Version2.1 2020-12-29T02:20:07Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 30-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccccc1[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)c4ccc(cc4)C(=O)C)[C@@]([NH2+]2)(CC(C)C)C(=O)[O-] C43211880 RHF 6-31G(d) (6D,7F) Cc1ccccc1[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)c4ccc(cc4)C(=O)C)[C@@]([NH2+]2)(CC(C)C)C(=O)[O-] C01[X(C26H28N2O5)] 177 C1 551 CC(C[C@@]1([NH2+][C@H]([C@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C)c1ccccc1C)C(=O)[O-])C CC(C[C@@]1([NH2+][C@H]([C@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C)c1ccccc1C)C(=O)[O-])C CC(C)C[C@@]1([NH2+][C@H]([C@H]2[C@H]1C(=O)N(C2=O)c3ccc(cc3)C(C)=O)c4ccccc4C)C([O-])=O InChIKey=OHBMEXWQXXMHOM-QILISPFLSA-N InChI=1S/C26H28N2O5/c1-14(2)13-26(25(32)33)21-20(22(27-26)19-8-6-5-7-15(19)3)23(30)28(24(21)31)18-11-9-17(10-12-18)16(4)29/h5-12,14,20-22,27H,13H2,1-4H3,(H,32,33)/t20-,21+,22+,26+/m1/s1 InChI=1/C26H28N2O5/c1-14(2)13-26(25(32)33)21-20(22(27-26)19-8-6-5-7-15(19)3)23(30)28(24(21)31)18-11-9-17(10-12-18)16(4)29/h5-12,14,20-22,27H,13H2,1-4H3,(H,32,33)/t20-,21+,22+,26+/m1/s1/f/h27H Cc1ccccc1[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)c4ccc(cc4)C(=O)C)[C@@]([NH2+]2)(CC(C)C)C(=O)[O-] C01[X(C26H28N2O5)] 177 C01 551 CC(C[C@@]1([NH2+][C@H]([C@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)C(=O)C)c1ccccc1C)C(=O)[O-])C CC(C[C@@]1([NH2][C@H]([C@H]2[C@H]1C(=O)N(C2=O)[C]1[CH][CH][C]([CH][CH]1)C(=O)C)[C]1[CH][CH][CH][CH][C]1C)[C]([O])=O)C C[C]1[CH][CH][CH][CH][C]1[C@@H]2[NH2][C@@](CC(C)C)([C@H]3[C@H]2C(=O)N([C]4[CH][CH][C]([CH][CH]4)C(C)=O)C3=O)C([O])=O InChIKey=JMPYTPDTQPKCMB-QILISPFLSA-N InChI=1S/C26H28N2O5/c1-14(2)13-26(25(32)33)21-20(22(27-26)19-8-6-5-7-15(19)3)23(30)28(24(21)31)18-11-9-17(10-12-18)16(4)29/h5-12,14,20-22H,13,27H2,1-4H3/t20-,21+,22+,26+/m1/s1 InChI=1/C26H28N2O5/c1-14(2)13-26(25(32)33)21-20(22(27-26)19-8-6-5-7-15(19)3)23(30)28(24(21)31)18-11-9-17(10-12-18)16(4)29/h5-12,14,20-22H,13,27H2,1-4H3/t20-,21+,22+,26+/m1/s1 3404.9087803504 -1484.1114973 1-A 18262.1546 119 432 551 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -20.58273 -20.57208 -20.55281 -20.49553 -20.48410 -15.69793 -15.63976 -11.39951 -11.39268 -11.34436 -11.33408 -11.32942 -11.31721 -11.29836 -11.28863 -11.28784 -11.27080 -11.26965 -11.25328 -11.25310 -11.25276 -11.25259 -11.24840 -11.24806 -11.24725 -11.24712 -11.24704 -11.24674 -11.24535 -11.24251 -11.23022 -11.22844 -11.22085 -1.45446 -1.43412 -1.39940 -1.39153 -1.34217 -1.30552 -1.28108 -1.18749 -1.18286 -1.14565 -1.12233 -1.08490 -1.06719 -1.05555 -1.03662 -1.02870 -1.00261 -0.97417 -0.95972 -0.94783 -0.94104 -0.91600 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6.5530 2.3897 6.2892 4.5377 5.7850 5.7019 5.3474 4.6964 4.1306 3.4289 3.7896 4.1185 1.7897 2.2677 5.9778 3.5115 3.7942 3.9358 2.0964 1.4905 1.6178 3.4238 1.4393 1.8469 1.4699 1.9160 2.0881 2.2743 1.8342 4.5472 1.3722 1.6880 1.3994 1.6440 2.1112 3.3537 1.3685 1.8611 2.3216 1.5307 2.3484 