0.143960|0.500000| |1.820331|2.021114|2.325067|2.418385|2.746906|2.594931|2.216933|2.030358|2.107306|2.624621|0.049014|2.862106|4.177178|2.516749|3.048040|5.056258|4.978304|9.121495|6.405914|0.137691|7.131268|12.513636|17.555011|8.739109|7.341717|6.081307|6.318023|0.111715|0.110327|4.875619|5.536962|5.796575|7.871461|5.076384|5.327529|4.040095|3.320971|3.245177|3.807942|21.112842|0.046594|0.048930|0.051843|0.086984|0.058430|0.051046|0.069636|0.063441|0.081752|0.085880|0.097134|0.143324|0.206480|0.302814|0.500000| |2.162832|2.485519|2.912974|3.157729|3.719845|3.528392|2.923531|2.620951|2.709358|3.273358|0.060269|3.916936|5.601948|3.036429|3.775835|6.223108|6.499033|13.817135|6.512350|0.136968|5.299666|6.813419|6.909087|8.759095|17.642194|8.951241|7.613445|0.126933|0.143651|4.853121|5.516009|3.762374|5.826871|3.288372|3.257814|2.745472|2.431886|2.436842|2.771725|16.442233|0.054474|0.058411|0.060558|0.117710|0.075921|0.064559|0.081371|0.074115|0.095415|0.113767|0.110227|0.114461|0.156931|0.153237|0.223079|0.500000| |2.401010|2.869887|3.476833|4.028542|5.260270|5.036648|3.817254|3.253166|3.331396|3.837376|0.069302|5.994325|8.570330|3.509370|4.203463|7.237699|6.921466|12.298946|6.694407|0.155426|4.627748|5.813765|5.446383|8.778499|17.582847|8.939108|9.466086|0.145020|0.207226|5.715427|6.828403|3.475154|5.628711|3.026692|2.862514|2.464935|2.271351|2.343351|2.672999|15.503616|0.060596|0.063768|0.066253|0.174844|0.097029|0.077535|0.095650|0.082353|0.099689|0.125149|0.128282|0.105986|0.124509|0.130054|0.146487|0.306147|0.500000| |1.739038|1.967472|2.235351|2.454872|2.894769|2.951669|2.523526|2.214291|2.196643|2.656254|0.049901|3.521306|5.564223|2.282711|2.618076|4.201534|3.799905|6.966020|4.382059|0.105879|3.903941|6.028472|6.682858|6.697685|8.722534|17.607608|12.420951|0.224695|0.180393|6.949610|5.761766|3.673535|5.483473|3.613242|3.746146|3.296563|2.913655|2.839910|3.107864|19.775229|0.044933|0.046948|0.048289|0.088664|0.068646|0.055785|0.063215|0.056910|0.067471|0.075634|0.080691|0.089486|0.106607|0.198588|0.195483|0.211356|0.173365|0.500000| |1.895556|2.185198|2.478667|2.821369|3.400278|3.632259|3.093572|2.636456|2.553325|3.015362|0.056503|4.483316|7.177796|2.441211|2.769007|4.330409|3.814193|7.198560|3.978736|0.097640|3.348982|4.717451|4.627457|5.459291|8.799896|17.628503|12.407512|0.223448|0.224766|5.600982|4.906329|2.937294|4.620322|2.799484|2.817472|2.534382|2.314718|2.297935|2.499274|16.227432|0.048763|0.051432|0.051845|0.100988|0.085002|0.065933|0.066581|0.060185|0.069613|0.082375|0.081157|0.078845|0.092890|0.125914|0.134266|0.213388|0.217076|0.301501|0.500000| |1.656098|1.867461|2.134273|2.331046|2.772281|2.804778|2.370656|2.075987|2.067615|2.504761|0.047001|3.403681|5.536290|2.214688|2.452016|4.048780|3.452304|5.728133|4.398377|0.118898|3.892977|6.478780|6.460826|6.544208|5.642093|6.901462|12.435919|0.226454|0.180650|17.625336|8.731178|4.529586|6.739433|4.744915|4.434815|3.937243|3.744799|3.907019|4.374945|24.272747|0.043426|0.043966|0.046226|0.086827|0.064477|0.052252|0.063767|0.055237|0.063343|0.067616|0.082649|0.093367|0.096546|0.236013|0.145798|0.126058|0.131483|0.206473|0.142628|0.500000| |1.742460|1.991410|2.287259|2.560155|3.130019|3.252660|2.699477|2.307923|2.268262|2.700846|0.050487|4.145669|7.117501|2.332774|2.497025|4.120479|3.329982|5.374146|4.065274|0.117