Version2.1 2020-12-14T10:44:52Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 13-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCc1ccc(cc1)N2C(=O)[C@H]3[C@@H]([NH2+][C@@]([C@@H]3C2=O)(CO)C(=O)[O-])c4ccc5c(c4)OCCO5 C33931124 RHF 6-31G(d) (6D,7F) CCc1ccc(cc1)N2C(=O)[C@H]3[C@@H]([NH2+][C@@]([C@@H]3C2=O)(CO)C(=O)[O-])c4ccc5c(c4)OCCO5 C01[X(C24H24N2O7)] 165 C1 543 CCc1ccc(cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@H]2c1ccc2c(c1)OCCO2)(CO)C(=O)[O-] CCc1ccc(cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@H]2c1ccc2c(c1)OCCO2)(CO)C(=O)[O-] CCc1ccc(cc1)N2C(=O)[C@H]3[C@@H]([NH2+][C@](CO)([C@@H]3C2=O)C([O-])=O)c4ccc5OCCOc5c4 InChIKey=GAGCTQMDPPKWQI-KCOOYEKVSA-N InChI=1S/C24H24N2O7/c1-2-13-3-6-15(7-4-13)26-21(28)18-19(22(26)29)24(12-27,23(30)31)25-20(18)14-5-8-16-17(11-14)33-10-9-32-16/h3-8,11,18-20,25,27H,2,9-10,12H2,1H3,(H,30,31)/t18-,19+,20+,24-/m1/s1 InChI=1/C24H24N2O7/c1-2-13-3-6-15(7-4-13)26-21(28)18-19(22(26)29)24(12-27,23(30)31)25-20(18)14-5-8-16-17(11-14)33-10-9-32-16/h3-8,11,18-20,25,27H,2,9-10,12H2,1H3,(H,30,31)/t18-,19+,20+,24-/m1/s1/f/h25H CCc1ccc(cc1)N2C(=O)[C@H]3[C@@H]([NH2+][C@@]([C@@H]3C2=O)(CO)C(=O)[O-])c4ccc5c(c4)OCCO5 C01[X(C24H24N2O7)] 165 C01 543 CCc1ccc(cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2+][C@H]2c1ccc2c(c1)OCCO2)(CO)C(=O)[O-] CC[C]1[CH][CH][C]([CH][CH]1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@]([NH2][C@H]2[C]1[CH][CH][C]2[C]([CH]1)OCCO2)(CO)[C]([O])=O CC[C]1[CH][CH][C]([CH][CH]1)N2C(=O)[C@H]3[C@@H]([NH2][C@](CO)([C@@H]3C2=O)C([O])=O)[C]4[CH][CH][C]5OCCO[C]5[CH]4 InChIKey=QIOGWMIFOIEWET-KCOOYEKVSA-N InChI=1S/C24H24N2O7/c1-2-13-3-6-15(7-4-13)26-21(28)18-19(22(26)29)24(12-27,23(30)31)25-20(18)14-5-8-16-17(11-14)33-10-9-32-16/h3-8,11,18-20,27H,2,9-10,12,25H2,1H3/t18-,19+,20+,24-/m1/s1 InChI=1/C24H24N2O7/c1-2-13-3-6-15(7-4-13)26-21(28)18-19(22(26)29)24(12-27,23(30)31)25-20(18)14-5-8-16-17(11-14)33-10-9-32-16/h3-8,11,18-20,27H,2,9-10,12,25H2,1H3/t18-,19+,20+,24-/m1/s1 3361.3103553373 -1555.7353619 1-A 19730.9599 119 424 543 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.61868 -20.61794 -20.58064 -20.57800 -20.57617 -20.48662 -20.48320 -15.69573 -15.63836 -11.39781 -11.39486 -11.34522 -11.32641 -11.32612 -11.32502 -11.31409 -11.31342 -11.30862 -11.29656 -11.29445 -11.28676 -11.28666 -11.28217 -11.27082 -11.26842 -11.26523 -11.24859 -11.24758 -11.24649 -11.23933 -11.23861 -11.23382 -11.21959 -1.47209 -1.45483 -1.43581 -1.42858 -1.39840 -1.37560 -1.34118 -1.30581 -1.27613 -1.19690 -1.18078 -1.14517 -1.10803 -1.07215 -1.06914 -1.05226 -1.03064 -1.01303 -0.99813 -0.96996 -0.95090 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1561.8339 1562.0806 1566.0008 1579.0476 1580.6850 1584.3421 1622.3773 1635.7333 1640.3478 1653.5581 1654.4419 1655.0516 1658.7603 1696.7569 1698.3115 1778.8377 1788.7780 1811.3557 1820.2676 1822.0017 1966.6540 2022.9617 2078.4716 3199.1643 3204.1608 3213.3876 3222.8107 3230.5316 3237.5691 3243.3205 3244.3404 3269.7321 3277.7907 3300.1404 3317.9444 3318.3670 3319.4626 3357.1448 3360.5946 