Version2.1 2020-12-29T05:50:49Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 11-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1ccc(cc1)NC(=O)[C@@H]2N=N[C@H](S2)CCCC(=O)NCCC3=c4cc(ccc4=[NH+]C3)Cl C64538864 RHF 6-31G(d) (6D,7F) Cc1ccc(cc1)NC(=O)[C@@H]2N=N[C@H](S2)CCCC(=O)NCCC3=c4cc(ccc4=[NH+]C3)Cl C01[X(C24H27Cl1N5O2S1)] 174 C1 557 O=C(NCCC1=c2cc(Cl)ccc2=[NH+]C1)CCC[C@@H]1N=N[C@H](S1)C(=O)Nc1ccc(cc1)C O=C(NCCC1=c2cc(Cl)ccc2=[NH+]C1)CCC[C@@H]1N=N[C@H](S1)C(=O)Nc1ccc(cc1)C Cc1ccc(NC(=O)[C@H]2S[C@H](CCCC(=O)NCCC3=C4C=C(Cl)C=CC4=[NH+]C3)N=N2)cc1 InChIKey=JHVCDKHUFOCCGY-ISKFKSNPSA-O InChI=1S/C24H26ClN5O2S/c1-15-5-8-18(9-6-15)28-23(32)24-30-29-22(33-24)4-2-3-21(31)26-12-11-16-14-27-20-10-7-17(25)13-19(16)20/h5-10,13,22,24H,2-4,11-12,14H2,1H3,(H,26,31)(H,28,32)/p+1/t22-,24-/m1/s1 InChI=1/C24H26ClN5O2S/c1-15-5-8-18(9-6-15)28-23(32)24-30-29-22(33-24)4-2-3-21(31)26-12-11-16-14-27-20-10-7-17(25)13-19(16)20/h5-10,13,22,24H,2-4,11-12,14H2,1H3,(H,26,31)(H,28,32)/p+1/t22-,24-/m1/s1/fC24H27ClN5O2S/h26-28H/q+1 Cc1ccc(cc1)NC(=O)[C@@H]2N=N[C@H](S2)CCCC(=O)NCCC3=c4cc(ccc4=[NH+]C3)Cl C01[X(C24H27Cl1N5O2S1)] 174 C01 557 O=C(NCCC1=c2cc(Cl)ccc2=[NH+]C1)CCC[C@@H]1N=N[C@H](S1)C(=O)Nc1ccc(cc1)C O=C(NCCC1=[C]2[CH]=[C]([CH]=[CH][C]2[NH]C1)Cl)CCC[C@@H]1N=N[C@H](S1)C(=O)N[C]1[CH][CH][C]([CH][CH]1)C C[C]1[CH][CH][C]([CH][CH]1)NC(=O)[C@H]2S[C@H](CCCC(=O)NCCC3=C4C=C(Cl)C=C[C]4NC3)N=N2 InChIKey=FBTBPPOOSQPODJ-ISKFKSNPSA-N InChI=1S/C24H27ClN5O2S/c1-15-5-8-18(9-6-15)28-23(32)24-30-29-22(33-24)4-2-3-21(31)26-12-11-16-14-27-20-10-7-17(25)13-19(16)20/h5-10,13,22,24,27H,2-4,11-12,14H2,1H3,(H,26,31)(H,28,32)/t22-,24-/m1/s1 InChI=1/C24H27ClN5O2S/c1-15-5-8-18(9-6-15)28-23(32)24-30-29-22(33-24)4-2-3-21(31)26-12-11-16-14-27-20-10-7-17(25)13-19(16)20/h5-10,13,22,24,27H,2-4,11-12,14H2,1H3,(H,26,31)(H,28,32)/t22-,24-/m1/s1/f/h26,28H 3204.8653648024 -2203.3099926 1-A 45761.1869 127 430 557 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| -104.94923 -92.01196 -20.64302 -20.58881 -15.77984 -15.71482 -15.71322 -15.70552 -15.65511 -11.48948 -11.46264 -11.45422 -11.44482 -11.43139 -11.42960 -11.41987 -11.41043 -11.40858 -11.40488 -11.39867 -11.38322 -11.37087 -11.36951 -11.33820 -11.32172 -11.31849 -11.31727 -11.27234 -11.27087 -11.26791 -11.26463 -11.26146 -11.25367 -10.68242 -9.02308 -8.15184 -8.14824 -8.14818 -6.70554 -6.70469 -6.70224 -1.51068 -1.48506 -1.48410 -1.45825 -1.35707 -1.33387 -1.31298 -1.27533 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2.9902 3.7255 1.7516 3.7338 4.3539 4.5051 2.1608 4.1143 1.6345 1.4546 5.3389 1.4078 3.2292 2.0465 4.9095 2.6261 2.4311 1.5271 5.1020 1.3332 2.8377 3.2348 2.0392 3.1734 1.3437 3.1750 2.9606 2.9569 3.0333 2.4404 1.3518 2.1459 2.8463 1.5192 4.0329 2.5224 2.0500 2.6807 2.3303 1.4127 1.3156 2.2938 1.1348 1.1771 2.3440 1.5596 2.1326 1.6057 2.1013 1.2592 1.3220 1.3231 1.8249 1.6788 1.3213 1.4058 1.6112 1.3222 1.1833 1.2997 1.4756 1.2212 2.6735 1.4856 1.2883 1.4583 1.5307 1.8356 2.2714 1.8575 1.6705 1.0955 1.5073 1.0878 1.0453 1.0955 1.1706 