Version2.4 2021-05-19T06:49:01Z 10.1021/jm300687e Gaussian16 RevisionC.01 RPOIRIER 20-Apr-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC[C@H](COC)NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3cccn3C C39638074 RHF 6-31G(d) (6D,7F) CC[C@H](COC)NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3cccn3C C01[X(C20H33N4O3)] 174 C1 471 COC[C@H](NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cccn1C)CC COC[C@H](NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cccn1C)CC CC[C@H](COC)NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3cccn3C InChIKey=NLZMHKPDRIXWBY-HZPDHXFCSA-O InChI=1S/C20H32N4O3/c1-4-15(13-27-3)22-18(25)16-12-24(14-20(16)7-9-21-10-8-20)19(26)17-6-5-11-23(17)2/h5-6,11,15-16,21H,4,7-10,12-14H2,1-3H3,(H,22,25)/p+1/t15-,16-/m1/s1 InChI=1/C20H32N4O3/c1-4-15(13-27-3)22-18(25)16-12-24(14-20(16)7-9-21-10-8-20)19(26)17-6-5-11-23(17)2/h5-6,11,15-16,21H,4,7-10,12-14H2,1-3H3,(H,22,25)/p+1/t15-,16-/m1/s1/fC20H33N4O3/h21-22H/q+1 CC[C@H](COC)NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3cccn3C C01[X(C20H33N4O3)] 174 C01 471 COC[C@H](NC(=O)[C@H]1CN(CC21CC[NH2+]CC2)C(=O)c1cccn1C)CC COC[C@H]([NH][C](=O)[C@H]1CN(CC21CC[NH2]CC2)C(=O)[C]1[CH][CH][CH][N]1C)CC CC[C@H](COC)NC(=O)[C@H]1CN(CC12CC[NH2]CC2)C(=O)[C]3[CH][CH][CH]N3C InChIKey=XDGJIFVAZNTTKQ-HZPDHXFCSA-N InChI=1S/C20H33N4O3/c1-4-15(13-27-3)22-18(25)16-12-24(14-20(16)7-9-21-10-8-20)19(26)17-6-5-11-23(17)2/h5-6,11,15-16H,4,7-10,12-14,21H2,1-3H3,(H,22,25)/t15-,16-/m1/s1 InChI=1/C20H33N4O3/c1-4-15(13-27-3)22-18(25)16-12-24(14-20(16)7-9-21-10-8-20)19(26)17-6-5-11-23(17)2/h5-6,11,15-16H,4,7-10,12-14,21H2,1-3H3,(H,22,25)/t15-,16-/m1/s1/f/h22H 2690.1111675032 -1218.7722159 1-A 12849.0954 102 369 471 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.64414 -20.61987 -20.61581 -15.85464 -15.69790 -15.67680 -15.67540 -11.44676 -11.44376 -11.44250 -11.43733 -11.37621 -11.37221 -11.37062 -11.36790 -11.35876 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0.0686 0.0903 0.1472 0.1475 0.1925 0.2076 0.3032 0.2186 0.2608 0.2289 0.2680 0.6072 0.2985 0.3943 0.4660 0.3911 0.5181 0.4520 0.2935 1.0512 0.7823 0.6926 1.4375 1.2449 1.6034 1.4968 1.7290 1.1483 1.3323 0.7728 0.5977 1.4494 0.7567 1.3406 1.1282 0.7819 1.3398 2.9565 0.7975 1.5648 1.4645 1.5118 1.2416 1.1200 1.3022 1.2415 1.3033 1.3569 1.6860 1.2447 1.5674 1.9278 1.2872 1.5854 1.4714 1.5203 1.7640 1.8018 1.1991 1.1764 2.1900 1.2069 1.8790 1.8951 2.0832 1.9267 1.3829 2.8015 2.6190 1.5521 1.6503 2.0587 2.1714 1.6384 1.5498 1.3042 1.9346 1.5158 1.5387 1.5640 1.7814 2.2844 1.9105 1.7601 1.8977 2.4734 2.8179 2.1874 1.9704 2.0614 1.9086 4.1346 2.4755 2.1537 2.6775 2.2803 2.2169 2.0459 2.2558 1.7161 1.6492 1.6882 1.8481 1.7239 1.6717 1.6861 1.7180 2.1747 1.7972 1.7732 1.7155 2.7023 1.7837 1.8322 1.8294 3.6168 7.0394 2.1183 22.4545 18.0078 6.2787 6.4596 6.2852 6.4687 6.3151 6.5009 6.7640 6.7295 6.8425 6.8799 6.4429 6.6893 6.7375 6.9422 6.9769 6.7312 6.7800 6.9855 7.0647 7.1420 7.1307 7.2237 7.2235 7.3028 7.3088 7.3460 7.3470 7.5759 7.6718 7.7953 8.3795 9.0031 9.5454 2.4398 1.1445 