3362.4849 3388.3192 3388.4129 3390.9707 3400.4072 3443.3815 3724.1744 4032.0383 4.5363 3.5233 5.2438 6.1406 3.7269 4.3360 5.3221 11.1443 9.5908 4.3454 5.1522 6.6407 5.0725 6.9202 6.1514 4.9385 6.2914 5.0431 1.3348 3.8262 4.8320 4.4739 4.8838 5.9705 3.9395 2.6289 2.6195 4.4145 3.5721 4.5420 4.0610 4.5059 2.9427 4.6521 5.8209 7.1144 3.4907 5.7675 4.6978 3.8408 3.9122 2.7153 3.3084 3.8011 2.7639 2.1557 4.3249 6.5012 3.5936 3.4844 4.5680 4.2967 4.6671 4.2645 4.0064 5.3774 4.6014 4.2903 1.1643 6.1624 5.9776 4.6900 1.4772 1.7437 1.5353 2.5128 2.8102 2.4709 1.6602 3.0039 2.4477 2.4036 2.4914 4.7467 1.3895 1.3942 1.3697 2.8180 3.9336 1.7291 1.9254 3.3835 1.8539 3.1729 1.8030 5.6007 2.7716 2.5572 2.4768 3.3025 1.9469 3.2700 2.3272 2.1741 1.5015 1.7166 2.7040 1.8229 2.0558 1.8364 1.5439 1.4965 1.3770 1.2353 1.4236 1.3656 1.5130 1.8293 2.8655 1.2814 1.7064 2.9856 1.5033 1.4410 1.7767 2.4735 1.3826 1.5701 1.2603 1.6528 1.4678 1.7021 2.1476 2.0659 2.2929 1.0523 1.0414 1.0959 1.0947 1.1443 1.1418 2.6147 2.9831 6.3080 6.7090 1.1585 4.5640 5.5979 9.8939 13.0499 13.0217 1.0836 1.0365 1.0606 1.0812 1.0718 1.0640 1.1051 1.0690 1.1030 1.1045 1.0890 1.1006 1.0980 1.1056 1.0906 1.0902 1.0903 1.0955 1.0930 1.0958 1.0949 1.0713 1.0805 1.0660 0.0006 0.0007 0.0022 0.0033 0.0039 0.0052 0.0102 0.0312 0.0391 0.0244 0.0363 0.0493 0.0520 0.0862 0.0785 0.0780 0.1100 0.1160 0.0431 0.1265 0.1640 0.1849 0.2449 0.3161 0.2478 0.1897 0.1949 0.3507 0.3086 0.4150 0.4413 0.5125 0.3655 0.6174 0.8512 1.0956 0.5561 0.9684 0.7980 0.7246 0.7857 0.6194 0.7781 0.9055 0.7035 0.5706 1.2244 1.8937 1.0844 1.1037 1.5525 1.5438 1.7419 1.6180 1.5970 2.1534 1.8897 1.8000 0.5000 2.7895 2.7500 2.2875 0.7554 0.9073 0.8016 1.3244 1.5499 1.4030 0.9731 1.8657 1.5536 1.5352 1.6252 3.2058 0.9493 0.9550 0.9647 2.0810 2.9327 1.3537 1.5179 2.7818 1.5328 2.6399 1.5266 4.7938 2.3786 2.2548 2.1959 2.9694 1.7823 3.0380 2.2126 2.1372 1.5080 1.7307 2.7706 1.8706 2.1284 1.9695 1.6667 1.6473 1.5804 1.4288 1.6778 1.6120 1.8211 2.2701 3.6068 1.6316 2.2222 3.9112 1.9838 1.9246 2.3830 3.4068 1.9302 2.1968 1.8114 2.3762 2.1209 2.5005 3.1615 3.0553 3.5557 1.6589 1.6510 1.7654 1.7654 1.8468 1.8510 4.4351 5.0693 11.7603 12.6479 2.2395 8.9098 10.9490 22.5462 31.4654 33.1441 6.5340 6.2698 6.4527 6.6162 6.5905 6.5709 6.8488 6.6296 6.9477 6.9917 6.9875 7.1385 7.1236 7.1780 7.2421 7.2540 7.2631 7.4104 7.3937 7.4242 7.4592 7.4841 8.8291 10.2111 0.1606 0.2309 0.6841 0.5899 0.4554 0.4569 0.3871 0.3647 1.0392 5.7788 10.4171 5.6455 18.4001 4.4865 5.8828 0.4681 10.7641 2.0935 0.4802 0.5802 0.2183 2.0920 1.0296 11.0778 1.6510 1.3285 1.0068 14.3709 50.2340 1.1869 5.9730 3.7091 0.3626 7.0028 11.7082 2.8377 6.6541 3.0693 15.6773 6.3171 5.8868 34.4659 9.9639 11.4061 29.7678 144.0420 19.5278 2.4796 1.9099 6.2472 24.4486 43.1671 5.9751 12.8651 10.0657 6.5295 18.9493 38.0887 0.5555 63.4086 8.2834 11.2901 27.7629 29.3689 18.3959 33.5017 7.0571 68.4693 28.4951 12.1793 38.8444 1.8140 9.6158 5.3866 2.5290 5.7779 0.1862 2.6531 72.4193 11.2791 49.0502 24.9424 14.2597 3.5316 2.5331 56.5986 