1.0988 1.7351 2.3439 2.0415 6.2568 2.5146 4.8021 3.1214 5.5147 6.5679 8.6310 11.4236 10.5171 1.0380 1.0622 1.0613 1.0633 1.1002 1.1038 1.0644 1.1023 1.0642 1.0845 1.0628 1.0938 1.1020 1.0994 1.1047 1.1007 1.1050 1.0891 1.0922 1.0952 1.0910 1.0988 1.0950 1.0935 1.0784 1.0820 1.0802 0.0001 0.0002 0.0002 0.0001 0.0012 0.0011 0.0025 0.0060 0.0087 0.0114 0.0172 0.0291 0.0176 0.0239 0.0192 0.0440 0.0529 0.0569 0.0825 0.0880 0.0839 0.1105 0.1455 0.2263 0.1719 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7.4405 7.5566 7.5419 7.7082 9.4777 9.5407 9.6316 0.6401 0.6729 1.3781 0.2125 3.8251 1.2594 0.5409 3.1643 0.8023 2.3977 1.3103 10.5585 1.8393 2.4147 1.7044 5.5024 3.0880 4.2882 7.5040 1.0540 9.4874 2.3021 7.9188 2.0020 2.9121 6.7057 2.3987 9.1518 4.3028 6.8211 6.3233 6.9079 9.4536 4.0328 22.5843 88.5192 0.3719 10.9840 40.9997 8.0931 4.7184 8.6302 8.5814 0.6515 48.4173 15.4176 37.4460 20.5683 26.8937 47.3032 16.5544 36.3013 5.5786 0.5042 6.0942 20.9856 6.7630 0.2463 30.4564 5.4039 3.3885 17.8417 6.6099 3.5688 14.2233 66.2439 53.2950 1.6169 12.9200 40.6302 10.0554 14.4759 4.7594 17.4046 6.8115 9.3484 3.2069 2.2298 65.2985 1.4510 15.0482 1.9041 7.3943 1.9166 7.6563 10.3777 10.0584 0.5554 10.1380 28.8095 3.0782 56.9638 5.3794 11.0112 3.9709 25.0645 50.0417 41.6175 0.8584 15.3599 0.0897 22.1660 8.2028 2.1986 144.5349 61.8224 15.8859 16.0976 3.2868 86.7100 169.5786 19.2893 8.1006 54.3683 8.9716 1.8685 35.3185 62.8722 29.0394 49.1612 21.4098 0.9794 182.8544 37.7253 27.7628 50.1818 11.5262 10.1875 5.8505 81.9345 2.4511 4.8490 19.3825 7.7163 5.3494 119.0155 62.4458 357.6610 8.2622 625.7176 222.5155 211.5691 33.5819 328.2869 241.4325 202.2452 97.1333 47.1146 1.9996 21.7109 22.5082 8.4960 3.1050 5.7993 29.9278 27.5352 8.2427 10.3379 0.4561 22.9709 50.1437 2.7400 16.0313 16.9224 19.6045 30.9343 12.5015 0.2928 0.5970 1.1587 0.9291 70.4649 203.6131 70.2653 4.8729 4.3306 5.0433 0.4696 3.0458 1.8978 1.6366 0.4493 1.0378 0.6002 1.6471 0.3473 1.2379 1.5207 0.7908 0.5721 1.6152 1.0808 0.7441 0.4705 0.8283 0.5180 0.7385 0.4814 0.3846 0.8187 0.5110 2.0630 2.1844 2.2492 1.1421 3.0978 8.1076 0.7928 1.3025 1.4357 0.0848 0.8872 3.6905 1.3035 1.3665 2.3696 2.3052 1.4341 3.6588 0.6473 6.3821 7.9095 2.2573 4.7330 4.0034 0.2345 2.4681 6.8769 9.4478 9.8920 11.7506 2.8240 1.9561 3.6620 3.6265 3.3081 6.3259 20.0930 15.1408 3.6295 1.2408 9.5434 3.5338 13.2699 0.9048 3.0870 6.1900 9.9736 5.9627 1.9625 3.5070 6.2905 4.9329 8.7938 33.2631 0.9857 3.7403 2.3475 0.6397 4.5237 14.4929 2.2941 7.7989 9.1471 0.1590 20.0381 0.8088 1.5497 13.4972 3.2839 9.7416 1.9023 15.7735 5.3357 14.7810 36.4219 13.4179 5.4281 2.0990 8.5058 23.6427 6.3538 1.6396 140.8870 47.4711 3.2470 16.3980 8.6222 9.0281 3.5851 5.1397 3.2057 31.8314 55.1338 2.5039 19.5150 23.2138 17.4634 6.3771 147.1998 87.4369 10.6928 11.7917 148.9489 27.0693 22.2489 17.7835 11.1872 2.0544 89.8868 7.6137 4.8765 53.2179 36.3815 4.5270 3.9753 182.7353 127.6985 2.4704 19.3252 63.9171 204.1368 22.3227 151.7020 20.1902 98.5353 30.5075 63.2838 114.7198 