Version2.1 2021-01-13T07:49:24Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 01-Jan-2021 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1cccc(c1)N(C[C@H]2C=c3cccc(c3=[NH+]C2=O)C)C(=O)c4ccc(cc4)[N+](=O)[O-] C38898249 RHF 6-31G(d) (6D,7F) Cc1cccc(c1)N(C[C@H]2C=c3cccc(c3=[NH+]C2=O)C)C(=O)c4ccc(cc4)[N+](=O)[O-] C01[X(C25H22N3O4)] 156 C1 524 Cc1cccc(c1)N(C(=O)c1ccc(cc1)[N+](=O)[O-])C[C@H]1C=c2cccc(c2=[NH+]C1=O)C Cc1cccc(c1)N(C(=O)c1ccc(cc1)[N+](=O)[O-])C[C@H]1C=c2cccc(c2=[NH+]C1=O)C Cc1cccc(c1)N(C[C@H]2C=C3C=CC=C(C)C3=[NH+]C2=O)C(=O)c4ccc(cc4)[N+]([O-])=O InChIKey=XKOHBOOEGLDXMG-HXUWFJFHSA-O InChI=1S/C25H21N3O4/c1-16-5-3-8-22(13-16)27(25(30)18-9-11-21(12-10-18)28(31)32)15-20-14-19-7-4-6-17(2)23(19)26-24(20)29/h3-14,20H,15H2,1-2H3/p+1/t20-/m1/s1 InChI=1/C25H21N3O4/c1-16-5-3-8-22(13-16)27(25(30)18-9-11-21(12-10-18)28(31)32)15-20-14-19-7-4-6-17(2)23(19)26-24(20)29/h3-14,20H,15H2,1-2H3/p+1/t20-/m1/s1/fC25H22N3O4/h26H/q+1 Cc1cccc(c1)N(C[C@H]2C=c3cccc(c3=[NH+]C2=O)C)C(=O)c4ccc(cc4)[N+](=O)[O-] C01[X(C25H22N3O4)] 156 C01 524 Cc1cccc(c1)N(C(=O)c1ccc(cc1)[N+](=O)[O-])C[C@H]1C=c2cccc(c2=[NH+]C1=O)C O=C1N[C]2[C]([CH][CH]=[CH][C]2=C[C@@H]1CN(C(=O)[C]1[CH][CH][C]([CH][CH]1)[N]([O])[O])[C]1[CH][CH][CH][C]([CH]1)C)C C[C]1[CH][CH][CH][C]([CH]1)N(C[C@H]2C=C3C=C[CH][C](C)[C]3NC2=O)C(=O)[C]4[CH][CH][C]([CH][CH]4)N([O])[O] InChIKey=VEZLCZSNJXKILJ-HXUWFJFHSA-N InChI=1S/C25H22N3O4/c1-16-5-3-8-22(13-16)27(25(30)18-9-11-21(12-10-18)28(31)32)15-20-14-19-7-4-6-17(2)23(19)26-24(20)29/h3-14,20H,15H2,1-2H3,(H,26,29)/t20-/m1/s1 InChI=1/C25H22N3O4/c1-16-5-3-8-22(13-16)27(25(30)18-9-11-21(12-10-18)28(31)32)15-20-14-19-7-4-6-17(2)23(19)26-24(20)29/h3-14,20H,15H2,1-2H3,(H,26,29)/t20-/m1/s1/f/h26H 3106.1731170507 -1421.9922397 1-A 15463.0203 112 412 524 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2.5285 1.2554 1.6005 1.4568 1.8048 1.5737 1.4737 2.2776 2.6494 1.6416 1.4904 1.2980 3.3395 2.1256 1.9903 2.1644 2.0413 2.0933 2.4891 5.4808 2.1275 1.6164 2.1403 1.8095 2.0700 3.3457 2.3745 3.7981 2.4060 1.8011 2.0876 2.2851 3.5982 2.5413 1.7356 3.0071 1.6785 1.9823 3.3348 2.5518 2.2945 3.5622 4.1556 8.9771 13.6449 8.1684 9.9547 10.6663 10.5834 10.3679 26.2640 30.4449 25.0735 6.3031 6.3010 6.9284 6.9469 6.7129 7.0211 6.9136 7.1199 7.2639 7.2446 7.3065 7.3512 7.3677 7.3919 7.4286 7.4169 7.4263 7.4262 7.5770 7.6257 7.6369 9.2837 0.8353 0.2935 0.4606 0.9093 2.1715 0.1724 0.3102 1.1188 0.2146 0.8573 0.8459 1.5395 1.8475 6.5168 2.4264 3.8191 0.8854 0.9062 2.2494 0.7166 0.6064 4.5225 0.1748 6.8769 4.9626 0.4189 2.2258 4.4100 1.4527 17.2935 0.0870 6.5494 12.0112 0.4074 20.5257 1.2675 46.8707 3.1092 17.1751 