2.3504 2.7540 1.9552 2.6121 3.8230 2.1245 2.4214 1.9227 2.6217 1.8305 1.6930 1.6587 1.6429 2.1632 2.0653 1.7234 2.2768 1.8187 1.3735 3.3676 1.4232 1.6431 1.4530 1.3275 1.5989 1.6359 1.9148 1.5503 1.4638 2.5822 1.7065 1.3937 1.5645 1.4339 1.5559 1.2835 2.5945 1.2478 1.8486 1.8770 1.0516 1.0964 1.0473 1.0544 1.0576 1.0499 1.0692 1.1521 1.0536 2.1122 2.5252 6.5483 5.5077 1.4446 2.4218 5.4307 8.9920 11.5431 12.9508 13.0292 1.0816 1.0727 1.0542 1.0417 1.0445 1.0392 1.0841 1.0842 1.0915 1.0965 1.0922 1.0942 1.1012 1.1013 1.1007 1.1009 1.0878 1.1024 1.0881 1.0917 1.0740 1.0941 1.0900 1.0985 1.0904 1.0963 1.0960 1.0795 0.0021 0.0023 0.0020 0.0037 0.0044 0.0076 0.0111 0.0115 0.0211 0.0184 0.0220 0.0742 0.0599 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6.6740 6.6883 6.8093 6.8681 6.8479 6.8991 6.9606 6.9632 7.0184 7.0488 7.0767 7.1978 7.2458 7.2966 7.2093 7.3653 7.3949 7.4587 7.4573 7.5242 7.5645 9.0169 1.9560 1.3639 2.8859 2.6057 0.6534 0.7936 2.3245 1.4777 0.5952 1.5280 0.6085 4.3285 16.4762 4.8937 4.7988 2.2623 7.7470 0.1595 2.2648 0.3198 5.3089 3.6800 0.7934 0.0609 2.6138 2.5439 0.8132 6.0235 1.9258 1.7795 14.5984 15.7967 25.0202 3.2978 1.9428 8.4595 2.1802 2.1077 12.3386 13.1845 10.2140 2.9550 6.0221 5.9388 8.8754 2.9520 1.8790 27.1238 1.4753 17.0763 1.3829 7.9031 1.0846 45.0622 20.2779 15.8692 1.6197 3.0723 8.1593 2.2819 28.2798 41.0195 5.5479 12.3739 13.2442 57.9187 29.4020 10.6903 37.5871 38.8260 14.4001 45.2761 14.0602 2.8766 20.2197 25.5110 5.0459 2.3545 4.1198 1.5278 1.7751 2.0769 6.6910 10.3560 0.1167 1.1144 3.5451 2.7512 3.3002 7.3844 3.2147 3.5826 3.0544 90.6954 16.4361 1.1035 42.9158 38.9111 10.9518 6.3143 5.8856 61.6780 50.5469 37.4517 31.8201 15.7472 1.0302 5.2471 252.0219 27.2814 43.5519 155.4064 9.7555 78.5005 124.6895 106.0356 110.7387 43.4531 228.2413 167.9968 48.3283 16.2807 9.4903 85.6551 17.6739 41.5316 10.8510 41.1775 4.4307 8.2585 7.5869 9.3414 3.5119 9.5308 5.4389 2.9049 20.3142 14.0628 17.8389 54.0752 11.8886 3.3901 62.0282 31.4140 92.3413 344.9840 259.9289 761.3829 124.5318 7.2276 25.3476 39.6136 41.4693 29.8271 3.8749 1.0626 5.2189 10.2385 18.4424 28.0845 45.2656 38.5032 14.5713 42.3325 23.2967 11.5253 18.2617 5.2719 3.5549 207.7667 11.1067 10.6859 24.7389 1.8702 2.9719 3.4237 45.3863 2.1568 0.5904 3.9566 5.1342 2.2596 2.7580 1.0341 0.4184 2.5716 0.2148 0.1243 0.1343 1.4447 0.0958 1.0896 2.6842 1.1031 0.0361 1.6304 0.5368 2.0975 1.8218 1.0753 0.0483 0.7700 1.7880 0.8973 0.9139 1.6028 1.0579 2.1478 1.2727 0.8065 1.7211 2.3395 0.7377 0.7171 0.7708 0.6783 1.0232 1.7662 0.3453 1.4499 4.4819 0.4194 2.8807 1.9061 1.9492 9.4783 0.9464 3.7795 4.9758 6.1363 1.4957 7.1661 2.1318 1.1046 0.6875 2.6473 9.5856 3.7978 10.7687 15.3987 5.3000 1.6267 5.7804 1.4491 2.7609 2.3337 3.9292 1.5991 4.6165 6.6590 9.9668 9.9981 2.6428 7.8759 2.1916 1.5206 2.9307 0.5509 0.5201 0.4501 3.9100 0.3364 4.5185 20.8284 0.4901 22.3339 1.2126 4.1438 3.0660 1.8888 4.4501 10.3131 11.7933 0.7556 9.0603 11.1652 5.7539 12.3844 1.2909 4.6628 1.1891 