123.4986 75.2371 174.5252 27.4954 67.1300 41.9140 67.8966 119.2881 59.8169 50.2102 57.8438 172.1025 59.9340 163.9268 53.8330 46.8491 81.8309 91.5358 69.7522 0.7500 0.7495 0.7500 0.7449 0.7444 0.7497 0.7456 0.7105 0.6979 0.7490 0.6870 0.5753 0.7483 0.6922 0.5354 0.4137 0.5998 0.6570 0.0963 0.4195 0.6706 0.7369 0.5888 0.2290 0.6859 0.3260 0.4784 0.2999 0.5962 0.5208 0.6644 0.7494 0.4137 0.6489 0.4967 0.5404 0.5785 0.2531 0.6083 0.6382 0.7114 0.7426 0.7470 0.3434 0.3092 0.6447 0.2309 0.1557 0.7497 0.2613 0.5320 0.2788 0.2811 0.6756 0.7290 0.3942 0.2311 0.6489 0.2987 0.1514 0.6685 0.2018 0.2609 0.2975 0.2073 0.7047 0.6740 0.1894 0.3100 0.1024 0.6639 0.3832 0.2584 0.1757 0.5661 0.1162 0.7494 0.7025 0.3193 0.3634 0.2415 0.7399 0.6978 0.6138 0.5404 0.7486 0.5026 0.7487 0.7217 0.4065 0.4711 0.5109 0.6910 0.6595 0.2786 0.5614 0.2302 0.6712 0.2228 0.6883 0.1824 0.3141 0.7315 0.7493 0.4137 0.1695 0.3302 0.6555 0.4908 0.2207 0.2184 0.5464 0.7103 0.5746 0.7428 0.6747 0.5587 0.2915 0.5991 0.3257 0.5250 0.5083 0.4875 0.4683 0.4472 0.2899 0.2777 0.6997 0.6779 0.2416 0.6486 0.7477 0.7283 0.2550 0.3647 0.1836 0.2993 0.1824 0.6815 0.4040 0.1492 0.4616 0.4344 0.3772 0.4069 0.7254 0.2454 0.0549 0.1182 0.0829 0.1435 0.7028 0.7493 0.5392 0.7498 0.0962 0.2702 0.1144 0.2264 0.7490 0.2423 0.2674 0.6459 0.7272 0.7087 0.6328 0.1495 0.7413 0.2105 0.2051 0.2191 0.1773 0.3001 0.2284 0.8571 0.8568 0.8571 0.8538 0.8534 0.8570 0.8543 0.8307 0.8221 0.8565 0.8144 0.7304 0.8560 0.8181 0.6974 0.5853 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0.8565 0.3901 0.4220 0.7849 0.8421 0.8295 0.7751 0.2602 0.8515 0.3477 0.3403 0.3594 0.3012 0.4616 0.3718 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 6 6 6 6 7 6 8 6 1 7 7 6 1 16 6 6 6 6 8 7 6 6 6 6 6 6 6 6 6 7 1 6 17 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 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 1.00783 14.00307 14.00307 12.00000 1.00783 31.97207 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 12.00000 34.96885 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 5590.0265 82036.9744 84730.0163 0.99999 0.00450 -0.00154 -0.00447 0.99974 0.02250 0.00164 -0.02250 0.99975 1 0.01549 0.00106 0.00102 0.32285 0.02200 0.02130 6.91 11.80 14.17 18.00 27.06 30.00 38.87 53.61 65.46 85.21 103.10 108.73 131.71 140.89 157.80 183.20 194.39 230.53 258.69 264.37 279.12 313.90 347.43 360.34 397.98 421.69 452.25 465.37 496.86 498.20 535.07 549.16 561.46 595.69 607.14 635.82 658.14 679.99 698.44 706.54 738.62 763.01 798.48 802.61 811.90 825.90 875.52 908.84 930.73 946.79 965.37 980.50 1004.12 1011.32 1042.99 1080.05 1117.42 1130.80 1143.69 1179.29 1183.38 1191.34 1244.44 1283.19 1288.11 1329.97 1331.04 1338.08 1368.99 1370.90 1394.59 1409.96 1418.97 1444.21 1460.50 1487.68 1545.84 1546.93 1557.14 1567.69 1575.68 1588.02 1603.75 1606.11 1609.54 1612.09 1635.94 1643.76 1654.68 1669.59 1691.05 1692.56 1712.25 1733.97 1739.91 1814.01 1831.85 1833.66 1859.71 1875.47 1894.01 1899.75 1914.17 1920.34 1926.71 1963.73 1988.62 1995.91 