7.3987 1.8636 8.0817 15.7267 0.6162 3.2266 0.3546 3.9845 84.8975 0.5561 1.4605 33.4032 36.1020 14.1595 63.2658 49.1950 18.3135 1.4596 21.5381 33.6809 7.7879 34.2951 23.1737 88.9336 12.2529 40.1162 55.1862 109.5241 13.0055 24.3843 11.4226 4.5585 16.4972 2.5491 4.1800 124.7059 26.9662 7.0228 5.8064 4.6445 19.0019 184.8688 9.3005 4.9610 8.2946 8.1589 14.1644 1.7500 8.3403 10.1492 4.3212 7.3982 46.3172 12.3701 42.9430 117.6690 55.5276 5.4154 107.5717 305.4730 28.5446 135.5941 377.2837 1.8042 32.4806 12.6585 107.3903 109.8842 165.4267 10.3327 11.2321 1.9105 49.2880 39.7651 3.7808 17.6194 29.4448 135.6564 10.3939 12.5366 235.8130 70.6723 94.2732 44.3182 18.3021 15.3147 60.2915 224.0931 18.8503 16.4246 20.1584 610.8719 427.0297 358.3658 385.6715 9.3281 25.3851 10.5426 17.9228 7.5839 21.2715 11.0991 4.8761 13.7338 1.0217 17.0781 0.0591 1.8426 2.5425 16.3518 1.0667 1.1584 0.1077 0.1769 3.4618 4.3506 114.3406 3.4100 0.4380 5.5421 3.8808 3.0961 3.9411 0.5543 1.1965 5.1307 4.0831 3.0671 0.5213 2.5989 0.3764 1.7744 2.4280 0.7034 2.2137 1.6685 2.4029 4.2983 1.6157 0.7824 1.1925 4.4478 0.3827 6.0188 2.9212 4.0115 9.4227 0.8801 4.2420 0.4593 3.7895 0.8596 1.4975 4.5718 5.3330 5.0700 3.2561 1.6058 1.1243 1.6206 2.6761 4.3181 6.8461 15.8834 3.8309 5.9264 7.8641 11.9735 11.5135 6.4896 24.8887 10.5961 16.8015 15.0329 2.7885 7.4697 9.6505 0.9506 18.6656 12.2765 5.3844 6.7399 58.4480 12.0744 1.4113 1.9816 1.9337 2.6648 20.7475 10.8774 2.2753 7.1413 4.3794 1.3202 1.2471 2.8719 3.8798 31.5183 27.1163 1.4862 16.6302 9.0390 17.1715 1.0109 1.9691 6.1335 31.9666 15.0797 64.5819 3.2775 7.6286 159.9440 4.7837 9.4486 48.8277 48.3615 9.1464 5.9768 38.6433 0.4734 4.3636 1.8139 17.3838 154.2260 7.9442 2.1997 9.4373 15.3454 22.3166 60.2322 6.1707 13.5352 24.1034 37.3726 13.8393 9.6068 53.5900 39.9619 38.2383 1.4723 16.5640 64.5270 3.3242 44.1015 19.1019 80.9254 65.0260 40.5863 0.6856 30.2148 30.9061 107.9282 151.3429 51.7474 95.6152 90.7243 55.1867 157.4398 73.0814 45.5466 45.8417 63.7059 49.3754 46.5814 99.4568 156.8815 54.9393 52.5837 63.7856 219.1500 63.9935 84.4316 38.9238 0.7454 0.6690 0.7359 0.6975 0.7416 0.7404 0.6861 0.7361 0.7314 0.7231 0.6551 0.7421 0.7317 0.5257 0.7386 0.4603 0.7241 0.6448 0.7409 0.4631 0.6260 0.3132 0.2092 0.7070 0.3194 0.5894 0.6933 0.3521 0.2793 0.6127 0.2229 0.4044 0.7440 0.2108 0.7084 0.5582 0.2377 0.3457 0.7463 0.7178 0.6655 0.2837 0.7421 0.3975 0.7475 0.7462 0.0798 0.6719 0.1285 0.1245 0.5204 0.2635 0.6117 0.3233 0.5085 0.2348 0.2953 0.6326 0.2997 0.3467 0.1129 0.4814 0.1141 0.1801 0.4759 0.2454 0.2165 0.7479 0.7006 0.6730 0.4785 0.1167 0.0372 0.3168 0.7463 0.6801 0.7480 0.7251 