89.3976 12.9919 4.5906 79.9394 5.9222 140.4243 13.1621 50.7549 2.1013 1.9442 51.0148 24.3656 2.5461 17.9467 9.4662 43.2675 23.1469 0.3113 22.7019 59.8710 13.1110 28.0686 565.6376 0.3884 169.3224 161.8410 6.9680 7.3764 358.5698 130.3494 14.1219 208.4779 2.3399 62.8412 47.5878 73.7702 33.0539 26.4599 95.8552 0.3001 6.7575 12.3455 2.3723 14.0413 1.7921 165.3142 167.4954 0.3874 62.2543 41.1492 10.8152 0.9985 409.2961 817.5086 61.2162 4.5913 43.3330 34.0616 5.2561 37.2732 52.9056 6.5275 50.4087 67.3519 49.1034 3.9045 16.8358 52.5538 25.6564 14.7218 17.0124 18.1117 16.1179 1.2658 4.7001 2.8204 327.0578 76.8389 138.1894 3.7948 3.0596 2.9650 0.9291 3.0637 0.5110 1.2577 0.2728 1.0216 0.1523 0.3332 0.2893 0.0768 0.1006 1.3572 2.7978 0.5986 4.0931 0.1039 1.2878 0.9930 1.0153 2.2469 0.6877 1.1651 1.0426 0.1366 2.2925 1.4462 0.9957 0.2264 1.5840 0.2689 1.8619 1.5872 1.3000 0.6834 0.7152 1.7702 2.4147 0.6584 1.8317 3.8585 1.8502 3.4464 2.0573 5.1819 6.7386 6.3956 1.6442 1.1165 2.6928 1.1238 3.3492 5.9115 8.0111 12.5973 9.4035 0.3359 1.1932 17.5277 7.0761 1.9017 0.5702 3.5114 2.3957 2.4699 4.0919 4.3826 8.7457 3.2832 11.3292 1.8862 2.9909 0.6468 2.9150 0.0820 0.2760 7.3421 1.7256 1.3296 2.5589 8.9949 2.7126 0.1598 4.1724 4.4055 3.1650 8.8013 3.8143 1.7545 9.0106 9.6328 19.9292 1.3511 0.8290 4.1928 1.4512 4.4298 4.2356 3.1410 3.5504 7.1682 7.3841 4.0980 7.9383 1.2251 3.3589 42.6165 0.5414 24.2387 3.1391 12.3164 4.8204 1.1166 8.5164 10.1156 7.6625 5.7028 2.5828 3.6232 1.8991 0.9558 13.3846 8.8699 33.1492 22.9387 5.4366 0.8555 17.7021 11.0113 3.0013 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14.00307 1.00783 1.00783 12.00000 12.00000 1.00783 12.00000 15.99491 12.00000 15.99491 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 15.99491 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 10853.9397 26265.9636 34058.6889 0.99993 0.01134 -0.00249 -0.01133 0.99993 0.00185 0.00251 -0.00182 1.00000 1 0.00798 0.00330 0.00254 0.16628 0.06871 0.05299 21.41 25.64 38.51 43.65 60.61 65.03 81.97 99.23 119.63 140.32 157.36 161.48 189.70 209.19 211.79 235.62 247.81 284.24 336.76 340.86 345.33 381.03 419.78 431.32 470.08 503.57 511.33 528.34 550.93 566.59 617.91 632.19 660.58 682.83 716.78 735.58 748.13 768.09 772.56 814.14 840.01 895.22 909.01 914.89 945.68 964.34 997.34 1011.64 1029.69 1054.92 1092.73 1123.56 1145.13 1154.57 1183.44 1186.18 1201.21 1214.11 1228.37 1261.13 1271.37 1309.08 1340.39 1352.10 1354.41 1360.81 1392.06 1412.46 1435.06 1477.21 1493.35 1498.04 1513.92 1540.42 1549.29 1551.35 1573.04 1610.75 1618.48 1658.51 1664.28 1699.61 1704.37 1709.75 1724.77 1734.15 1736.44 1760.10 1764.93 1777.40 1793.46 1806.69 1827.70 1858.44 1878.45 1882.13 1897.37 1898.81 1907.22 1941.12 1947.54 1966.66 2008.12 2015.84 2034.94 2036.51 2056.49 2088.06 2102.92 2115.09 2139.07 2145.40 2153.26 2166.23 2170.79 2199.84 2214.75 2217.17 2247.13 2247.49 2253.13 2271.90 2274.25 2279.51 2334.24 2353.46 2360.09 2379.10 2380.37 2381.25 2386.59 2441.25 2443.49 2559.35 2573.65 2606.14 2618.96 2621.45 2829.58 2910.59 2990.46 