2014.11 2033.57 2040.50 2060.02 2068.58 2080.57 2091.67 2101.62 2114.64 2120.03 2128.31 2190.38 2211.74 2238.69 2239.73 2255.24 2261.30 2266.98 2269.60 2281.45 2321.72 2335.77 2347.01 2347.92 2360.20 2365.64 2372.28 2385.69 2436.34 2448.35 2493.15 2499.57 2545.20 2594.04 2626.83 2664.84 2761.06 2805.70 2823.79 4609.33 4611.90 4619.76 4648.54 4667.48 4671.70 4681.80 4684.19 4684.60 4689.42 4690.01 4714.71 4722.79 4728.33 4752.53 4765.37 4773.96 4809.79 4838.72 4842.80 4895.07 4915.65 4919.21 4976.74 5556.81 5566.15 5597.16 0.522415 0.552554 0.553498 0.449883 -2202.787578 -2202.757438 -2202.756494 -2202.860110 3.475298D-04 MUNgauss RevisionA2.0 retrievium 29-Dec-2020 DUDE Cc1ccc(cc1)NC(=O)[C@@H]2N=N[C@H](S2)CCCC(=O)NCCC3=c4cc(ccc4=[NH+]C3)Cl C64538864 RHF 6-31G(d) (6D,10F) C1 484.157400 |X|Y|Z| 30.778453 49.250179 205.883142 67.830518 29 6 7 16 23 5 1 |36.858105| |12.608884|36.858105| |7.527054|13.753054|36.858105| |4.988476|7.841707|13.721033|36.858105| |4.411505|6.785536|7.956956|13.748446|36.858105| |5.014701|7.891118|6.940748|7.952202|13.687913|36.858105| |7.545484|13.686566|8.027675|6.880657|7.917724|13.815120|36.858105| |3.323815|4.513189|5.118302|7.698586|13.455179|7.970075|5.192307|53.358707| |2.843651|3.659966|4.317090|6.285782|7.661792|5.174531|3.905119|19.279037|36.858105| |2.825354|3.578712|4.457412|6.513099|6.465980|4.423503|3.589579|11.403773|15.915006|73.516695| |2.348855|2.885466|3.222551|4.194903|5.005952|3.987862|3.127890|10.680004|12.431551|14.419396|36.858105| |2.243540|2.721053|3.022091|3.843068|4.463865|3.653758|2.929382|8.742585|9.038569|12.404467|17.578377|0.500000| |2.282611|2.781495|2.964316|3.699936|4.654250|4.060940|3.140113|9.557961|7.599970|9.444702|13.036501|0.257814|53.358707| |2.044810|2.432195|2.567521|3.098571|3.722125|3.362256|2.711574|6.873574|5.474031|7.620395|8.342305|0.182589|21.506173|53.358707| |1.884631|2.210868|2.379015|2.853617|3.242307|2.863172|2.385743|5.730296|4.969173|7.552507|7.462510|0.167167|11.338785|17.671053|36.858105| |1.848794|2.152826|2.304460|2.725490|3.061347|2.740842|2.314800|5.213912|4.347742|6.798480|5.700846|0.128585|8.675558|12.640456|17.607959|0.500000| |2.041151|2.426316|2.718755|3.380179|3.698864|3.059495|2.545956|6.672466|6.852275|11.209290|10.490580|0.218084|9.788868|9.775238|10.453836|0.219628|388.023441| |1.659520|1.909670|2.033455|2.377056|2.649011|2.399298|2.048289|4.474947|3.770326|5.987103|5.300567|0.138610|7.849404|10.649241|12.447802|0.246223|47.664287|36.858105| |1.521172|1.727337|1.849761|2.132476|2.303206|2.083979|1.819055|3.752761|3.176719|5.321371|4.104071|0.108745|5.578449|6.807645|7.485727|0.191631|40.269434|12.463225|36.858105| |1.372133|1.538939|1.632894|1.851373|1.986437|1.827740|1.617558|3.162787|2.611272|4.413744|3.249599|0.089883|4.470286|5.223966|4.880839|0.126542|28.525689|7.522021|12.458095|36.858105| |1.272125|1.412951|1.501924|1.684327|1.775889|1.636479|1.468692|2.767750|2.275604|3.940560|2.710691|0.074725|3.642625|4.123619|3.754745|0.102070|23.860085|4.902727|7.532835