0.1110 5.7572 1.6945 3.9580 13.7441 0.7349 2.2957 7.6144 4.1968 2.6772 2.6815 6.2368 1.4339 0.4405 9.6673 9.7259 0.9298 2.0259 2.3836 7.2864 0.2400 7.7575 6.2535 13.3573 0.4851 5.6978 13.1726 4.0422 0.7023 3.9963 3.9990 1.3900 9.3218 4.9681 3.2083 6.4696 9.7192 74.7158 13.2196 9.2961 20.4003 5.1621 10.5161 36.3842 7.6022 5.4514 2.3966 52.6851 8.4551 44.7480 9.8581 4.7535 2.6445 8.6204 16.2421 8.5464 3.8478 2.1953 8.3519 16.4017 3.5104 4.6662 4.5175 12.9812 8.5938 3.7022 43.9684 14.0744 1.9291 34.5878 16.9950 8.4316 18.9247 86.9076 0.4887 22.4158 51.4591 18.5932 2.9680 98.5429 0.9948 30.3901 40.3037 85.9484 11.9653 2.4848 2.0205 4.4208 120.2109 31.8221 91.7822 27.8992 4.3686 31.7018 36.5425 50.0158 21.1062 29.0363 5.6891 0.8045 62.1706 118.0443 0.4174 9.5629 17.2748 80.4562 14.7327 1.6676 1.2034 34.9643 130.3733 176.5164 12.0409 205.3317 217.0299 63.9295 61.7816 20.7526 4.2299 9.8193 6.6270 2.3959 18.8698 3.7964 0.1903 24.0644 38.2865 5.1690 6.5815 10.2346 7.3736 16.6767 33.9088 2.3546 503.5851 39.0694 100.1615 414.1177 250.5755 26.1027 7.8829 69.6542 44.2981 35.5870 5.8658 69.1648 26.9529 2.2481 67.1162 38.6032 21.2604 13.0687 86.9295 37.5139 8.5394 6.3636 16.3533 4.6516 34.9907 3.1904 26.7614 10.0395 6.4943 11.5471 4.3446 7.5020 2.8448 5.0117 1.8693 71.0769 73.3050 57.3951 0.7576 0.8888 2.1995 1.0708 0.3782 1.0948 0.8707 0.2011 0.3142 0.0979 0.2726 0.5653 0.2655 0.2974 0.3498 0.5025 2.4889 1.7989 0.9403 1.9969 1.2495 0.3556 0.6347 0.4172 0.5500 0.4517 0.7443 0.3744 0.3321 1.0334 1.1766 1.2213 2.7498 1.2039 1.7073 0.7343 0.4480 0.4676 1.5171 0.7235 3.4811 1.6667 2.6781 1.2863 1.1207 10.1359 7.1240 14.1362 4.0140 3.0118 1.4737 0.6155 0.6935 2.3449 2.5722 7.8281 1.0142 2.8456 9.4264 0.8174 10.9629 7.7661 3.4498 3.0132 2.2810 7.7284 1.9916 5.6543 2.2542 7.8374 3.7273 8.5899 3.5134 5.0839 7.7142 28.1415 5.2451 3.5942 5.8761 9.2485 4.3522 4.1494 2.4127 2.5975 9.2874 6.5829 5.6163 5.1507 8.7106 2.4578 2.7433 3.1000 1.1001 8.3379 4.5973 8.4275 10.6536 6.3815 10.7129 3.7485 7.5865 11.2808 14.2158 9.3352 0.7925 1.0001 37.7518 50.9857 10.9319 2.4075 3.2119 6.1793 50.7303 42.8939 19.8813 106.8395 38.8560 10.9772 0.7967 5.2474 12.3862 17.2789 28.2534 11.9851 10.7861 12.7279 13.5175 9.5702 5.4613 6.1089 5.5529 7.9931 14.4065 10.7740 11.2500 10.8731 2.8607 9.0764 5.6302 120.5633 7.2017 7.4697 10.9027 133.7152 50.2710 137.9522 118.8051 95.1422 39.9453 114.2373 70.9201 105.4116 26.5038 75.9898 45.9496 56.3353 99.7932 98.4178 28.9383 63.5438 78.1631 53.2936 59.0371 37.6136 53.1383 56.5550 24.6336 52.6614 79.1067 24.4477 172.4991 74.0481 56.0823 26.0636 0.7441 0.7499 0.7480 0.7106 0.7431 0.7422 0.5048 0.6538 0.7349 0.7491 0.6793 0.7101 0.6167 0.5047 0.7317 0.4193 0.7095 0.4540 0.7248 0.7479 0.4095 0.4685 0.0460 0.2619 0.5640 0.7439 0.1749 0.2312 0.2127 0.1854 0.3192 0.1835 0.3960 0.4062 0.7373 0.1263 0.6398 0.7427 0.1268 0.2247 0.2663 0.4316 0.1723 0.5942 0.4320 0.1954 0.1073 0.1114 0.0953 0.1718 0.2060 0.5858 0.6507 0.6716 0.3219 0.1653 0.3744 0.2462 0.4469 0.7482 0.2144 0.3686 0.6710 0.7396 0.7232 0.7382 0.7469 0.6039 