4602.88 4610.07 4623.35 4636.91 4648.01 4658.14 4666.41 4667.88 4704.42 4716.01 4748.17 4773.78 4774.39 4775.97 4830.18 4835.15 4837.87 4875.04 4875.17 4878.85 4892.43 4954.26 5358.26 5801.20 0.493749 0.520557 0.521502 0.432334 -1555.241613 -1555.214804 -1555.213860 -1555.303028 2.990709D-04 MUNgauss RevisionA2.0 retrievium 14-Dec-2020 DUDE CCc1ccc(cc1)N2C(=O)[C@H]3[C@@H]([NH2+][C@@]([C@@H]3C2=O)(CO)C(=O)[O-])c4ccc5c(c4)OCCO5 C33931124 RHF 6-31G(d) (6D,10F) C1 452.158351 |X|Y|Z| 71.637299 116.588740 31.718256 64.224644 24 6 7 8 20 2 2 |36.858105| |12.421529|36.858105| |7.509793|12.584798|36.858105| |5.656459|7.538003|13.705151|36.858105| |4.161987|5.007155|7.886915|13.771885|36.858105| |3.752773|4.427511|6.829942|7.960159|13.772578|36.858105| |4.159905|5.007104|7.885833|6.897071|7.950639|13.769514|36.858105| |5.662170|7.538745|13.703396|7.987829|6.898552|7.961119|13.773961|36.858105| |2.949245|3.322887|4.514708|5.144559|7.815800|13.318387|7.819281|5.146066|53.358707| |2.538504|2.881121|3.717893|4.297034|6.096371|7.648999|5.377003|4.020075|18.549004|36.858105| |2.507837|2.918513|3.716808|4.346606|5.898506|6.559136|4.878431|3.883585|11.239802|16.096469|73.516695| |2.192824|2.400802|2.963798|3.331502|4.377738|5.189565|4.081130|3.195231|11.333191|12.614433|13.864087|36.858105| |2.190574|2.363904|2.896034|3.339151|4.405072|4.870138|3.754734|3.029377|9.802383|9.193091|11.555256|17.531699|0.500000| |1.878570|2.045593|2.438556|2.674821|3.300181|3.748937|3.186179|2.612556|6.979902|6.996203|10.356556|12.549006|0.248410|36.858105| |1.848877|2.032028|2.413094|2.595605|3.146408|3.635107|3.196346|2.621952|6.561331|6.490396|10.274748|8.883133|0.175005|17.636803|0.500000| |1.771388|1.888892|2.222404|2.391740|2.883901|3.294038|2.902480|2.402297|5.956154|5.058942|7.401369|8.191483|0.196226|12.453117|0.252195|53.358707| |1.665781|1.761052|2.046784|2.213165|2.634613|2.919337|2.575868|2.178337|5.081975|4.247142|6.443605|6.374892|0.174096|8.905053|0.185008|25.710993|0.500000| |1.687345|1.799798|2.098339|2.217825|2.622782|3.015724|2.746639|2.290722|5.278391|4.373542|6.629276|6.221393|0.145889|9.013828|0.242127|25.338650|0.321139|0.500000| |1.935493|2.039800|2.427666|2.591340|3.152445|3.723978|3.298646|2.671308|6.918175|5.171561|7.130267|7.931772|0.198585|7.446680|0.171371|16.834186|0.250710|0.263262|36.858105| |2.230878|2.402850|2.964658|3.189036|4.066915|5.186841|4.394214|3.339766|11.297607|8.110786|9.765950|12.556015|0.247693|7.995959|0.193920|11.208517|0.168595|0.189758|12.515640|36.858105| |2.180429|2.374115|2.910976|3.039043|3.763664|4.898433|4.448910|3.365157|9.836070|7.257096|9.484516|8.967531|0.175025|7.308187|0.211789|9.884530|0.147177|0.194657|9.040091|17.495483|0.500000| |2.682691|2.884895|3.715720|4.012391|5.360339|7.632013|6.101502|4.298600|18.414146|8.120767|9.742483|8.136990|0.200773|5.201391|0.132215|6.866674|0.117490|0.123281|6.916735|12.609413|0.255173|36.858105| |2.822941|2.935001|3.726587|3.893727|4.893742|6.581475|5.912321|4.356238|11.249917|5.495406|7.437300|5.506924|0.147871|4.020111