|12.585956|36.858105| |1.265866|1.402712|1.494112|1.670690|1.749245|1.609809|1.451137|2.705849|2.221869|3.881536|2.595654|0.070163|3.470807|3.929642|3.612658|0.102521|23.337953|4.386241|6.682112|7.946595|15.765569|73.516695| |1.189666|1.312453|1.391268|1.547642|1.622254|1.503157|1.359581|2.499650|2.039162|3.555077|2.388262|0.067137|3.193444|3.522599|3.064078|0.082147|20.160901|3.865363|5.136532|7.807488|14.092871|15.245656|53.358707| |1.107853|1.212650|1.284091|1.415210|1.469041|1.366386|1.248137|2.230892|1.806151|3.182412|2.061412|0.057656|2.744216|2.988355|2.553552|0.069794|17.223285|3.044667|3.869400|5.029576|7.855645|12.541224|17.974609|36.858105| |1.115688|1.219651|1.301059|1.433250|1.470556|1.357367|1.244504|2.221099|1.813884|3.249586|2.040756|0.056973|2.656784|2.853046|2.455015|0.067269|17.304187|2.818360|3.573708|4.200150|6.080228|11.114837|10.366559|12.212480|36.858105| |1.080327|1.175577|1.252439|1.371462|1.400224|1.296411|1.195467|2.096361|1.699967|3.056009|1.882711|0.051862|2.461768|2.646002|2.265935|0.063491|15.969485|2.522966|3.152961|3.504563|4.823595|9.942112|7.131294|7.476540|12.726824|36.858105| |1.010191|1.091971|1.160077|1.260118|1.280157|1.191280|1.106569|1.897229|1.525492|2.750535|1.665735|0.045947|2.182754|2.325675|1.954000|0.054846|13.847705|2.138561|2.575249|2.815383|3.616410|7.174177|5.364215|5.338575|7.396110|14.023712|36.858105| |0.954547|1.027454|1.089072|1.177274|1.193372|1.114428|1.039545|1.759145|1.407843|2.541071|1.528491|0.042508|2.002736|2.114926|1.749986|0.048677|12.463976|1.911854|2.244168|2.466688|3.049538|5.745832|4.667779|4.538177|5.824084|7.432567|13.206864|36.858105| |0.903990|0.968209|1.023782|1.100109|1.111598|1.042112|0.977277|1.626854|1.293620|2.337646|1.390857|0.038588|1.827310|1.922231|1.574752|0.044000|11.228582|1.698289|1.959117|2.118170|2.539836|4.795311|3.786072|3.485059|4.153084|5.145628|7.983987|14.230632|36.858105| |0.896971|0.958878|1.013102|1.085895|1.095439|1.028400|0.966651|1.597731|1.266465|2.289578|1.353945|0.037283|1.783516|1.879824|1.539563|0.043446|10.956729|1.641677|1.889640|2.007634|2.387026|4.611138|3.441417|3.079013|3.586892|4.641819|6.874032|7.836295|13.136057|36.858105| |0.937615|1.004819|1.063049|1.142354|1.153540|1.080879|1.013741|1.686573|1.339465|2.420274|1.434293|0.039219|1.891072|2.004785|1.655713|0.047144|11.742731|1.759415|2.048326|2.154612|2.590059|5.158080|3.640200|3.240873|3.797816|5.282905|7.655199|6.606633|7.732675|14.106219|36.858105| |0.999317|1.077340|1.143183|1.237205|1.253867|1.169336|1.089850|1.848607|1.479051|2.668840|1.600504|0.043718|2.105373|2.247076|1.883406|0.053640|13.317259|2.023650|2.415697|2.562401|3.198934|6.561493|4.483167|4.127396|5.101905|8.415947|13.219346|7.639847|6.831473|8.061684|13.404862|36.858105| |1.056110|1.143069|1.214903|1.320405|1.341420|1.247587|1.158380|1.986591|1.594302|2.871523|1.732034|0.046873|2.281882|2.456602|2.086570|0.060184|14.658053|2.233031|2.715252|2.827972|3.572981|7.761392|4.756837|4.217936|5.081953|8.269527|8.457427|5.296459