0.3103 0.7367 0.7146 0.3272 0.4263 0.2944 0.6643 0.5224 0.6916 0.5972 0.4507 0.3995 0.7305 0.1293 0.7294 0.7500 0.5568 0.6819 0.7365 0.7010 0.5707 0.5102 0.4118 0.4310 0.7240 0.0845 0.6381 0.7361 0.7455 0.5830 0.7161 0.5674 0.7107 0.7499 0.2569 0.3395 0.7177 0.6529 0.4275 0.4290 0.5036 0.5647 0.7428 0.4748 0.5057 0.3034 0.5274 0.4894 0.3664 0.2634 0.7396 0.2832 0.6583 0.7201 0.7465 0.6562 0.7498 0.7268 0.7315 0.7498 0.3212 0.6702 0.3774 0.7484 0.5897 0.7453 0.4974 0.7366 0.7437 0.4219 0.7227 0.2276 0.3118 0.5260 0.3848 0.0376 0.4224 0.0572 0.0897 0.4322 0.2702 0.7336 0.6825 0.0114 0.1665 0.0978 0.6766 0.4656 0.1502 0.1805 0.1691 0.2950 0.5590 0.2807 0.7136 0.5121 0.7022 0.7349 0.6538 0.4976 0.7484 0.7477 0.1220 0.1212 0.6477 0.1505 0.8533 0.8571 0.8558 0.8308 0.8526 0.8520 0.6709 0.7907 0.8472 0.8565 0.8090 0.8305 0.7629 0.6708 0.8451 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0.2893 0.4556 0.7172 0.4384 0.8329 0.6774 0.8251 0.8472 0.7907 0.6645 0.8561 0.8557 0.2175 0.2161 0.7862 0.2616 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 6 6 6 1 6 8 6 7 6 8 6 1 6 7 6 6 6 6 7 1 1 6 6 6 8 6 6 6 6 7 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 12.00000 12.00000 12.00000 1.00783 12.00000 15.99491 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 14.00307 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 7877.8218 15516.4945 21469.2805 0.99992 0.01190 0.00368 -0.01190 0.99993 -0.00002 -0.00368 -0.00002 0.99999 1 0.01099 0.00558 0.00403 0.22909 0.11631 0.08406 18.50 35.87 41.68 66.24 72.62 88.48 102.61 112.71 141.24 163.56 169.31 180.94 202.84 230.47 235.80 250.11 266.52 297.64 317.94 345.77 356.26 363.92 381.96 405.92 423.81 450.23 492.69 501.50 526.99 537.30 563.84 619.85 656.08 667.16 696.45 715.92 734.68 764.17 823.11 904.97 952.09 965.48 978.06 994.61 1019.45 1092.85 1121.59 1183.18 1196.00 1219.66 1221.41 1225.00 1233.21 1258.21 1271.88 1308.87 1345.94 1374.76 1394.41 1400.56 1409.36 1447.95 1469.83 1475.04 1480.11 1508.48 1519.52 1552.47 1567.51 1579.24 1583.85 1622.84 1631.61 1635.58 1644.07 1654.88 1672.81 1707.30 1741.07 1749.49 1771.53 1809.20 1811.10 1820.98 1825.66 1849.90 1859.68 1873.34 1899.13 1912.56 1923.23 1948.87 1955.38 1972.39 1991.27 1998.14 2013.51 2031.82 2039.04 2079.72 2084.23 2086.45 2093.43 2107.46 2154.00 2163.30 2170.55 2182.48 2213.25 2219.18 2226.76 2233.41 2240.34 2247.88 2250.28 2251.96 2255.17 2261.30 2276.63 2310.35 2345.47 2348.55 2349.67 2353.48 2361.81 2363.86 2366.42 2366.58 2375.33 2375.78 2380.62 2381.96 2394.32 2399.79 2406.89 2414.14 2473.99 2492.34 2629.16 2689.32 2753.96 4579.31 4598.73 4599.15 4610.00 4613.27 4622.93 4644.07 4664.12 4673.85 4675.60 4682.00 4695.01 4700.99 4703.45 4714.55 4720.64 4730.22 4749.95 4770.39 4773.53 4788.90 4789.05 4794.83 4804.58 4816.07 4826.91 4848.33 4939.61 4956.38 4975.10 5280.39 5372.33 5576.46 0.573299 0.599183 0.600127 0.514670 -1218.198917 -1218.173033 -1218.172089 -1218.257546 2.866242D-04 MUNgauss RevisionA2.1 retrievium 19-May-2021 DUDE CC[C@H](COC)NC(=O)[C@H]1CN(CC12CC[NH2+]CC2)C(=O)c3cccn3C