|0.103706|5.624336|0.100617|0.104129|5.735737|7.774920|0.179436|16.135250|73.516695| |1.902230|1.965262|2.311616|2.500142|3.010076|3.388807|2.970266|2.478831|5.945304|4.288209|6.119432|6.010036|0.184313|5.416238|0.122661|10.302283|0.211614|0.165572|12.534037|7.349818|0.152749|5.773051|9.527150|36.858105| |1.671612|1.717983|1.977177|2.119398|2.479421|2.722490|2.446616|2.099957|4.547747|3.385292|5.093274|4.512723|0.135074|4.611457|0.107704|9.105608|0.221152|0.158215|7.990805|5.051237|0.117830|4.083727|6.907055|13.636623|73.516695| |1.792779|1.874767|2.187978|2.263096|2.649940|3.129914|2.953414|2.443406|5.383139|3.892014|5.713341|5.047435|0.125558|5.179176|0.137456|10.584323|0.177936|0.240708|12.056472|7.313633|0.203611|5.165455|8.489221|7.423048|11.625820|36.858105| |1.708482|1.806109|2.095329|2.150742|2.494528|2.942229|2.818147|2.347121|4.984458|3.753613|5.684829|4.720410|0.112611|5.289308|0.153619|10.180078|0.165701|0.288402|8.137484|6.243473|0.200409|4.438607|7.094086|5.286741|8.826399|15.429198|73.516695| |1.763124|1.813606|2.093547|2.148428|2.474400|2.881099|2.763418|2.329951|4.756652|3.309201|4.937066|4.067108|0.106765|3.995114|0.105144|7.446025|0.138820|0.158762|8.051647|5.589861|0.149535|4.586559|8.229409|6.981693|11.606849|15.690786|15.086193|73.516695| |1.731571|1.879841|2.197673|2.440343|2.943987|3.149516|2.683777|2.285774|5.424465|5.294743|8.897310|7.327028|0.193780|12.625402|0.248170|10.273698|0.206865|0.169456|5.046441|5.043986|0.128850|3.873972|5.655613|4.372678|7.198636|3.853630|6.965096|5.664620|36.858105| |1.682871|1.801612|2.086661|2.342500|2.803800|2.904494|2.462586|2.132893|4.867539|4.442210|7.395514|5.924349|0.186209|7.512300|0.155177|8.408374|0.195452|0.136558|4.599953|4.354711|0.106467|3.547102|5.359391|4.508692|7.693033|3.497114|6.030382|5.369137|13.675109|36.858105| |1.552291|1.657138|1.885923|2.112782|2.462565|2.485974|2.142636|1.900712|3.974948|3.518574|6.159216|4.222339|0.129318|5.013055|0.116639|5.916171|0.135748|0.104101|3.463228|3.317810|0.083844|2.850341|4.438643|3.474850|6.159197|2.817447|4.924381|4.453762|7.918242|13.805605|36.858105| |1.477407|1.589369|1.793906|1.991996|2.286651|2.306557|2.018370|1.807174|3.616654|3.222540|5.882184|3.670709|0.106045|4.438708|0.111297|5.093253|0.111836|0.094168|2.987616|2.934864|0.076888|2.544345|3.972318|2.886790|5.106589|2.528130|4.549000|3.988606|6.844560|7.942619|13.751505|36.858105| |1.508310|1.640237|1.860436|2.048074|2.357032|2.419979|2.131973|1.894881|3.822593|3.501067|6.544038|3.937033|0.107261|5.041753|0.134248|5.434580|0.113959|0.103213|3.099393|3.118098|0.084093|2.654220|4.084488|2.849607|4.955516|2.653302|4.912832|4.105109|7.917105|6.880919|7.944226|13.717566|36.858105| |1.627793|1.780550|2.053158|2.256245|2.652489|2.802724|2.447908|2.125672|4.599955|4.412683|8.099379|5.214308|0.133898|7.633616|0.206778|7.187709|0.143247|0.134790|3.840579|3.935498|0.107112|3.192138|4.771497|3.346135|5.662135|3.200461|6.015480|4.792532|13.760650|7.956753|6.892925|7.936751|13.761197|36.858105| |1.419943|1.548663|1.735167|1.888