|4.668248|5.260534|7.716309|14.546979|53.358707| |1.055929|1.140844|1.211042|1.312610|1.331796|1.241093|1.155093|1.964553|1.569589|2.826372|1.693354|0.045511|2.239012|2.412408|2.041102|0.059532|14.304388|2.151602|2.583776|2.632421|3.222047|6.996731|4.186205|3.553773|4.074531|5.823319|5.924476|4.235333|3.957992|4.644469|6.811107|9.287959|26.005611|0.500000| |1.121659|1.222885|1.303784|1.430006|1.461166|1.351246|1.244270|2.189798|1.775275|3.186995|1.962117|0.053180|2.576487|2.797735|2.427536|0.069640|16.955836|2.657398|3.375616|3.578349|4.860484|11.354505|6.322522|5.692240|7.246112|12.713079|8.213110|5.081476|4.110045|4.149312|5.190369|8.370572|17.886832|0.243819|36.858105| |0.847626|0.903893|0.953190|1.019199|1.028070|0.967507|0.911159|1.496668|1.184009|2.139920|1.265924|0.035323|1.664717|1.738506|1.406115|0.039051|10.054123|1.511514|1.709269|1.846741|2.150864|3.956896|3.225881|2.864035|3.253188|3.636367|4.752415|7.103469|11.027768|7.011674|4.764195|4.221850|4.464433|0.081145|3.018828|448.794386| |17.539574|8.835831|5.930467|4.304999|3.957196|4.565535|6.613976|4.184984|2.645202|4.644152|2.223607|0.059878|2.956145|2.646688|1.785629|0.048356|13.658250|1.590492|1.455858|1.323566|1.226282|2.159844|1.568735|1.073406|1.078521|1.041488|0.975368|0.924912|0.876288|0.867493|0.904048|0.962285|1.379464|0.028089|1.076246|6.618205|0.500000| |17.548701|8.833796|5.809483|4.254151|3.951603|4.615587|6.782572|4.182245|2.630653|4.595155|2.213977|0.058298|2.978647|2.702412|1.827730|0.050275|13.851827|1.610387|1.478518|1.335070|1.239783|2.199716|1.575919|1.080329|1.085462|1.055039|0.987920|0.932570|0.884811|0.880296|0.921445|0.980541|1.412290|0.028895|1.098912|6.656505|0.302245|0.500000| |17.581025|8.841688|7.215121|4.730908|3.951959|4.171306|5.570167|4.165025|2.706926|4.909617|2.236922|0.059491|2.912067|2.626072|1.806743|0.049336|14.085864|1.596390|1.478334|1.334930|1.245910|2.210856|1.588812|1.091456|1.105155|1.072786|1.005497|0.950973|0.902106|0.896014|0.936238|0.996006|1.431138|0.029221|1.113631|6.795262|0.301999|0.301903|0.500000| |6.971816|8.937685|17.705806|8.982378|5.671252|4.986313|5.679914|5.649824|3.753228|7.202325|2.884073|0.075925|3.567974|3.145053|2.188392|0.059139|17.939984|1.892842|1.748797|1.552267|1.442080|2.559541|1.825886|1.245971|1.270583|1.227217|1.141240|1.073639|1.011936|1.002506|1.050716|1.126423|1.625626|0.033096|1.276086|7.576849|0.154259|0.149551|0.221079|0.500000| |4.082370|5.618653|8.918622|17.822740|8.915881|5.652441|4.964287|9.487815|6.851238|14.926474|4.429218|0.112887|5.009093|4.227312|2.959032|0.078142|26.238198|2.460143|2.235536|1.928363|1.763066|3.116876|2.202198|1.480129|1.511684|1.445049|1.324817|1.235589|1.152185|1.136296|1.196414|1.299019|1.888682|0.038258|1.506686|8.549846|0.100077|0.098658|0.112934|0.217344|0.500000| |4.095382|5.630012|4.984884|5.647720|8.890398|17.689058|8.954469|10.024913|4.849453|7.082377|4.035319|0.102811|6.004571|4.960492|2.984822|0.079146|21.699389|2.509598|2.142693|1.884458|1.671280|2.908667|2.086291|1.386741|1.365