0.3727 0.7063 0.1842 0.3163 0.1226 0.1204 0.0477 0.1379 0.6088 0.6849 0.1524 0.2098 0.4380 0.2077 0.6097 0.3150 0.3323 0.3263 0.7334 0.6031 0.2876 0.2412 0.7404 0.1963 0.6282 0.7262 0.7110 0.6144 0.1980 0.5139 0.6164 0.3180 0.5848 0.2571 0.4997 0.7500 0.1007 0.6065 0.3912 0.6806 0.7380 0.2618 0.1784 0.2378 0.5938 0.2978 0.7499 0.6677 0.1463 0.4248 0.5749 0.4296 0.3398 0.5916 0.1442 0.2832 0.0382 0.0402 0.7490 0.7349 0.2249 0.7286 0.3498 0.5991 0.4811 0.5307 0.6734 0.2736 0.3096 0.3723 0.1580 0.3647 0.2221 0.7313 0.2089 0.2190 0.2536 0.2639 0.8542 0.8017 0.8478 0.8218 0.8516 0.8508 0.8138 0.8480 0.8449 0.8393 0.7916 0.8520 0.8451 0.6891 0.8497 0.6304 0.8399 0.7840 0.8512 0.6331 0.7700 0.4770 0.3460 0.8284 0.4841 0.7417 0.8189 0.5208 0.4367 0.7599 0.3645 0.5759 0.8532 0.3482 0.8293 0.7165 0.3841 0.5138 0.8547 0.8358 0.7992 0.4420 0.8519 0.5689 0.8555 0.8547 0.1477 0.8037 0.2277 0.2214 0.6846 0.4171 0.7591 0.4887 0.6742 0.3803 0.4560 0.7750 0.4612 0.5149 0.2029 0.6499 0.2049 0.3052 0.6449 0.3941 0.3560 0.8557 0.8239 0.8045 0.6473 0.2091 0.0718 0.4812 0.8547 0.8096 0.8559 0.8407 0.5430 0.8279 0.3111 0.4806 0.2185 0.2149 0.0911 0.2424 0.7569 0.8130 0.2644 0.3468 0.6091 0.3440 0.7575 0.4791 0.4989 0.4920 0.8462 0.7524 0.4467 0.3887 0.8509 0.3281 0.7717 0.8414 0.8311 0.7612 0.3305 0.6789 0.7627 0.4826 0.7380 0.4090 0.6664 0.8571 0.1830 0.7551 0.5624 0.8099 0.8493 0.4149 0.3028 0.3843 0.7451 0.4590 0.8571 0.8007 0.2553 0.5963 0.7300 0.6011 0.5073 0.7434 0.2520 0.4415 0.0735 0.0772 0.8565 0.8472 0.3673 0.8430 0.5183 0.7493 0.6496 0.6934 0.8048 0.4296 0.4728 0.5426 0.2729 0.5344 0.3634 0.8448 0.3457 0.3593 0.4046 0.4176 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 6 6 6 6 6 6 6 7 6 6 1 6 6 6 6 6 6 6 7 1 6 8 6 6 8 6 6 6 6 6 6 7 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 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 1.00783 9878.6565 20221.7168 26575.9514 0.99998 0.00065 0.00548 -0.00059 0.99993 -0.01204 -0.00549 0.01204 0.99991 1 0.00877 0.00428 0.00326 0.18269 0.08925 0.06791 17.00 27.55 32.10 46.11 54.75 57.19 74.67 80.14 89.91 100.75 150.86 172.41 214.73 222.61 239.24 265.02 297.63 304.03 338.51 353.10 364.55 419.83 436.76 451.73 456.13 493.51 529.96 599.58 607.00 622.83 661.17 669.52 714.11 718.57 727.02 736.97 779.72 810.11 817.46 823.53 829.48 835.07 872.41 898.11 948.18 984.76 1021.39 1046.59 1084.55 1102.96 1117.78 1139.82 1153.39 1190.71 1202.17 1214.08 1222.73 1240.07 1261.67 1264.29 1298.98 1337.84 1382.29 1393.14 1413.09 1423.61 1437.32 1454.94 1488.09 1502.92 1548.94 1568.67 1571.98 1579.37 1595.40 1607.29 1608.37 1611.62 1628.54 1631.67 1663.05 