Version2.1 2021-01-20T11:33:51Z 10.1021/jm300687e Gaussian16 RevisionB.01 CFLINN 25-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc2=[NH+]CC(=c2c1)C3=NN[C@@H](N3C4CC4)SCC(=O)Nc5ccccc5SCC#N C63399333 RHF 6-31G(d) (6D,7F) c1ccc2=[NH+]CC(=c2c1)C3=NN[C@@H](N3C4CC4)SCC(=O)Nc5ccccc5SCC#N C01[X(C23H23N6O1S2)] 159 C1 534 N#CCSc1ccccc1NC(=O)CS[C@H]1NN=C(N1C1CC1)C1=c2ccccc2=[NH+]C1 N#CCSc1ccccc1NC(=O)CS[C@H]1NN=C(N1C1CC1)C1=c2ccccc2=[NH+]C1 O=C(CS[C@H]1NN=C(N1C2CC2)C3=C4C=CC=CC4=[NH+]C3)Nc5ccccc5SCC#N InChIKey=ULMCEGUIXXUMLU-QHCPKHFHSA-O InChI=1S/C23H22N6OS2/c24-11-12-31-20-8-4-3-7-19(20)26-21(30)14-32-23-28-27-22(29(23)15-9-10-15)17-13-25-18-6-2-1-5-16(17)18/h1-8,15,23,28H,9-10,12-14H2,(H,26,30)/p+1/t23-/m0/s1 InChI=1/C23H22N6OS2/c24-11-12-31-20-8-4-3-7-19(20)26-21(30)14-32-23-28-27-22(29(23)15-9-10-15)17-13-25-18-6-2-1-5-16(17)18/h1-8,15,23,28H,9-10,12-14H2,(H,26,30)/p+1/t23-/m0/s1/fC23H23N6OS2/h25-26H/q+1 c1ccc2=[NH+]CC(=c2c1)C3=NN[C@@H](N3C4CC4)SCC(=O)Nc5ccccc5SCC#N C01[X(C23H23N6O1S2)] 159 C01 534 N#CCSc1ccccc1NC(=O)CS[C@H]1NN=C(N1C1CC1)C1=c2ccccc2=[NH+]C1 N#CCS[C]1[CH][CH][CH][CH][C]1NC(=O)CS[C@H]1NN=C(N1C1CC1)[C]1[C]2[CH]=[CH][CH]=[CH][C]2[NH]C1 O=C(CS[C@H]1NN=C([C]2CN[C]3C=CC=C[C]23)N1C4CC4)N[C]5[CH][CH][CH][CH][C]5SCC#N InChIKey=MIVNJPWMBXXHOH-QHCPKHFHSA-N InChI=1S/C23H23N6OS2/c24-11-12-31-20-8-4-3-7-19(20)26-21(30)14-32-23-28-27-22(29(23)15-9-10-15)17-13-25-18-6-2-1-5-16(17)18/h1-8,15,23,25,28H,9-10,12-14H2,(H,26,30)/t23-/m0/s1 InChI=1/C23H23N6OS2/c24-11-12-31-20-8-4-3-7-19(20)26-21(30)14-32-23-28-27-22(29(23)15-9-10-15)17-13-25-18-6-2-1-5-16(17)18/h1-8,15,23,25,28H,9-10,12-14H2,(H,26,30)/t23-/m0/s1/f/h26H 3481.8964391509 -2080.6592298 1-A 16672.4115 121 413 534 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1.3734 1.8169 2.6204 1.6256 1.2969 1.9064 1.4071 1.1479 1.4425 1.6633 1.1112 1.4137 1.3327 1.6266 1.9655 1.8635 2.1878 1.3026 1.7601 2.1489 1.3429 1.7304 1.3931 1.8167 3.7513 1.3866 1.6626 1.3768 1.5298 1.1056 1.7564 1.1016 2.3541 1.3414 2.0242 2.7654 1.4012 2.1795 6.5461 4.2006 3.5263 4.7376 6.4162 6.6293 9.4344 12.6636 1.0608 1.0591 1.0579 1.1036 1.0874 1.1040 1.0903 1.0549 1.1092 1.0609 1.0890 1.0908 1.0932 1.1206 1.0984 1.0930 1.0973 1.1182 1.0973 1.0936 1.0819 1.0800 1.0778 0.0007 0.0013 0.0027 0.0033 0.0086 0.0072 0.0125 0.0154 0.0180 0.0224 0.0281 0.0231 0.0249 0.0313 0.0415 0.0508 0.1272 0.1900 0.1605 0.0725 0.1603 0.1633 0.2132 0.3297 0.2970 0.2683 0.3082 0.3407 0.3283 0.5382 0.5593 0.4683 0.3854 0.9714 0.6185 0.4661 0.5770 0.4744 1.7097 0.7110 0.5412 0.4757 0.3598 0.5345 0.5131 0.5147 0.9725 0.4120 1.1650 1.0294 2.1551 1.7699 1.9218 1.8043 1.8589 1.6800 1.6676 2.0247 0.6084 0.5148 