518|2.129953|2.178471|1.957000|1.764264|3.350192|2.996634|5.727525|3.212607|0.086170|3.930427|0.110893|4.407852|0.090831|0.086872|2.612522|2.654733|0.073319|2.312784|3.609063|2.396448|4.185130|2.319278|4.353234|3.629048|5.253319|4.623597|5.226656|7.965862|14.090505|8.096644|73.516695| |1.304390|1.410322|1.560391|1.693289|1.882255|1.903118|1.723664|1.574714|2.877864|2.494815|4.706131|2.664376|0.073121|3.142995|0.086998|3.719974|0.078281|0.073528|2.265629|2.264345|0.062093|2.009133|3.192795|2.134546|3.794242|2.040678|3.791211|3.253137|4.036521|3.886668|4.679156|7.067475|8.186794|5.305840|24.042809|36.858105| |1.322493|1.423596|1.572031|1.725839|1.917333|1.904074|1.706461|1.567181|2.860637|2.464219|4.639688|2.621822|0.074163|2.987392|0.079883|3.553362|0.075729|0.068615|2.206939|2.207200|0.059357|1.990371|3.179021|2.135279|3.788562|1.956524|3.558773|3.153013|3.877680|4.043252|5.300149|8.186781|7.069465|4.680255|14.172965|12.586996|36.858105| |1.368967|1.465130|1.630221|1.802009|2.027753|2.018327|1.788780|1.628205|3.081941|2.662526|4.897434|2.930331|0.084903|3.376125|0.086973|4.052182|0.088707|0.076576|2.480909|2.435499|0.064289|2.170735|3.456512|2.441769|4.373445|2.157137|3.873628|3.471105|4.608239|5.260843|8.084953|14.101660|7.970255|5.226733|12.091895|7.970926|13.518125|73.516695| |17.555455|8.764692|6.800503|5.965646|4.384922|3.784314|3.963013|5.028876|4.081712|2.580056|4.503862|2.243503|0.063247|1.909244|0.051621|2.453297|0.047349|0.047312|1.973846|2.263697|0.060507|2.735414|5.137551|1.969406|3.069750|1.807634|3.037258|3.169047|1.770823|1.740222|1.607130|1.518798|1.537256|1.653066|2.558167|1.325208|1.353595|2.504250|0.500000| |17.557514|8.764790|6.803071|5.025747|3.967311|3.785792|4.383084|5.976460|4.083285|2.533524|4.369847|2.212205|0.061058|1.892715|0.051831|2.458301|0.047028|0.047978|1.999483|2.302130|0.062747|2.798197|5.360885|1.961907|3.056204|1.871347|3.157482|3.296713|1.725195|1.672057|1.532506|1.453818|1.486724|1.613683|2.482738|1.281213|1.293130|2.387106|0.301899|0.500000| |17.547922|8.780141|5.482191|4.424687|3.413366|3.112353|3.412592|4.428138|3.448856|2.233225|3.956626|1.954848|0.054237|1.702681|0.046708|2.192200|0.042286|0.042828|1.743774|1.981643|0.054072|2.328707|4.330406|1.716645|2.714295|1.629394|2.775872|2.855421|1.583814|1.542669|1.435507|1.374048|1.401357|1.500962|2.361339|1.227489|1.244649|2.279554|0.301137|0.301135|0.500000| |8.849980|17.546988|8.919651|7.144013|4.728469|3.983802|4.218642|5.675639|4.190335|2.760477|5.083926|2.301682|0.063396|1.979523|0.054526|2.466663|0.047212|0.047856|1.928362|2.253237|0.061603|2.648675|4.708519|1.865992|2.921364|1.762462|3.030491|3.019467|1.848253|1.779577|1.653328|1.594103|1.640780|1.764471|2.766425|1.422271|1.443212|2.627916|0.210694|0.172970|0.213073|0.500000| |8.851434|17.547698|8.920656|5.677525|4.218246|3.984311|4.730598|7.142547|4.191018|2.703545|4.893819|2.267755|0.061196|1.960947|0.054764|2.471350|0.046890|0.048534|1.951762|2.290428|0.063942|2.704545|4.876322|1.859380|2.909384|1.820646|3.148520|3.128001|1.796662|1.707