1674.97 1686.92 1701.16 1708.35 1709.69 1717.15 1737.18 1781.76 1793.38 1837.62 1846.81 1879.31 1888.58 1892.24 1903.72 1911.43 1928.55 1930.34 1993.74 2007.49 2052.26 2092.93 2096.19 2103.78 2142.07 2147.18 2204.78 2241.52 2253.99 2256.58 2258.78 2264.24 2289.66 2291.73 2345.72 2348.00 2351.30 2359.89 2364.27 2369.65 2372.26 2398.14 2417.36 2510.37 2545.15 2564.18 2572.37 2604.82 2606.94 2629.48 2701.43 2868.97 2957.34 4613.03 4620.48 4696.19 4706.26 4716.34 4726.78 4731.08 4769.77 4796.45 4834.93 4846.83 4860.22 4867.10 4875.79 4876.74 4882.95 4885.87 4887.09 4921.30 4947.21 4950.37 5498.36 0.460107 0.486332 0.487276 0.398651 -1421.532133 -1421.505908 -1421.504964 -1421.593589 2.972497D-04 MUNgauss RevisionA2.0 retrievium 13-Jan-2021 DUDE Cc1cccc(c1)N(C[C@H]2C=c3cccc(c3=[NH+]C2=O)C)C(=O)c4ccc(cc4)[N+](=O)[O-] C38898249 RHF 6-31G(d) (6D,10F) C1 428.161031 |X|Y|Z| 99.204767 66.999731 33.648074 60.699988 25 6 7 23 2 |36.858105| |12.606569|36.858105| |7.546740|13.696531|36.858105| |5.013703|7.895727|13.767032|36.858105| |4.424899|6.816150|7.933510|13.756108|36.858105| |5.014342|7.895386|6.897274|7.967363|13.753522|36.858105| |7.555600|13.711853|7.974612|6.896744|7.929133|13.748415|36.858105| |3.837576|5.112239|4.530466|5.127325|7.770753|13.202045|7.793041|53.358707| |3.177598|4.034208|3.784554|4.377170|6.240390|7.735267|5.388888|18.026652|36.858105| |3.004154|3.592989|3.265282|3.525805|4.459419|5.486361|4.626684|10.089591|11.972627|36.858105| |2.750286|3.188012|2.871450|3.051337|3.775640|4.634422|4.062732|8.764655|8.762712|17.612531|0.500000| |2.580984|3.028442|2.884105|3.159871|3.827928|4.222415|3.619062|6.871911|7.696890|12.816699|0.250075|36.858105| |2.569705|2.974405|2.877743|3.108619|3.583796|3.805863|3.399550|5.621048|5.533774|7.615348|0.161371|14.106389|36.858105| |2.200367|2.499024|2.483125|2.692750|3.004441|3.051358|2.753100|4.406034|4.124552|4.964522|0.117227|7.777065|13.162329|36.858105| |2.129947|2.377352|2.387942|2.547330|2.735481|2.734231|2.537492|3.794957|3.354302|3.877266|0.093434|5.214527|7.890817|14.222111|36.858105| |2.357008|2.602766|2.600536|2.703807|2.829758|2.848078|2.725415|3.819647|3.251927|3.764185|0.089685|4.633488|6.896730|7.966507|13.298279|36.858105| |2.793610|3.102881|3.022531|3.078583|3.234788|3.355177|3.279004|4.426241|3.718668|4.444377|0.102588|5.147242|7.668846|6.649541|7.680279|13.932868|36.858105| |2.978711|3.419662|3.243075|3.368951|3.749161|4.063378|3.842214|5.600086|4.987660|6.625803|0.141061|7.899141|13.138096|7.632638|6.751424|8.041859|13.472847|36.858105| |3.575895|4.132251|3.681736|3.690775|4.167433|4.905181|4.874650|6.702789|5.584483|7.