C39638074 RHF 6-31G(d) (6D,10F) C1 377.255266 |X|Y|Z| 63.147123 90.378985 26.325313 53.161618 16 6 7 13 3 |36.858105| |12.473691|36.858105| |7.426017|12.425717|36.858105| |6.854608|8.861504|17.624151|0.500000| |4.869397|7.513949|12.498170|0.248409|36.858105| |4.353937|6.422962|8.045680|0.160957|13.634559|73.516695| |3.340106|4.498211|5.199483|0.118601|8.098419|24.209627|36.858105| |6.264270|7.683646|13.048152|0.257986|7.883653|12.412155|4.706885|53.358707| |5.338925|5.473716|7.697425|0.209061|5.408114|8.478702|3.635427|19.370476|36.858105| |5.216532|5.005680|6.698743|0.219204|4.759978|7.077161|3.164683|11.532592|15.775588|73.516695| |3.999825|4.019111|4.986591|0.131349|4.103043|7.088159|3.230882|10.695506|12.480235|14.229719|36.858105| |3.926209|4.048648|4.831549|0.119779|4.119031|7.627904|3.460691|10.434052|8.879483|10.477245|17.572264|0.500000| |3.143586|3.266389|4.119921|0.112791|3.737502|6.391575|3.084672|7.677278|7.565514|11.042537|12.150685|0.241770|36.858105| |2.754066|2.746006|3.280418|0.092436|2.959418|5.039543|2.496333|5.665000|5.493064|9.223182|7.900778|0.167865|13.048406|53.358707| |3.026088|2.875905|3.338641|0.095625|2.868181|4.819473|2.345768|5.730652|5.864467|10.591108|7.966252|0.161321|8.117738|17.939342|36.858105| |3.603611|3.358564|3.821434|0.104815|3.160267|5.445285|2.574391|7.038957|7.356174|11.506913|12.212847|0.242473|7.705022|11.024339|12.368560|36.858105| |4.192587|3.581234|3.822646|0.106595|3.028934|5.140080|2.411364|6.599590|6.488859|11.382250|7.263798|0.168273|4.975407|6.933939|7.428751|12.386923|36.858105| |3.310464|2.840325|2.942614|0.082729|2.440124|4.181416|2.024652|4.755455|4.295983|7.815621|4.807788|0.119271|3.846336|5.802399|6.089931|7.503305|12.496551|36.858105| |2.855637|2.531124|2.603176|0.071356|2.228081|3.929234|1.931063|4.225842|3.642449|6.259099|4.338069|0.115455|3.578079|5.415024|5.158268|6.455796|7.647311|12.631902|53.358707| |2.536003|2.255253|2.302596|0.063561|1.998718|3.519255|1.751952|3.641534|3.081746|5.398505|3.557597|0.094910|3.075785|4.707724|4.343788|4.925592|5.660237|9.165396|25.691488|0.500000| |2.992674|2.630270|2.643916|0.071309|2.257303|4.034366|1.975432|4.284259|3.571623|5.994936|4.175793|0.116226|3.350445|4.822457|4.362583|5.735117|6.982424|9.211355|25.685412|0.328487|0.500000| |2.638124|2.438918|2.587433|0.070348|2.266044|4.041631|2.003182|4.304385|3.740545|6.217148|4.885079|0.131684|4.223937|6.701728|6.081290|7.438922|6.461367|7.552302|17.178124|0.254414|0.255576|36.858105| |3.034990|2.868933|3.134611|0.083605|2.717999|4.890908|2.376009|5.545761|4.961016|7.662609|7.579773|0.210256|5.896836|8.670889|7.473389|12.326470|7.648038|6.530291|10.485380|0.157904|0.194902|12.526636|36.858105| |2.321668|2.320978|2.690172|0.074968|2.504339|4.363706|2.225625|4.470524|3.990381|6.711132|5.369816|0.130979|7.580357|18.839855|7.840712|5.743034|4.019293|3.673156|5.003682|0.091820|0.090820|4.787134|5.635134|36.858105| |2.173885|2.131941|2.402258|0.066936|2.218527|3.886068|1.988766|3.923930|3.449986|5.899423|4.504861|0.113236|5.411946|11.516305|7.041753|5.344296