148|1.572767|1.519788|1.579990|1.716926|2.672112|1.368531|1.370944|2.494145|0.172983|0.210670|0.213154|0.304097|0.500000| |5.540447|6.988337|8.909415|17.706299|8.959601|5.664375|4.963713|5.662630|5.684407|3.704418|6.805783|2.976953|0.084517|2.448800|0.065649|2.987272|0.057196|0.056491|2.342821|2.799786|0.073745|3.388949|5.867005|2.298869|3.518647|2.050948|3.470666|3.478644|2.293805|2.237267|2.053550|1.941919|1.975647|2.138410|3.254146|1.657561|1.706944|3.159051|0.172691|0.128913|0.125167|0.213889|0.143849|0.500000| |3.548628|4.086047|5.624924|8.918292|17.731208|8.926635|5.653356|4.966340|9.766668|6.367736|11.139585|4.675124|0.137900|3.493960|0.090083|4.085325|0.077179|0.074456|3.216292|4.065583|0.101365|5.084234|8.038388|3.139982|4.602862|2.634556|4.389630|4.354804|3.207972|3.122680|2.744778|2.516754|2.556461|2.855123|4.051861|2.014201|2.081690|3.951520|0.106349|0.093253|0.083477|0.112127|0.097141|0.216183|0.500000| |3.547457|4.086160|5.624430|4.965678|5.653381|8.925075|17.732550|8.918570|9.772797|5.106848|8.020956|4.091512|0.101404|3.264418|0.092806|4.136283|0.073885|0.081405|3.510559|4.709698|0.139867|6.382879|11.135487|3.062121|4.488116|3.249390|5.560861|5.383411|2.683062|2.428508|2.099727|1.982980|2.111860|2.448869|3.453765|1.706984|1.671898|3.115128|0.093175|0.106318|0.083470|0.097151|0.112173|0.107726|0.124298|0.500000| |5.551298|6.989468|8.908769|5.662739|4.964565|5.665140|8.962388|17.707706|5.686472|3.396788|5.856665|2.807611|0.073597|2.364841|0.066640|3.007192|0.055823|0.059352|2.450820|2.987182|0.085233|3.706903|6.812297|2.269623|3.468948|2.305469|3.970712|3.943850|2.076087|1.935579|1.737039|1.662078|1.746408|1.949405|2.916600|1.472223|1.457360|2.678779|0.129102|0.173277|0.125366|0.143781|0.213723|0.124213|0.107739|0.216238|0.500000| |1.995604|2.033970|2.391048|2.556833|3.046764|3.456178|3.087921|2.583192|5.879058|3.956256|5.672560|5.055567|0.151745|4.352506|0.103944|7.544381|0.149289|0.132280|9.014815|6.578665|0.141697|6.007626|11.090297|17.631988|16.411361|6.828704|8.517765|13.241999|3.570853|3.643599|2.938341|2.500304|2.475579|2.857943|3.783110|1.912870|1.917298|3.840228|0.057502|0.057789|0.049835|0.053136|0.053353|0.064959|0.086646|0.088907|0.065974|0.500000| |1.960677|2.030677|2.399291|2.659838|3.253465|3.552952|3.004721|2.520777|6.250913|4.625167|6.595054|6.552299|0.233853|5.578134|0.121094|9.239099|0.197471|0.143039|8.746372|6.764882|0.137929|5.696777|9.125755|17.571839|16.931897|5.400766|7.608061|8.913584|4.768180|5.249924|3.950576|3.163993|3.047685|3.542733|4.478913|2.244635|2.287899|4.720267|0.056954|0.055600|0.049032|0.053988|0.052832|0.068526|0.097345|0.083637|0.063243|0.301367|0.500000| |1.627398|1.665213|1.905137|2.012785|2.325627|2.576721|2.368776|2.041539|4.236712|3.092714|4.688702|3.975612|0.114229|4.068922|0.099366|7.944671|0.179630|0.150756|7.267721|4.671204|0.113775|3.845034|6.691777|10.000104|35.527671|7.323605|9.499075|14.690088|3.524619|3.633503|2.997323|2.563917|2.525581|2.875020|3.868567|1.981527|1.959553|3.958373|0.046453|0.046790|0.041396|0.044043|0