733766|0.161619|6.924516|7.927781|5.133256|4.580231|5.285711|7.960226|14.228683|53.358707| |3.972941|4.399771|3.812009|3.633034|3.909311|4.587178|4.955144|5.920925|4.547652|5.693555|0.129881|5.080510|5.748082|4.217893|4.009285|4.850950|7.381872|9.390255|25.922168|0.500000| |3.577389|4.197281|3.604953|3.659768|4.388762|5.674360|5.465034|8.859234|7.397597|12.658205|0.252655|7.643024|6.666412|4.429110|3.754211|3.967212|5.127243|7.821200|18.501937|0.260948|36.858105| |3.896817|4.378179|3.556638|3.458112|4.042564|5.440700|5.839524|8.346161|5.897229|8.010699|0.206746|5.319180|4.746814|3.497275|3.083405|3.287374|4.132274|5.495864|11.579602|0.219760|16.130228|73.516695| |3.069234|3.270520|3.149544|3.049699|3.061072|3.188636|3.299568|4.040076|3.184277|3.652173|0.087161|3.843691|4.913450|4.353493|4.923559|7.552906|12.605200|7.484330|9.007277|0.212244|4.461544|6.943804|36.858105| |3.459070|4.309407|3.812642|4.164987|5.657308|7.880207|6.056411|18.671572|7.681834|5.418399|0.150833|3.969650|3.280880|2.695247|2.352329|2.346799|2.652324|3.223631|5.106581|0.095513|4.825417|8.840562|2.467717|36.858105| |3.653433|4.498701|3.970112|4.231662|5.422341|7.076840|6.026528|11.498925|5.378424|4.118124|0.113653|3.218273|2.781282|2.346287|2.096445|2.113968|2.375838|2.792457|4.387142|0.084862|3.919268|7.377100|2.266513|16.037623|73.516695| |2.781416|3.261523|2.945581|3.177450|4.043127|5.020459|4.228887|10.464349|6.548804|5.290408|0.167064|3.965897|3.166886|2.642278|2.273928|2.219450|2.459584|2.989646|4.600852|0.085078|4.387669|8.010574|2.254587|12.637544|14.442273|36.858105| |2.383615|2.759067|2.587226|2.835862|3.520170|4.001723|3.380281|7.398258|5.089566|4.133788|0.127274|3.414442|2.779874|2.412764|2.087671|2.007375|2.170665|2.573309|3.805831|0.070845|3.420232|6.076972|1.986259|7.629596|11.154380|13.719678|36.858105| |2.065603|2.326057|2.188649|2.362282|2.827993|3.149113|2.768806|5.498617|4.025865|3.588820|0.114048|3.100931|2.547000|2.259447|1.959539|1.866345|1.990934|2.332585|3.392268|0.063416|2.997275|5.337957|1.819603|5.047907|7.821105|7.930979|13.768774|36.858105| |2.022788|2.238269|2.072961|2.194094|2.590391|2.941236|2.666384|5.103672|3.803995|3.685804|0.123335|3.164315|2.590644|2.285449|1.979056|1.888046|2.020869|2.377153|3.479397|0.065111|3.116229|5.646199|1.847353|4.484256|6.876049|6.946613|8.009352|13.782103|36.858105| |2.243167|2.473278|2.235585|2.330863|2.763147|3.261377|3.013424|5.792354|4.261768|4.383525|0.155962|3.552968|2.873281|2.461494|2.123862|2.050806|2.235834|2.676004|4.028433|0.075223|3.762724|7.041797|2.048149|5.030945|7.435542|7.926244|6.843697|7.869048|13.785435|36.858105| |2.666880