|3.948928|3.879018|5.526345|0.103764|0.097517|5.558860|5.761670|15.721758|73.516695| |2.103665|2.156435|2.513011|0.069609|2.433385|4.282280|2.243735|4.075125|3.451702|5.759427|4.355731|0.112109|6.313665|10.715012|5.079004|4.190876|3.157781|2.882466|3.946595|0.073824|0.074036|3.599022|4.175317|13.012802|14.427352|36.858105| |2.091105|2.188985|2.601652|0.072542|2.591568|4.510885|2.399621|4.133638|3.426561|5.762001|4.059678|0.104228|6.047970|8.664266|4.321187|3.652663|2.855876|2.558719|3.414679|0.064050|0.065045|2.969284|3.461028|7.424536|9.367438|13.860753|36.858105| |1.836872|1.931129|2.249071|0.062266|2.287396|4.043981|2.211002|3.479914|2.779300|4.682050|3.195562|0.085221|4.281063|5.977833|3.310636|2.924519|2.380619|2.179808|2.957824|0.056298|0.056965|2.543160|2.874808|5.177095|7.452799|8.488575|13.565223|36.858105| |1.734931|1.800701|2.055121|0.056526|2.061955|3.691519|2.011387|3.195085|2.553302|4.285369|3.000452|0.081359|3.843382|5.621862|3.198307|2.855074|2.326987|2.178045|3.030286|0.058140|0.058228|2.656887|2.935010|5.285304|8.136772|8.633680|8.586554|13.921875|36.858105| |1.854390|1.898705|2.162058|0.059440|2.119249|3.788805|2.022600|3.432162|2.810069|4.695689|3.442263|0.092532|4.454850|7.031503|3.875448|3.389120|2.678181|2.522973|3.557956|0.067897|0.067431|3.237095|3.575982|7.642133|11.772934|13.829032|8.567928|8.569255|14.154024|53.358707| |1.743183|1.760180|1.960064|0.053686|1.901237|3.424622|1.825547|3.096006|2.520064|4.223279|3.084660|0.084369|3.688191|5.891741|3.547699|3.190579|2.579669|2.514965|3.673879|0.071287|0.069467|3.408162|3.561752|6.218525|11.834382|7.485149|5.228872|5.264142|7.711723|17.832770|36.858105| |17.561038|8.817380|5.447148|0.140851|4.061436|6.737953|3.034304|6.420832|4.124560|7.189779|3.324377|0.092371|2.688725|3.272875|2.630274|3.092363|3.604017|2.997956|3.596229|0.066178|0.077858|2.414633|2.707596|2.073593|3.495091|1.892296|1.875296|1.669558|1.588931|2.303072|1.606255|0.500000| |17.547836|8.769518|6.643008|0.166266|4.448820|7.416128|3.203256|9.307125|6.124876|10.096508|4.696852|0.129394|3.473151|4.144491|3.420759|4.308529|5.245362|3.942124|4.591529|0.081367|0.099761|3.071382|3.595332|2.544304|4.255899|2.263350|2.212076|1.927549|1.835295|2.704646|1.878783|0.302213|0.500000| |17.553230|8.767157|6.780617|0.204577|4.521860|6.830517|3.037811|7.671861|5.270849|10.161184|3.861736|0.100836|3.114730|3.786800|3.105699|3.567721|4.224393|3.372158|3.835182|0.070089|0.080288|2.584583|2.924945|2.327709|3.876825|2.099026|2.094815|1.831528|1.722053|2.504539|1.724123|0.301439|0.301546|0.500000| |8.832744|17.556878|8.860250|0.174089|6.891744|12.791850|4.942760|9.464786|4.875006|7.536247|3.867704|0.113887|3.140125|3.578406|2.714406|3.221223|3.370638|2.709187|3.385563|0.061537|0.072856|2.417959|2.859169|2.259134|3.702853|2.115141|2.136014|1.902942|1.787443|2.561907|1.754971|0.211643|0.211306|0.172641|0.500000| |8.884709|17.531580|8.937621|0.213423|7.025846|10.238965|4.365983|7.645767|4.354656|7.462332|3.330993|0.092310|2.841783|3.314640|2.530193|2.855311|3.031268|2.492168|3.037456|0.056072