1.5182 21.7806 1.8913 3.0700 44.7450 2.4397 1.9653 2.0557 1.1780 3.7806 10.7544 35.2957 4.8889 9.4542 14.5455 11.1560 4.5872 9.0809 1.4601 5.0813 7.9082 4.4716 1.2917 16.0845 1.1760 11.2676 5.2522 22.7151 18.4112 19.7314 11.3696 27.7851 6.1367 5.8676 1.9079 0.8685 2.1735 14.7813 8.8204 35.6558 258.5644 1.9053 57.2537 2.0160 21.5301 24.2067 34.6237 66.8231 127.7383 111.3715 97.2646 22.4351 69.2730 22.3197 66.3509 33.6231 130.1211 88.3539 44.3124 57.9331 72.4079 24.5813 127.2691 40.2825 91.1537 35.2914 65.6158 48.9120 246.0807 40.7135 69.4008 95.4683 46.1122 0.7494 0.7461 0.7428 0.7496 0.7500 0.7425 0.7391 0.6988 0.7236 0.7354 0.7479 0.7177 0.6478 0.6349 0.7454 0.4628 0.6887 0.0959 0.3881 0.5132 0.2820 0.0692 0.6881 0.7450 0.6290 0.6540 0.6641 0.5189 0.6626 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0.6567 0.7396 0.6271 0.6188 0.8542 0.7880 0.6010 0.8070 0.4800 0.5009 0.5954 0.3254 0.3859 0.1624 0.0463 0.0615 0.0190 0.2053 0.8404 0.5965 0.7127 0.5364 0.3433 0.8570 0.8571 0.8522 0.7721 0.2761 0.6929 0.8550 0.7351 0.2418 0.7251 0.7224 0.2250 0.8459 0.2553 0.2581 0.4339 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 61 6 6 6 6 6 6 6 6 1 6 1 6 1 6 8 7 6 8 6 6 6 6 6 6 6 8 6 6 7 1 1 6 6 6 6 6 8 8 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 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 1.00783 1.00783 10055.6395 24295.2199 30832.9707 0.99992 0.00703 0.01078 -0.00710 0.99995 0.00648 -0.01073 -0.00656 0.99992 1 0.00861 0.00357 0.00281 0.17948 0.07428 0.05853 34.32 39.47 42.81 49.37 63.83 76.25 92.11 102.48 105.88 110.74 125.22 177.86 181.61 198.48 225.26 254.97 265.14 272.23 278.04 302.36 312.64 321.82 355.91 362.81 389.48 405.59 431.07 436.39 462.95 492.75 510.61 573.03 589.89 620.23 636.34 642.35 656.27 661.32 682.57 734.31 746.53 760.26 799.36 826.44 835.41 849.80 902.39 930.20 941.39 947.43 990.01 996.65 1002.35 1074.99 1112.13 1123.76 1148.78 1167.28 1184.26 1221.15 1242.07 1250.97 1259.74 1275.60 1282.65 1311.39 1355.43 1361.71 1373.29 1425.10 1444.11 1451.60 1466.17 1478.31 1513.02 1514.66 1517.25 1536.89 1571.93 1577.23 1595.80 1603.30 1611.17 1621.55 1655.73 1667.04 1669.85 1688.39 1707.57 1724.69 1728.20 1735.70 1742.74 1764.45 1783.32 1800.11 1808.37 1823.53 1868.06 1871.69 1873.04 1890.82 1893.59 1913.31 1922.03 1937.23 1961.90 1987.55 2009.17 2029.00 2084.65 2093.56 2102.16 2116.17 2141.71 2155.13 2159.96 2173.58 2191.46 2198.58 2226.38 2230.07 2244.62 2253.96 2260.91 2264.44 2265.92 2284.48 2324.65 2327.14 2331.70 2338.22 2354.89 2363.31 2365.38 2374.70 2376.01 2397.89 2414.64 2439.12 2553.00 2561.29 2596.10 2611.50 2614.04 2834.27 2863.90 2904.45 2995.71 4519.69 4547.69 4566.87 4598.04 4603.93 4626.60 4650.75 4655.64 4681.82 4691.18 4693.55 4706.71 4712.50 4713.27 4733.14 4742.99 4780.95 4789.65 4836.98 4845.91 4856.38 4863.42 4882.30 4884.21 4901.88 4910.68 4924.42 5417.26 0.539408 0.568152 0.569096 0.477621 -1483.572089 -1483.543345 -1483.542401 -1483.633876 3.068087D-04 MUNgauss RevisionA2.0 