|3.013799|2.666204|2.783941|3.401240|4.242777|3.855721|8.177125|5.612003|5.525713|0.196816|4.059673|3.227201|2.668590|2.293301|2.245125|2.502455|3.062707|4.783725|0.088643|4.727148|9.062098|2.296406|7.572130|10.102462|13.704166|7.906416|6.844373|8.010133|13.764937|36.858105| |1.760165|1.914672|1.789960|1.881940|2.169084|2.405388|2.221168|3.983033|3.014030|3.011231|0.098471|2.716821|2.285719|2.071344|1.813319|1.720756|1.815653|2.094915|3.010987|0.056862|2.610694|4.710713|1.665526|3.336533|5.324648|4.531924|5.129675|7.776183|13.036076|7.784485|5.132029|53.358707| |1.635580|1.779577|1.685454|1.782689|2.040293|2.216093|2.036756|3.600794|2.722711|2.655239|0.084142|2.450598|2.090901|1.926680|1.698280|1.605393|1.677975|1.913362|2.718106|0.051513|2.309748|4.126128|1.541956|3.002774|4.896602|3.912709|4.686654|7.100388|8.389672|5.432078|4.098956|21.770831|73.516695| |1.708230|1.835486|1.705292|1.773073|2.022011|2.252467|2.117575|3.676880|2.794692|2.908215|0.095936|2.643885|2.248929|2.042404|1.796587|1.709849|1.804302|2.073477|2.981815|0.056591|2.575010|4.688965|1.660195|3.001111|4.805264|3.914921|4.098830|5.428371|8.389686|7.114014|4.692748|21.742215|15.996000|73.516695| |17.548256|8.872947|6.360919|4.494279|3.993254|4.435065|6.204918|4.781550|2.885009|2.690714|0.069777|2.321345|2.282837|1.981707|1.913427|2.085212|2.417995|2.575947|4.116897|0.091092|3.096933|6.021489|2.612445|3.325268|6.491989|2.689858|2.337425|2.028965|1.975464|2.170182|2.558611|2.347037|2.862801|2.965812|0.500000| |17.576459|8.825955|5.610516|4.183135|3.953732|4.715552|7.146137|5.207454|3.194890|3.140897|0.080752|2.659448|2.641819|2.237845|2.159672|2.400358|2.881782|3.100786|5.221956|0.121670|3.887614|7.894108|3.194294|3.468350|6.375446|2.846629|2.401438|2.099478|2.090783|2.358966|2.811218|2.477097|2.979441|3.168092|0.302424|0.500000| |17.570502|8.831657|7.027237|4.679359|3.951537|4.206025|5.672054|4.487714|2.852014|2.734402|0.069235|2.422847|2.468139|2.148340|2.117850|2.376537|2.804550|2.890017|4.595601|0.105632|3.234781|6.089449|3.176239|2.952436|5.456204|2.439473|2.128920|1.869210|1.833433|2.015453|2.351671|2.198141|2.682239|2.796453|0.302310|0.301203|0.500000| |6.999535|8.909966|17.709687|8.941093|5.649703|4.964027|5.659137|4.910330|3.133231|2.786259|0.069050|2.526937|2.562237|2.265033|2.219527|2.433177|2.784345|2.886775|4.351844|0.093294|3.066881|5.404057|2.970738|3.151560|5.869635|2.531343|2.267074|1.953262|1.857895|1.988729|2.323291|2.214593|2.739431|2.768042|0.172148|0.142161|0.209179|0.500000| |4.090783|5.629654|8.925505|17.723733|8.931074|5.660466|4.964896|5.659479|3.763306|3.083724|0.074992|2.873524|2.864876