718|1.301274|1.193613|1.116147|1.042442|1.027761|1.080231|1.170109|1.700106|0.034490|1.355895|7.767344|0.107483|0.109063|0.096029|0.108051|0.124075|0.500000| |6.991119|8.897002|5.677646|4.954719|5.646845|8.981535|17.699027|5.748017|3.291291|5.365300|2.765308|0.072596|3.876833|3.412390|2.198226|0.059558|16.267476|1.914766|1.703234|1.529079|1.390639|2.440679|1.758330|1.188859|1.180386|1.135668|1.054348|0.992684|0.935353|0.925803|0.969602|1.039469|1.500983|0.030572|1.180768|7.017677|0.185268|0.194492|0.140343|0.124389|0.107693|0.217607|0.500000| |3.083027|4.055930|4.285768|5.730204|9.288477|7.642130|4.923292|26.039490|9.549751|10.883659|7.683516|0.176101|11.754180|7.969761|4.453653|0.111731|33.474053|3.477575|2.828937|2.392670|2.065367|3.566992|2.533748|1.651852|1.625950|1.531257|1.383984|1.283171|1.185820|1.163813|1.228341|1.347231|1.971224|0.039768|1.599068|8.759461|0.080453|0.080772|0.077825|0.098110|0.142750|0.235080|0.116875|0.500000| |1.603583|1.833534|1.923084|2.217872|2.492101|2.313739|1.985036|4.139987|3.334331|5.248793|4.460864|0.116986|7.164947|10.074619|8.958323|0.214145|36.021630|17.532846|8.831759|6.871171|4.558853|7.264298|4.987500|2.917072|2.632290|2.382977|2.040360|1.831723|1.636755|1.587085|1.699188|1.941763|2.909497|0.057498|2.513330|11.737302|0.042819|0.043515|0.042647|0.049591|0.062774|0.068224|0.052136|0.091338|0.500000| |1.664539|1.917582|2.044686|2.395869|2.672487|2.413874|2.056825|4.538214|3.858595|6.119001|5.582832|0.159312|7.967480|9.609003|8.879975|0.174187|45.147214|17.539134|8.814671|6.878798|4.554133|6.975808|5.185903|2.978781|2.761399|2.422876|2.067183|1.874856|1.663219|1.592629|1.688597|1.931959|2.855892|0.055749|2.483926|11.998484|0.044609|0.044566|0.044449|0.052851|0.068982|0.070125|0.053350|0.097914|0.302473|0.500000| |1.551755|1.765241|1.914698|2.220866|2.362329|2.102105|1.838604|3.845864|3.354802|5.785471|4.296845|0.114776|5.425454|6.245978|6.851300|0.171268|45.963991|8.847770|17.557798|8.878219|6.917472|11.429293|6.782991|3.860387|3.784836|3.306612|2.680780|2.330381|2.024272|1.946090|2.108787|2.498856|3.818779|0.073705|3.518188|14.138615|0.041171|0.041669|0.042136|0.050599|0.065707|0.059227|0.047458|0.078741|0.173432|0.210891|0.500000| |1.500844|1.697560|1.812065|2.074743|2.232655|2.033107|1.785269|3.590340|2.989241|5.027515|3.713747|0.095488|5.144017|6.356685|6.858636|0.207262|36.333999|8.832471|17.576317|8.893498|6.949196|12.846279|6.371068|3.734693|3.474745|3.208331|2.623754|2.250166|1.977783|1.936173|2.129219|2.519791|3.947574|0.077826|3.601394|13.722730|0.039725|0.040773|0.040559|0.047673|0.060211|0.058018|0.046561|0.075117|0.211504|0.173143|0.303789|0.500000| |1.335996|1.493282|1.568878|1.766683|1.909698|1.781777|1.580100|3.023192|2.440783|4.074932|3.006306|0.082632|4.302635|5.111957|4.530108|0.120703|25.188494|6.841239|8.810691|17.510708|9.054084|11.713924|8.959328|4.568072|3.680593|3.179632|2.618446|2.314545|2.012229|1.919105|2.056639|2.415502|3.615875|0.069433|3.271257|14.180496|0.035863|0.036275|0.035971|0.041300