retrievium 29-Dec-2020 DUDE Cc1ccccc1[C@H]2[C@H]3[C@@H](C(=O)N(C3=O)c4ccc(cc4)C(=O)C)[C@@]([NH2+]2)(CC(C)C)C(=O)[O-] C43211880 RHF 6-31G(d) (6D,10F) C1 448.199822 |X|Y|Z| 68.933135 111.118616 34.102473 63.924437 20 6 7 18 2 |36.858105| |12.572782|36.858105| |7.607566|13.704917|36.858105| |5.022551|7.869008|13.769918|36.858105| |4.415564|6.803061|7.957158|13.775445|36.858105| |4.976689|7.877087|6.917839|7.971342|13.774859|36.858105| |7.443181|13.611430|7.958402|6.860646|7.896523|13.681702|36.858105| |6.390216|7.539915|5.026704|4.439398|5.020769|7.573747|12.576836|36.858105| |7.658625|7.283017|4.767130|3.980612|4.187297|5.609284|8.887684|17.671976|0.500000| |4.753670|5.247761|3.966065|3.679292|4.207018|5.880331|7.297625|12.523544|0.247991|36.858105| |4.083951|4.803488|3.866796|3.800939|4.593228|6.538369|6.854410|8.898788|0.174902|17.531902|0.500000| |3.815401|3.952052|3.132556|2.939339|3.309596|4.338813|5.041925|8.069255|0.199622|12.614694|0.248338|36.858105| |4.042229|3.919339|3.066357|2.794598|3.038832|3.866570|4.704983|7.487419|0.223899|9.003183|0.175348|17.429365|0.500000| |3.153809|3.207141|2.662012|2.529809|2.806243|3.475960|3.841108|5.199487|0.135044|8.036952|0.194818|12.606881|0.258459|36.858105| |2.654548|2.684808|2.291178|2.202598|2.429713|2.920172|3.134624|4.008504|0.106225|5.419240|0.141462|7.779987|0.185354|16.169235|73.516695| |3.424067|3.434467|2.846450|2.666806|2.902169|3.539646|3.988160|5.138533|0.135433|8.314374|0.198195|8.282832|0.198500|13.471639|14.707480|53.358707| |4.469872|4.526979|3.573904|3.254195|3.518943|4.426904|5.335584|7.015695|0.180793|12.646991|0.254845|8.114571|0.200079|8.087347|9.743329|18.545450|36.858105| |4.884578|4.748340|3.805729|3.368516|3.485129|4.170920|5.084045|5.844832|0.159826|7.811454|0.180323|5.495998|0.147562|5.472959|7.444623|11.238066|16.072095|73.516695| |2.891933|2.852845|2.457723|2.317965|2.472639|2.879172|3.155886|3.756116|0.101779|5.189696|0.134587|5.180183|0.134758|7.644211|11.802010|18.159661|7.648887|11.650889|36.858105| |2.878703|2.730510|2.369345|2.194152|2.275753|2.590622|2.889663|3.350370|0.094674|4.256251|0.107419|4.166390|0.116612|5.327837|8.541918|10.618127|6.174155|11.119838|13.731793|36.858105| |2.425179|2.312346|2.063185|1.932970|1.991114|2.212514|2.411270|2.702197|0.076028|3.279283|0.085791|3.237432|0.090188|4.007387|6.873417|7.006225|4.323953|7.958674|7.967424|13.802421|36.858105| |2.137044|2.087314|1.889400|1.804458|1.879650|2.075090|2.204556|2.444494|0.067385|2.969888|0.080422|2.968969|0.080454|3.735531|6.707095|6.169188|3.723385|6.603981|6.864331|7.907211|13.691419|36.858105| |2.145934|2.143775|1.935764|1.873572|1.988463|2.218040|2.320132|2.594886|0.069960|3.247458|0.090311|3.286538|0.085983|4.336912|8.007872|7.022873|3.996054|6.726366|7.967928|6.877300|7.952280|13.712013|36.858105| |2.441749|2.465699|2.183402|2.110467|2.274546|2.602753|2.739011|3.154188|0.083675|4.192518|0.116967|4.274622|0.107885|6.190635|11.087599|10.693636|5.324370|8.341752|13.765579|7.917003