|2.564159|2.457671|2.586140|2.860859|3.046127|4.364463|0.087387|3.126920|5.213328|2.823927|3.518069|6.361335|2.804072|2.582058|2.184755|2.019452|2.111707|2.465875|2.388469|2.985107|2.936439|0.105069|0.096356|0.110947|0.215915|0.500000| |3.541131|4.922593|5.644146|8.912246|17.709395|8.892340|5.636834|9.687706|6.494148|4.388524|0.104009|3.924772|3.605366|3.091199|2.772897|2.782080|3.082945|3.575596|5.159985|0.096345|4.009398|6.419921|2.832383|5.438346|8.990417|4.087929|3.718062|2.972396|2.664065|2.773881|3.355439|3.038065|3.770033|3.659427|0.091013|0.090028|0.089977|0.124283|0.215326|0.500000| |6.994504|8.904620|5.657322|4.966423|5.655171|8.958302|17.741491|9.822067|5.085990|4.722788|0.120054|3.572332|3.308588|2.662650|2.444391|2.621514|3.164561|3.743112|6.686701|0.141141|5.886681|12.697151|3.200674|6.149807|10.721645|4.470934|3.452104|2.861927|2.825692|3.293315|4.295977|3.188108|3.765901|4.008965|0.164973|0.215724|0.144200|0.124171|0.107763|0.124280|0.500000| |2.740466|3.366382|3.220577|3.727578|5.082339|5.779551|4.284311|12.428395|17.640024|8.844877|0.226339|6.862628|4.829958|3.853501|3.109206|2.921719|3.210784|4.130314|5.967651|0.102154|5.543825|8.380087|2.753547|7.305632|9.129668|7.420963|6.225914|4.853303|4.417551|4.726101|5.991856|4.656553|5.517779|5.492348|0.070728|0.076360|0.068917|0.075988|0.092452|0.156800|0.114666|0.500000| |3.175206|4.116782|4.085725|4.997656|7.312169|7.639684|5.191461|12.657740|17.654718|8.741189|0.175130|7.524408|6.000945|4.544956|3.706588|3.583301|4.062417|5.375887|7.636397|0.126813|6.372101|8.843641|3.409728|5.862491|8.159160|4.910472|4.168138|3.402445|3.182621|3.447284|4.263097|3.565773|4.299452|4.341558|0.079327|0.086651|0.080810|0.093695|0.120989|0.226311|0.127935|0.303637|0.500000| |2.293931|2.666720|2.578528|2.855069|3.442866|3.687390|3.139177|6.081295|6.663804|8.671516|0.213820|17.691723|9.082303|7.159361|4.773826|4.010471|4.162583|5.614052|6.774188|0.109657|5.502536|7.577497|3.217088|3.723212|5.399264|3.900804|3.516480|3.276520|3.327244|3.610120|3.951277|3.934758|4.672740|4.960063|0.058268|0.065156|0.059975|0.063442|0.073550|0.101372|0.085972|0.192763|0.179968|0.500000| |2.013309|2.281959|2.277087|2.492129|2.801813|2.826447|2.521375|4.170491|3.933174|4.571534|0.112791|7.099338|8.765617|17.733965|9.021169|5.627844|4.836534|5.505592|5.674832|0.097199|3.866508|5.583511|3.495504|2.612530|4.039000|2.622150|2.447019|2.324543|2.345473|2.481776|2.637975|2.921776|3.573884|3.749919|0.051006|0.056682|0.054360|0.057847|0.066530|0.081783|0.067934|0.107235|0.118551|0.216618|0.500000| |1.916513|2.117643|2.145833|2.288827|2.428828|2.399209|2.234208|3.324