|0.050580|0.051484|0.041785|0.064340|0.204971|0.169593|0.173526|0.212678|0.500000| |1.372242|1.539689|1.634709|1.855147|1.990855|1.829872|1.618288|3.175159|2.630498|4.449300|3.297787|0.094465|4.476768|5.070530|4.536250|0.112213|27.817184|6.891175|8.796157|17.543437|8.898770|10.517301|10.171207|4.778734|4.030414|3.256535|2.662620|2.392797|2.054167|1.922058|2.030395|2.386310|3.498799|0.066153|3.189375|14.599786|0.036942|0.036921|0.037068|0.043165|0.053716|0.052405|0.042475|0.066697|0.171085|0.206923|0.210308|0.173587|0.303579|0.500000| |1.184860|1.307251|1.381970|1.536744|1.617059|1.503064|1.358151|2.494938|2.028051|3.516644|2.387611|0.068128|3.208346|3.514055|2.992091|0.078679|19.622942|3.830211|4.779244|7.397352|9.340517|10.891765|26.078136|9.013114|5.925596|4.246034|3.394580|3.088539|2.549835|2.302926|2.392726|2.861608|4.048567|0.073802|3.755785|17.950953|0.032004|0.031979|0.032228|0.036942|0.044489|0.042711|0.035907|0.051830|0.101872|0.108959|0.127364|0.116733|0.180582|0.229953|0.500000| |1.084650|1.184630|1.249727|1.372682|1.427101|1.334013|1.221108|2.159733|1.734881|3.044790|1.969595|0.054508|2.653334|2.912430|2.478814|0.069012|16.422468|2.924761|3.696495|4.686797|7.153532|12.878039|12.532771|17.600999|8.708232|7.470797|5.493440|4.479889|3.529492|3.214585|3.465688|4.465253|6.366819|0.109576|6.273352|22.862998|0.029154|0.029492|0.029662|0.033664|0.039725|0.037683|0.032397|0.044555|0.079404|0.077781|0.099706|0.103323|0.124680|0.117898|0.188138|0.500000| |1.059637|1.155598|1.219621|1.337956|1.388026|1.297266|1.189327|2.097024|1.686676|2.969967|1.913536|0.053990|2.554890|2.756356|2.305791|0.062554|15.610474|2.731528|3.315960|4.259266|5.797398|9.058409|12.650602|17.633935|8.777451|5.950786|4.838047|4.526218|3.498911|3.000554|3.045394|3.714780|4.932507|0.086092|4.498009|23.919967|0.028620|0.028692|0.028995|0.032903|0.038759|0.036606|0.031559|0.043193|0.073475|0.075652|0.091531|0.087897|0.111010|0.118228|0.233716|0.304096|0.500000| |1.078105|1.174454|1.252468|1.374187|1.404104|1.297945|1.194902|2.108546|1.717449|3.090546|1.915971|0.053992|2.483172|2.633930|2.229148|0.060551|15.935046|2.533087|3.093698|3.590113|4.755354|8.300798|8.238652|8.722915|17.604412|8.990808|6.985535|6.506892|4.475239|3.645815|3.664822|4.660178|5.895374|0.098478|5.455983|28.947430|0.029032|0.029085|0.029715|0.034077|0.040273|0.036206|0.031511|0.042781|0.065856|0.070217|0.091361|0.082412|0.088632|0.099570|0.146209|0.179659|0.230399|0.500000| |1.186684|1.304302|1.400138|1.553705|1.592378|1.457070|1.329343|2.422183|2.003852|3.609395|2.271275|0.063396|2.913476|3.126162|2.744472|0.074646|19.743966|3.152150|4.117734|4.701318|6.810256|12.493529|10.412996|8.799209|17.616569|9.066110|5.771105|4.639937|3.533347|3.159252|3.389446|4.445970|6.370468|0.107849|6.814604|22.879639|0.031795|0.031983|0.032670|0.037963|0.045806|0.040611|0.034852|0.049029|0.079671|0.085842|0.126868|0.109225|0.108835|0.125328|0.165092|0.185173|0.181589|0.303739|0.500000| 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