|6.876296|7.903654|13.766965|36.858105| |1.859224|1.813139|1.668852|1.601501|1.654351|1.795078|1.889435|2.054411|0.056861|2.409409|0.065705|2.408544|0.065816|2.898239|5.263954|4.545804|2.894317|5.213103|4.454944|5.058544|7.667699|12.686007|7.506385|5.007402|36.858105| |1.819649|1.752321|1.618926|1.542745|1.575986|1.698291|1.799782|1.943664|0.054407|2.234977|0.060320|2.223021|0.061685|2.604792|4.673254|4.072058|2.674658|4.916336|3.836422|4.588172|6.871918|8.125196|5.283434|4.006844|15.940316|73.516695| |1.663629|1.645476|1.529951|1.487511|1.546654|1.667066|1.725642|1.860501|0.050960|2.165531|0.060140|2.178033|0.058777|2.599751|4.813991|3.926758|2.513330|4.452362|3.656362|3.804226|4.937900|7.330032|6.367187|4.353775|12.585555|14.362520|36.858105| |3.500422|3.797248|3.083132|2.982911|3.466778|4.614685|5.015639|7.471928|0.173701|8.023045|0.203506|12.544091|0.249416|6.910504|10.080976|6.944931|5.200405|7.157424|3.736026|3.135779|2.585244|2.438260|2.696535|3.342657|2.048159|3.380431|1.898118|36.858105| |4.500001|5.150744|3.948360|3.740967|4.387814|6.305370|7.494914|12.410741|0.252306|8.189154|0.198595|8.208636|0.202519|5.014018|7.274572|5.940586|5.051635|7.395984|3.288744|2.889823|2.395566|2.223480|2.395431|2.891208|1.892071|3.168078|1.743894|12.278742|53.358707| |4.027284|4.900409|3.977539|3.987410|4.970056|7.360777|7.300711|8.916805|0.180876|6.690040|0.188954|6.290341|0.149633|4.339698|6.516191|5.233206|4.379976|6.592488|2.991948|2.620152|2.213748|2.087802|2.265976|2.710258|1.793225|2.995423|1.672075|9.484655|25.242780|0.500000| |4.481409|4.865598|3.776111|3.506281|3.939565|5.249119|6.332083|9.007279|0.236024|6.043242|0.145589|6.420351|0.180726|4.259777|6.439203|5.098451|4.243070|6.484314|2.931276|2.649627|2.224997|2.057295|2.185310|2.583995|1.771666|2.992405|1.633196|8.827599|25.801513|0.320363|0.500000| |2.970034|3.082338|2.580850|2.487289|2.797152|3.479647|3.754943|5.039742|0.133275|5.065642|0.128832|7.469595|0.198626|5.417678|9.093765|5.485755|3.902086|5.687123|3.186660|2.768002|2.343910|2.224313|2.429968|2.912989|1.903068|3.162542|1.776222|12.451768|10.050659|0.173380|0.202226|36.858105| |2.573437|2.718591|2.359963|2.328203|2.629970|3.164222|3.249431|3.961016|0.103799|3.810728|0.102680|4.799135|0.126875|3.870813|6.745786|4.212737|3.042311|4.622560|2.571301|2.273462|1.982192|1.910092|2.080425|2.425667|1.669638|2.785765|1.582815|7.219415|7.734975|0.153896|0.164631|12.378970|36.858105| |2.716597|2.915596|2.553376|2.530909|2.855891|3.401470|3.462647|4.018306|0.105567|3.554749|0.095922|4.085079|0.110282|3.235534|5.449125|3.731616|2.818995|4.398981|2.294264|2.069052|1.812448|1.734166|1.863470|2.146414|1.529182|2.573807|1.447216|5.875272|8.029571|0.169493|0.188428|7.397056|12.429546|36.858105| |2.228997|2.289576|2.018512|1.977845|2.178931|2.535400|2.626077|3.119334|0.084997|3.050709|0.081412|3.791439|0.105316|3.299712|6.014096|3.656160|2.585870|4.011590|2.314861|2.086617|1.851029|1.791304|1.932757|2.205552|1.586195|2.659814|1.510817|4.853196