|0.064032|2.150301|2.474324|2.089644|3.425748|1.966228|2.015115|1.798674|1.672821|2.376506|1.619192|0.215373|0.173197|0.209872|0.304060|0.500000| |4.588064|6.993565|8.847699|0.210557|17.516703|16.507940|7.279668|7.706337|4.294616|7.144678|3.364728|0.093210|3.111652|3.491058|2.514436|2.725533|2.675038|2.210384|2.747070|0.050855|0.056852|2.029415|2.374743|2.208974|3.524923|2.155633|2.296197|2.059411|1.864480|2.589872|1.720395|0.110756|0.111330|0.120818|0.174730|0.216172|0.500000| |4.048960|5.488235|8.845093|0.220073|17.500138|16.555486|7.215213|9.615525|5.421169|8.651304|4.205276|0.114025|4.099492|4.336965|2.997126|3.190468|2.962175|2.399652|2.982363|0.054738|0.060841|2.264128|2.721773|2.682217|4.150382|2.650556|2.899899|2.539194|2.240803|3.104288|2.009484|0.094814|0.106132|0.109098|0.139794|0.144157|0.300664|0.500000| |3.001579|3.875731|4.713071|0.112981|7.199051|16.448862|17.522993|6.033485|3.579837|5.591245|3.236514|0.094782|3.237549|3.538503|2.388018|2.561629|2.351267|1.982567|2.574392|0.047774|0.053200|1.986076|2.357444|2.327429|3.653079|2.393022|2.619021|2.424307|2.167289|2.926245|1.911482|0.075229|0.080822|0.077839|0.112929|0.104364|0.176483|0.214481|0.500000| |3.085662|3.992026|4.355047|0.100172|5.849439|16.863247|17.630685|5.711535|3.316664|5.089368|3.074063|0.094002|2.917489|3.247899|2.239829|2.483650|2.320239|1.967364|2.596429|0.048138|0.054612|1.988236|2.354327|2.161666|3.461231|2.185978|2.309202|2.153318|1.986243|2.719800|1.820861|0.079362|0.083918|0.077024|0.126881|0.105885|0.147370|0.146919|0.299575|0.500000| |3.224077|4.343336|4.738595|0.111983|7.196251|16.464945|17.537747|5.496820|3.205347|5.133765|2.815603|0.082208|2.687263|3.039549|2.127910|2.311377|2.210077|1.879702|2.428829|0.045307|0.050709|1.829217|2.130272|2.001857|3.212119|2.012423|2.149298|1.995816|1.821877|2.486242|1.660096|0.083038|0.083629|0.082213|0.130369|0.124678|0.216567|0.173684|0.299456|0.299903|0.500000| |5.296410|6.599529|9.105204|0.181541|7.363586|14.339582|5.286606|26.044778|9.406898|10.841828|7.501752|0.242966|5.514829|5.450837|3.907054|4.882332|4.401384|3.272513|4.130154|0.072644|0.086671|3.160112|4.146000|3.262783|5.092561|3.027962|3.057085|2.607031|2.411013|3.516413|2.336792|0.118354|0.163012|0.127709|0.191487|0.138666|0.146828|0.181957|0.135631|0.135876|0.119891|0.500000| |2.853766|3.030570|3.749414|0.099553|3.586950|6.423718|3.190122|6.800561|5.841213|8.455403|8.629896|0.226508|17.663994|12.342190|5.917632|5.963517|4.116515|3.331430|4.423137|0.078600|0.086099|3.914876|5.403785|7.240494|9.201900|7.037295|6.830436|4.892797|4.385718|6.857681|4.043147|0.069010|0.086864|0.077120|0.083169|0.073895|0.083079|0.109504|0.094338|0.085449|0.076009|0.146385|0.500000| |3.186919|3.390777|4.481041|0.127188|4.149271|6.756083|3.267203|7.959433|7.705767|12.158520|8.700517|0.182490|17.612320|12.348517|6.560834|5.904829|4.361759|3.420425|4.216321|0.075462|0.081066|3.485964|4.509328|5.960664|7.905053|5.487902|5.969831|4.241516|3.620015|5.409622|3.249677|0.075109|0.094819|0.089365|0.088501|0.083116|0.095406|0.132933|0.097243|0.083