.044322|0.052070|0.066413|0.068805|0.053239|0.238994|0.190930|0.500000| |1.736054|1.839073|2.137562|2.408200|2.903310|3.010741|2.533828|2.185546|5.097046|4.447093|7.058110|6.165306|0.216111|6.885772|0.139324|8.821933|0.215437|0.136845|5.194434|4.702201|0.109609|3.856778|5.885043|5.573604|9.397288|3.769031|6.211234|5.879304|8.837385|17.699063|8.997509|5.664049|4.954982|5.638031|6.517348|3.204940|3.366680|7.573216|0.050196|0.048118|0.044033|0.050188|0.048119|0.063764|0.090249|0.069295|0.054930|0.120659|0.195611|0.117385|0.500000| |1.504135|1.590506|1.794953|2.013008|2.320368|2.310931|2.000974|1.794436|3.627809|3.100843|5.393579|3.641929|0.114211|4.073713|0.096195|5.095419|0.118136|0.090525|3.140167|2.974482|0.074711|2.627350|4.178115|3.290797|5.945930|2.590031|4.458026|4.190331|5.625242|8.888652|17.740954|8.990227|5.666301|4.964422|7.515997|4.065045|4.845498|13.225290|0.043499|0.041203|0.038753|0.044181|0.041792|0.054869|0.072073|0.054234|0.045652|0.078430|0.104998|0.080304|0.215874|0.500000| |1.631198|1.798208|2.072538|2.246183|2.620096|2.813258|2.502210|2.169399|4.578705|4.385109|8.250848|4.918031|0.119634|7.030420|0.228015|6.700172|0.126887|0.133417|3.673897|3.872341|0.110621|3.147104|4.698219|3.096799|5.199702|3.176599|6.171381|4.720006|8.859835|5.634750|4.963852|5.670060|9.019653|17.729254|13.309779|4.866495|4.075290|7.528213|0.045622|0.045003|0.041834|0.049377|0.048594|0.058699|0.076743|0.070307|0.055614|0.074870|0.088701|0.074980|0.123401|0.107749|0.500000| |1.264558|1.370632|1.505838|1.624447|1.786351|1.801327|1.646793|1.516934|2.686533|2.306714|4.397299|2.408228|0.065596|2.781097|0.078354|3.308600|0.068702|0.066080|2.054832|2.075285|0.057456|1.865107|2.980484|1.930074|3.413541|1.874615|3.496348|3.004514|3.409602|3.236987|3.737433|5.130573|5.944783|4.374733|16.886423|17.638844|8.831870|10.158236|0.035564|0.034437|0.033188|0.038516|0.037103|0.044291|0.052729|0.045295|0.039571|0.048591|0.056030|0.049963|0.076233|0.092649|0.118215|0.500000| |1.244528|1.337142|1.476478|1.592193|1.767453|1.800968|1.641810|1.498215|2.734303|2.340634|4.327945|2.547285|0.069910|3.045633|0.084218|3.728449|0.079627|0.074563|2.255159|2.206298|0.060585|1.941370|3.103685|2.131501|3.858955|2.057775|3.838766|3.287818|3.861056|3.763064|4.498929|6.408188|6.994273|4.895402|16.545995|17.553537|8.881535|12.766310|0.035107|0.034108|0.032562|0.037289|0.036103|0.043170|0.052248|0.045470|0.039080|0.052918|0.061679|0.056209|0.087264|0.110419|0.125001|0.299817|0.500000| |1.380612|1.494805|1.650177|1.824085|2.021858|1.983739|1.768889|1.631783|2.951005|2.555444|4.911552|2.648663|0.075036|2.940005|0.078797|3.428129|0.071952|0.065815|2.161897|2.206924|0.059309|2.018789|3.217330|2.088777|3.644302|1.904363|3.450672|3.072367|3.755947|3.868168|4.889601|6.996273|6.410939|4.498696|12.768641|8.881419|17.556578|16.546763|0.039286|0.037293|0.036094|0.042356|0.039900|0.050411|0.061353|0.047754|0.041988|0.052458|0.062562|0.052362|0.090395|0.124501|0.110653|0.213192|0.173843|0.500000| 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