|5.492880|0.107367|0.119279|7.631870|12.430204|7.570752|36.858105| |2.998368|3.403094|2.913117|2.968116|3.607156|4.727294|4.510366|5.625177|0.125983|6.381043|0.205442|7.384430|0.151056|5.710935|8.959509|6.099543|4.472142|6.355978|3.458375|2.848283|2.414094|2.349726|2.663875|3.290587|1.990990|3.252145|1.884130|12.099643|10.507927|0.238891|0.162893|7.363997|6.230798|5.216608|4.284043|36.858105| |3.049626|3.619095|3.170469|3.347784|4.266290|5.668440|4.910713|5.503297|0.120513|5.501045|0.181282|5.486997|0.122329|4.318440|6.805893|5.052366|3.921143|5.852444|2.965346|2.518788|2.166694|2.105815|2.350435|2.825099|1.812447|2.986020|1.722148|8.078245|10.350896|0.299954|0.163644|5.675530|5.503474|5.358736|3.840548|15.354066|73.516695| |2.624374|2.903478|2.536239|2.583909|3.067618|3.814103|3.662147|4.432568|0.104486|5.414106|0.174873|6.507654|0.135326|6.120566|10.467296|6.281977|4.240309|6.030069|3.676639|2.943763|2.523025|2.514378|2.932200|3.666893|2.120643|3.417146|2.030459|8.119392|7.291329|0.155035|0.122168|6.193710|5.323300|4.229389|4.028938|15.759551|15.107140|73.516695| |17.560650|8.812192|5.914926|4.304060|3.955928|4.552289|6.601561|6.440374|0.220179|5.289184|0.121675|4.148545|0.123788|3.508261|5.162093|5.416235|5.430727|11.286505|3.349599|3.398431|2.796055|2.408648|2.395306|2.742808|2.067361|3.600938|1.822650|3.573555|5.934597|0.106230|0.117029|3.004114|2.539768|2.599004|2.213520|3.031910|5.322731|4.803259|0.500000| |17.526465|8.766739|5.891268|4.278701|3.923613|4.505868|6.541551|6.363912|0.235156|4.543944|0.106552|3.898272|0.119124|3.143702|4.748478|4.474626|4.122064|7.586575|2.761607|2.741737|2.315021|2.045956|2.057661|2.340069|1.785487|3.108791|1.602540|3.665104|6.546308|0.115937|0.141615|3.203365|2.769648|2.966067|2.407551|3.030432|5.445444|4.676232|0.300856|0.500000| |17.602799|8.879841|7.407537|4.817315|3.990468|4.174803|5.542417|4.707970|0.148634|3.780596|0.093672|3.142915|0.091956|2.698765|4.131395|3.996991|3.687936|7.312636|2.570982|2.606223|2.249219|1.988608|1.975641|2.204964|1.756495|3.084127|1.575367|2.921997|4.915412|0.092585|0.100956|2.549710|2.261133|2.395185|1.994645|2.574069|4.682927|4.074010|0.302800|0.303327|0.500000| |7.121979|8.940955|17.717465|8.951802|5.662071|4.975306|5.655382|4.093498|0.113139|3.361212|0.090021|2.747860|0.076082|2.388112|3.702506|3.493119|3.157434|6.101550|2.267862|2.231294|1.968003|1.795808|1.816821|2.018976|1.602721|2.788792|1.466961|2.677828|4.514977|0.091501|0.090163|2.305634|2.120920|2.287060|1.849760|2.517215|4.792595|3.967905|0.154469|0.154422|0.231630|0.500000| |4.108478|5.621665|8.931836|17.718930|8.911783|5.656624|4.945770|3.549984|0.090607|3.061837|0.088146|2.525340|0.067068|2.224855|3.499459|3.188824|2.786061|5.160791|2.081569|1.987401|1.778667|1.671629|1.728176|1.919517|1.500914|2.580171|1.402349|2.564716|4.227005|0.091835|0.082059|2.191245|2.081564|2.260035|1.796047|2.581607|5.146153|4.072427|0.099944|0.099497|0.114985|0.216410|0.500000| |3.535229|4.916642|5.648226|8.897812|17.730