458|0.079419|0.150761|0.302499|0.500000| |2.666763|2.509234|2.825452|0.080829|2.469896|4.190672|2.076320|4.662135|4.443797|8.127662|5.642019|0.127344|5.805847|12.494404|17.708040|8.545139|6.345357|6.299036|7.585838|0.135605|0.124135|6.760560|6.862824|7.614089|14.782949|4.839763|3.966832|3.142150|3.135148|5.265801|3.705216|0.065821|0.083097|0.076135|0.066311|0.062221|0.061238|0.071229|0.058625|0.055541|0.052819|0.089847|0.131515|0.136525|0.500000| |3.205923|3.020084|3.554673|0.105919|2.999536|4.878458|2.361478|5.911946|6.246232|12.972198|6.999192|0.140674|7.041009|12.517151|17.591408|8.860250|7.045659|5.665350|6.044972|0.106930|0.106889|4.731581|5.489200|5.928564|9.408507|4.345111|3.978510|3.083285|2.901609|4.593510|3.052997|0.076520|0.098872|0.094296|0.077187|0.074332|0.073545|0.087610|0.066821|0.061709|0.060082|0.107173|0.141762|0.184312|0.301167|0.500000| |4.639103|3.853343|4.164355|0.121689|3.201408|5.236210|2.441377|6.903901|7.051761|14.527094|6.561169|0.145940|4.762560|6.529580|6.883761|8.777468|17.642943|8.989223|7.605009|0.126927|0.143213|4.850322|5.527750|3.712568|6.343112|2.987896|2.782744|2.315660|2.225342|3.427066|2.386461|0.107897|0.156847|0.137799|0.096740|0.091130|0.079118|0.087156|0.066227|0.064188|0.062762|0.120833|0.107223|0.123682|0.160110|0.214808|0.500000| |4.841531|3.996428|4.061928|0.108969|3.163851|5.484886|2.536229|7.049745|6.303282|10.228803|6.686702|0.174155|4.430249|5.774518|5.445105|8.774141|17.501121|8.891129|9.367089|0.143733|0.204244|5.686816|6.882201|3.476324|6.040707|2.847811|2.610898|2.217823|2.171568|3.355354|2.387338|0.115978|0.181693|0.128502|0.106715|0.091699|0.077521|0.083546|0.067440|0.068382|0.064502|0.133626|0.106571|0.108999|0.132294|0.143781|0.304034|0.500000| |2.948137|2.585365|2.730034|0.078165|2.302693|3.905139|1.913847|4.342078|3.962926|7.482941|4.423027|0.106885|3.808666|6.106182|6.702743|6.736894|8.748909|17.634412|12.429168|0.225274|0.181351|6.883509|5.733102|3.910700|7.524381|3.011917|2.654731|2.249697|2.250298|3.569836|2.615157|0.074219|0.094182|0.085087|0.067964|0.064022|0.058248|0.063898|0.052627|0.051415|0.049515|0.082553|0.090796|0.095259|0.214975|0.177071|0.213322|0.173057|0.500000| |3.367720|2.801038|2.808381|0.079239|2.321941|3.968800|1.926658|4.378093|3.798765|7.028218|3.984241|0.101535|3.234253|4.722313|4.621137|5.462801|8.765854|17.624690|12.369156|0.222562|0.225613|5.564012|4.910414|3.044435|5.667303|2.481215|2.246632|1.945770|1.939296|3.004103|2.204633|0.086669|0.110760|0.096061|0.073994|0.068915|0.059261|0.062696|0.052003|0.052019|0.050209|0.083406|0.079209|0.082249|0.131218|0.126194|0.212528|0.215360|0.301443|0.500000| |2.431143|2.263355|2.431123|0.067194|2.150151|3.786479|1.894883|3.979244|3.500200|6.008975|4.478431|0.115711|4.181384|7.207387|6.664682|6.665458|5.652182|6.827962|12.338508|0.223864|0.180658|17.660063|8.776709|5.410486|12.303274|3.894055|3.137984|2.670489|2.812456|4.752738|3.721375|0.061766|0.077034|0.067305|0.061655|0.056087|0.053778|0.060450|0.052707|0.051906|0.048274|0.080089|0.106418|0.097060|0.239431|0.141185|0.126575