783|3.381102|5.130924|4.560781|5.422979|4.898680|5.598440|12.407447|0.222343|0.226035|17.627159|8.796901|3.704139|5.991074|3.675188|3.299202|3.007932|3.004472|3.267091|3.636568|20.392704|0.046039|0.045832|0.048231|0.097909|0.073831|0.057655|0.068347|0.057569|0.063287|0.068222|0.085637|0.084274|0.083279|0.141310|0.106634|0.107556|0.129355|0.142700|0.126944|0.301834|0.500000| |2.193984|2.578091|3.127296|3.524004|4.580465|4.329994|3.296674|2.827015|2.905036|3.401509|0.061777|5.344988|8.249514|3.292986|3.628524|6.636598|5.399595|7.842942|7.045169|0.222714|4.743546|6.400914|5.460524|8.809723|6.824096|5.694817|9.364115|0.143788|0.202947|8.929280|17.540269|4.307882|7.251909|3.694015|3.191429|2.737491|2.641791|2.895260|3.439716|17.584255|0.057003|0.056738|0.061268|0.161712|0.084949|0.068127|0.098458|0.077899|0.088366|0.096552|0.139917|0.115814|0.111296|0.142207|0.123408|0.139666|0.199964|0.132378|0.127912|0.173453|0.218681|0.500000| |1.915255|2.174106|2.566982|2.746082|3.295621|3.108016|2.535106|2.256094|2.331477|2.833125|0.052289|3.606452|5.469511|2.786857|3.105017|5.539237|4.624952|6.852804|6.910129|0.223292|5.506793|8.638596|6.947946|8.736958|5.516176|4.902195|7.629291|0.127296|0.142658|8.984715|17.564262|6.438949|10.352515|5.414488|4.260940|3.509021|3.411544|3.904095|5.010501|21.474787|0.050071|0.049850|0.054254|0.110081|0.066469|0.055797|0.083324|0.068371|0.079652|0.081551|0.120555|0.135318|0.120882|0.194624|0.139874|0.122925|0.139270|0.129152|0.107960|0.214462|0.212301|0.304292|0.500000| |1.477360|1.595767|1.788997|1.823778|2.009654|1.919318|1.693359|1.576165|1.628376|2.072017|0.039293|2.087564|3.040803|1.944416|2.233632|3.544629|3.078658|5.352730|3.829460|0.097076|4.741113|9.605979|6.583064|4.298115|3.565740|3.447463|4.288039|0.082197|0.076550|3.587170|3.765968|6.911190|8.792241|8.894457|17.734028|8.958875|5.671994|4.949419|5.643159|31.689483|0.038511|0.039682|0.042334|0.062119|0.045253|0.040382|0.054914|0.050530|0.061865|0.061037|0.072178|0.117060|0.126860|0.205274|0.179624|0.099675|0.083319|0.110596|0.082293|0.116018|0.086329|0.086863|0.110671|0.500000| |1.252268|1.343072|1.479397|1.518638|1.662000|1.624005|1.461836|1.360630|1.384859|1.767423|0.033877|1.773737|2.603375|1.575374|1.750404|2.698822|2.242444|3.915883|2.646803|0.070109|2.978697|5.192865|3.846208|2.976815|2.648520|2.747460|3.602676|0.072723|0.064793|2.963923|2.865600|4.078849|6.006037|5.629051|8.899947|17.752106|8.923425|5.635338|4.951742|53.933047|0.033010|0.033763|0.035614|0.050272|0.039670|0.035285|0.044612|0.041293|0.048253|0.048040|0.055312|0.077313|0.079928|0.125488|0.104849|0.072729|0.064327|0.087924|0.068079|0.097418|0.075265|0.068486|0.084091|0.215408|0.500000| |1.263063|1.358082|1.503039|1.545029|1.700315|1.657767|1.483276|1.376352|1.402100|1.784606|0.034125|1.816443|2.670010|1.608076|1.722907|2.692620|2.125173|3.513365|2.560114|0.073861|2.717453|4.500104|3.135256|2.760090|2.338796|2.372691|3.435670|0.068681|0.064061|3.075267|3.025420|4.127108|6.957040|5.629418|4.950502|5.635667|8.921597|17.752749|8.903046|53.902876|0.033753|0.033508|0.035940|0.051779|0.040199|0.035598|0.047020|0.042060|0.047035|0.045957|0.057612|0.074806|0.067877|0.099405|0.077153|0.060786|0.059604|0.070316|0.058471|0.096503|0.085245|0.074423|0.097358|0.107514|0.124188|0.500000| 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