398|8.938768|5.632061|4.100434|0.096400|3.639382|0.113216|2.975430|0.075303|2.586130|4.055049|3.600670|3.097248|5.405503|2.292591|2.099767|1.862406|1.783012|1.898570|2.154837|1.581571|2.670763|1.494752|3.166451|5.192333|0.122568|0.095680|2.602427|2.505234|2.713626|2.087860|3.442018|7.383097|5.296782|0.090171|0.089485|0.090816|0.124294|0.213880|0.500000| |4.050690|5.609339|4.974329|5.671656|8.973066|17.704488|8.870359|7.013369|0.141331|6.096945|0.207959|4.678549|0.110516|3.737637|5.612939|4.992473|4.390106|7.003197|2.953716|2.588940|2.214743|2.108029|2.294829|2.723451|1.817283|3.028268|1.702653|5.282689|9.279129|0.248378|0.149033|3.836184|3.524331|3.726399|2.748938|6.006791|14.108972|8.255452|0.106922|0.105846|0.095729|0.107888|0.124531|0.217253|0.500000| |3.252334|2.974945|2.540693|2.300595|2.350342|2.680905|3.080467|3.596628|0.105268|4.423504|0.107035|4.250662|0.124718|5.025878|7.771247|9.734142|6.535115|12.673042|8.913926|17.766709|8.930820|5.633993|4.958097|5.642109|4.125911|7.057534|3.199202|3.176976|4.106581|0.074817|0.077718|2.808715|2.293032|2.114019|2.102362|2.798993|4.448015|5.002863|0.109910|0.085999|0.081473|0.066888|0.057592|0.059455|0.073053|0.500000| |2.339307|2.195033|1.974580|1.837631|1.867246|2.049997|2.243191|2.478458|0.070721|2.903687|0.075548|2.853605|0.081000|3.374375|5.787559|5.671410|3.723925|7.071549|5.657357|8.929519|17.761532|8.951518|5.664088|4.957220|7.189383|13.858120|4.584840|2.327493|2.990416|0.056453|0.057418|2.138811|1.828685|1.690044|1.722407|2.162135|3.495540|3.968362|0.074848|0.062113|0.061140|0.052968|0.047278|0.048481|0.056431|0.214770|0.500000| |1.940895|1.958391|1.790202|1.752886|1.867646|2.063232|2.122052|2.342203|0.062714|2.874584|0.081508|2.924487|0.075980|3.752180|7.110983|5.710734|3.375648|5.674260|5.678337|4.956769|5.641223|8.872866|17.746883|8.997016|6.872853|8.561855|7.227467|2.484471|2.999034|0.058657|0.056020|2.265037|1.976740|1.769791|1.848379|2.513566|3.970304|4.984268|0.059316|0.051850|0.049939|0.046730|0.045233|0.050088|0.059738|0.107655|0.124197|0.500000| |2.369978|2.447149|2.175565|2.136393|2.345631|2.702331|2.778369|3.200693|0.082864|4.296795|0.125584|4.463898|0.107790|6.546651|12.267317|9.836577|5.031078|7.581099|8.928205|5.641242|4.956925|5.631000|8.911465|17.758236|4.076605|5.937860|3.813103|3.594463|4.110429|0.079847|0.074061|3.099016|2.596671|2.268626|2.336317|3.703862|5.551410|7.679885|0.072675|0.063355|0.059224|0.055380|0.053919|0.062359|0.080405|0.124203|0.107650|0.216952|0.500000| |1.627776|1.613510|1.494239|1.455836|1.522914|1.650612|1.705611|1.855933|0.050770|2.165563|0.060168|2.221978|0.059856|2.683945|5.100268|3.945982|2.477857|4.300651|3.638153|3.660067|4.546876|6.598930|6.429852|4.450079|8.842807|11.030714|17.554182|1.944988|2.399216|0.046931|0.045889|1.838178|1.639243|1.484779|1.574532|1.934562|3.118127|3.747643|0.049326|0.043870|0.042622|0.039656|0.038047|0.040954|0.047159|0.085480|0.114694|0.217919|0.110871|0.500000| |1.547972|1.525433|1.427828|1.387894|1.433