|0.131338|0.203589|0.141341|0.500000| |2.394230|2.236666|2.342164|0.063084|2.089200|3.783069|1.899739|3.833959|3.201605|5.277779|4.068244|0.115081|3.622230|5.548350|4.615152|5.434769|4.882908|5.566495|12.368261|0.221744|0.226222|17.624857|8.772898|4.174241|8.673394|3.317110|2.743422|2.414849|2.571057|4.239272|3.400484|0.061824|0.076638|0.064504|0.062466|0.055199|0.052304|0.057785|0.052228|0.052960|0.048266|0.079698|0.097318|0.084322|0.139901|0.104353|0.107410|0.128626|0.142004|0.126531|0.301453|0.500000| |3.227700|3.050689|3.246469|0.084240|2.807155|5.182210|2.496541|5.784307|4.854121|7.228221|6.973779|0.226167|5.085159|6.723698|5.475847|8.803748|6.925663|5.751758|9.439968|0.144339|0.205778|8.902317|17.501508|4.425286|7.853657|3.566401|3.072810|2.620861|2.665483|4.284518|3.142452|0.080619|0.108390|0.083919|0.086536|0.072215|0.067974|0.076455|0.067711|0.069636|0.061916|0.124536|0.135473|0.112288|0.138496|0.123394|0.141045|0.205014|0.132920|0.129436|0.173383|0.215803|0.500000| |2.715677|2.650392|2.946765|0.078416|2.644621|4.809569|2.380958|5.167827|4.504163|6.924058|6.970789|0.200246|6.443993|9.710151|6.911293|8.713449|5.520139|4.882595|7.647909|0.127395|0.143893|9.047725|17.627133|7.028796|12.552472|5.124131|4.023320|3.316135|3.457015|5.956859|4.369081|0.067625|0.086938|0.072773|0.073857|0.064256|0.064060|0.074823|0.066580|0.065896|0.058880|0.109775|0.177895|0.131347|0.178819|0.139765|0.122883|0.140369|0.127912|0.107833|0.215076|0.213641|0.304085|0.500000| |2.250552|2.377352|2.896721|0.081920|2.895340|4.918089|2.595077|4.582735|3.840934|6.547983|4.374216|0.108768|6.815853|9.011535|4.521081|3.781575|2.978515|2.609934|3.390428|0.063234|0.064708|2.876765|3.394559|6.478788|8.274540|8.737352|17.799220|8.602093|5.850761|7.960110|4.106975|0.055509|0.065621|0.063131|0.063640|0.060853|0.070799|0.092165|0.079465|0.068089|0.064516|0.092332|0.198734|0.212214|0.110896|0.121064|0.082463|0.075348|0.075159|0.063895|0.083750|0.072740|0.084223|0.105825|0.500000| |1.749830|1.856062|2.159303|0.059890|2.237465|3.948865|2.198215|3.270969|2.561923|4.344420|2.847853|0.076405|3.688530|4.976134|2.873675|2.581427|2.153698|1.971987|2.658777|0.050827|0.051592|2.239623|2.514003|4.065012|6.057255|5.803048|8.568474|17.803390|8.739756|7.969861|4.144703|0.044348|0.050484|0.048516|0.050805|0.048486|0.056483|0.069479|0.067722|0.059299|0.055458|0.068010|0.115128|0.105145|0.075580|0.076103|0.058798|0.056244|0.056323|0.049476|0.064781|0.059318|0.064726|0.078779|0.196662|0.500000| |1.590992|1.649357|1.857617|0.050960|1.872867|3.375335|1.858219|2.851785|2.246711|3.781614|2.599201|0.071407|3.185972|4.604380|2.743134|2.498830|2.084185|1.975701|2.773570|0.053736|0.053646|2.406748|2.604828|4.188039|6.840202|5.919341|5.825076|8.620312|17.796960|12.335486|7.022867|0.040802|0.046599|0.043774|0.045694|0.042801|0.047468|0.056079|0.055403|0.051349|0.047061|0.059982|0.099691|0.083842|0.075610|0.069696|0.055340|0.054537|0.056523|0.049351|0.070417|0.065779|0.066715|0.084099|0.123520|0.197170|0.500000| 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