063|2.885985|3.234256|0.080197|4.185039|5.595655|9.027777|17.762117|8.788395|5.565107|4.894201|4.957510|0.091248|3.106418|4.677611|4.062076|2.104414|3.370408|2.050666|1.913218|1.813931|1.827720|1.936684|2.061905|2.307957|2.847408|2.989039|0.048308|0.053735|0.053195|0.056063|0.062239|0.068972|0.059821|0.076001|0.087926|0.112188|0.214533|0.500000| |2.216077|2.402105|2.421734|2.487654|2.540676|2.529680|2.458325|3.347287|2.771328|3.116986|0.076069|3.673118|4.964750|5.700011|8.858482|17.716673|9.079418|5.696243|5.786120|0.114143|3.308781|5.062698|7.060462|2.094661|3.405520|1.980521|1.807878|1.689551|1.706756|1.841463|1.999797|2.135752|2.617406|2.777211|0.054748|0.062440|0.062967|0.064144|0.066973|0.069210|0.065688|0.070000|0.084197|0.091160|0.124521|0.216060|0.500000| |2.734396|2.866971|2.826502|2.745233|2.706602|2.754183|2.833661|3.494292|2.742053|3.066014|0.074750|3.276609|4.118336|3.933846|4.698957|7.266255|8.893576|5.548799|6.584402|0.148239|3.570705|5.686112|17.620092|2.178739|3.597721|2.007290|1.796538|1.659035|1.679943|1.841008|2.035729|2.083117|2.536815|2.714379|0.065748|0.078042|0.079893|0.075847|0.072277|0.070499|0.076073|0.067335|0.081812|0.078799|0.089685|0.113125|0.225641|0.500000| |3.612671|3.888680|3.768744|3.561689|3.473974|3.587835|3.795217|4.348816|3.329040|3.661320|0.086443|3.695404|4.507672|3.896399|4.219038|5.862412|8.816731|6.665251|8.998910|0.223410|4.538624|7.172231|17.546925|2.622900|4.324898|2.335609|2.047250|1.851108|1.860674|2.060141|2.342686|2.264308|2.743267|2.926847|0.083261|0.102866|0.105740|0.098771|0.090506|0.087011|0.099716|0.078687|0.100270|0.085954|0.089053|0.098564|0.152505|0.303001|0.500000| |3.065637|3.162998|2.944217|2.797382|2.831491|3.038514|3.225891|3.913250|3.037692|3.579001|0.087570|3.652178|4.476903|3.896468|4.239908|5.910513|8.808183|6.597015|8.903820|0.227946|4.545230|7.368523|17.537101|2.429555|3.973147|2.242645|1.961764|1.809300|1.859493|2.084679|2.328899|2.288970|2.751149|3.006075|0.072637|0.091380|0.087421|0.077129|0.071270|0.072417|0.089812|0.073371|0.087440|0.085151|0.089038|0.099199|0.154518|0.303279|0.300337|0.500000| |2.368390|2.771131|2.661077|2.976553|3.703227|4.024040|3.331451|7.062028|4.762624|3.702727|0.108437|3.153858|2.626371|2.312151|2.019288|1.943185|2.088293|2.442488|3.572556|0.066923|3.115893|5.471644|1.919156|7.088183|11.409380|8.905395|17.736087|8.934661|5.678035|4.938839|5.633127|5.662505|7.167385|6.049927|0.065012|0.065114|0.058970|0.064859|0.076167|0.111688|0.091620|0.159432|0.114104|0.090214|0.065187|0.051692|0.048877|0.048510|0.055356|0.052178|0.500000| 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