989|1.533455|1.586300|1.696820|0.046694|1.942751|0.053816|1.950174|0.053022|2.279199|4.200658|3.408641|2.229177|3.984513|3.074512|3.252842|4.137508|5.464872|4.703250|3.506307|8.982140|13.738175|17.631978|1.719148|2.169935|0.042547|0.041752|1.621161|1.457027|1.340938|1.399064|1.703245|2.790940|3.237615|0.046888|0.041486|0.041016|0.038260|0.036541|0.038565|0.043318|0.078560|0.112846|0.142633|0.087098|0.299496|0.500000| |1.673642|1.673924|1.565106|1.533282|1.600821|1.718978|1.762034|1.882887|0.051064|2.201016|0.062014|2.182621|0.058145|2.595119|4.758191|3.944209|2.547192|4.519385|3.637099|3.657136|4.545530|6.599306|6.431274|4.452375|8.842573|11.028506|17.553625|1.911840|2.397161|0.047246|0.045546|1.769722|1.583363|1.452183|1.499342|1.925857|3.144383|3.701041|0.050796|0.044512|0.044019|0.041566|0.040220|0.043178|0.048914|0.085429|0.114656|0.218085|0.110897|0.301751|0.299514|0.500000| |3.153309|3.151893|2.605969|2.452909|2.688719|3.305129|3.717491|5.045584|0.144390|4.793158|0.115979|6.823384|0.215063|4.958211|8.204597|5.264661|3.824295|5.690529|3.092484|2.770932|2.339926|2.182601|2.334734|2.761470|1.874786|3.148561|1.732632|8.858831|9.443066|0.153247|0.214905|17.454773|8.795076|6.712599|6.955087|5.419779|8.089615|8.305389|0.088512|0.097364|0.074946|0.065353|0.060052|0.068593|0.097245|0.079876|0.059996|0.059959|0.079434|0.049610|0.044145|0.047608|0.500000| |2.678884|2.746802|2.332262|2.254556|2.517418|3.069577|3.277184|4.287919|0.114414|4.679286|0.120781|7.169643|0.188147|6.061384|11.208463|5.765453|3.839223|5.558271|3.408463|2.914165|2.477895|2.377855|2.630341|3.171037|2.024311|3.337177|1.896040|9.156067|7.532122|0.135077|0.146305|17.571456|8.903192|5.466272|7.195154|6.601067|8.672285|11.541424|0.076732|0.078977|0.064691|0.058458|0.055736|0.065728|0.093885|0.080630|0.062253|0.068285|0.094706|0.055087|0.047823|0.052240|0.303689|0.500000| |2.402764|2.585903|2.280353|2.294124|2.634062|3.150210|3.117302|3.695770|0.093995|3.691588|0.103900|4.525224|0.113683|3.813815|6.759045|4.149649|2.960966|4.491420|2.554222|2.226933|1.955756|1.911410|2.110077|2.464313|1.672793|2.772042|1.601480|6.709394|6.973253|0.148130|0.138370|8.920589|17.558273|8.925487|8.933196|7.141565|11.128170|11.293966|0.066122|0.070353|0.059021|0.056743|0.057259|0.070965|0.100301|0.061502|0.049839|0.056261|0.074689|0.046200|0.040858|0.044781|0.173993|0.215754|0.500000| 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|2.921095|3.257864|2.858167|2.885029|3.350095|4.068771|4.001002|4.512434|0.113338|3.872138|0.107105|4.228783|0.110246|3.285893|5.403494|3.853024|2.979407|4.649251|2.345719|2.102159|1.834651|1.755949|1.893616|2.193197|1.543902|2.593797|1.461113|6.253859|9.471803|0.226425|0.212464|6.527332|8.731527|17.583034|5.497763|5.961955|12.177329|8.050392|0.076707|0.087431|0.071045|0.069834|0.070783|0.088528|0.127014|0.059613|0.047396|0.049931|0.064676|0.041440|0.037548|0.040978|0.159498|0.136327|0.217271|0.304354|0.500000| 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