0.5654 2.6978 0.6783 2.5221 1.0353 1.5495 1.8991 0.9512 3.9527 1.8337 0.8702 1.7133 1.6457 1.7378 2.5220 1.6916 2.0889 0.9612 2.7046 0.9771 3.5361 2.4395 1.0363 1.0889 2.0767 2.5166 1.5346 1.2215 3.0221 2.6796 1.2460 1.6647 2.4281 1.5171 1.2293 1.8523 1.3716 1.1522 1.4546 1.6849 1.1273 1.4557 1.3796 1.7049 2.1293 2.0526 2.5261 1.5240 2.1303 2.6120 1.6881 2.2235 1.8371 2.4216 5.2098 1.9365 2.4316 2.0436 2.2840 1.6784 2.6682 1.6782 3.6002 2.0607 3.1565 4.3516 2.2863 3.7874 11.5518 7.7028 6.6093 8.9757 12.3240 13.3375 22.0643 50.7616 6.5482 6.6566 6.6756 7.0554 6.9862 7.1480 7.0594 6.8491 7.2573 6.9475 7.3251 7.3818 7.3989 7.6461 7.4977 7.4749 7.5286 7.7115 7.6475 7.7359 9.4274 9.4577 9.4828 0.6257 0.4088 1.6550 0.2795 2.5809 4.2080 2.7720 4.5145 1.1538 0.4944 4.1617 1.1224 7.1118 1.3381 7.4327 1.3229 12.1955 3.5866 6.8213 9.9026 0.0828 1.3489 2.3272 6.3790 13.3227 15.5517 38.6434 4.8270 4.9178 19.6246 8.1647 1.5844 69.4879 1.3667 0.9971 96.1388 11.9344 52.5605 7.9236 111.1181 37.9928 26.5633 401.3808 41.0195 23.5462 77.6037 19.9159 17.6061 34.1693 8.8039 2.5902 26.4854 28.2301 5.0388 10.2163 23.8202 9.1721 11.7224 91.8189 5.3056 61.8943 25.3788 6.4584 25.5394 3.5937 12.6290 52.3001 5.3854 13.3338 6.1588 4.2932 26.4828 5.5422 25.6327 24.9952 24.8261 3.9805 1.8588 105.5361 0.4611 3.8912 12.6206 1.1097 1.9709 0.6371 1.8987 11.8126 15.8966 30.8299 86.4955 0.7415 15.8815 176.3851 48.0303 40.8191 184.7046 59.7678 2.7670 23.9371 3.8391 0.2509 3.0531 0.6029 5.8470 21.1792 90.9384 272.5996 27.5878 106.0175 38.9440 37.3067 125.2606 37.2817 105.9257 159.2210 38.6445 264.2582 36.6581 28.7794 0.1074 81.8698 10.1819 66.7082 31.4673 18.6663 402.2275 8.8874 455.2144 24.5098 179.5098 214.4744 21.6475 384.2566 205.9816 244.1696 49.6080 17.1371 5.6735 2.0429 5.5652 19.2759 0.1513 6.7560 10.2081 0.6467 3.1836 1.1950 3.3778 7.5466 4.7674 13.4809 1.5060 1.0915 10.1575 2.8115 3.2815 341.6889 91.1384 49.4917 7.6124 0.8564 2.4078 3.8542 0.6205 1.3153 3.3376 1.9706 5.6853 0.8525 1.5251 2.4144 2.2837 3.1195 3.3974 1.9122 12.2995 2.6273 1.2094 6.6943 2.5499 3.1431 1.4833 2.4693 1.9361 6.2236 10.1199 4.5381 5.0199 5.2145 5.9013 4.8662 47.5742 5.6145 1.8350 37.7818 0.9311 24.6279 4.9300 43.4308 8.4132 0.5583 414.9827 12.4337 2.1894 1.8505 14.6917 2.7992 14.0416 13.6449 1.1858 42.8478 7.0999 10.1634 4.6345 27.5329 4.1169 26.3933 8.0885 2.5870 0.8910 25.1901 6.1921 7.2130 7.2344 4.8278 55.3983 2.3824 3.7479 4.6052 1.1279 3.4322 3.1722 26.8906 11.1512 26.7540 4.6481 0.1654 44.1794 4.2004 33.9937 41.1762 0.3710 3.1167 3.6157 17.8734 46.7116 17.0005 21.7223 107.6302 2.2852 32.1802 245.6319 4.1359 39.4767 12.9736 45.4553 6.9614 6.9590 14.0851 5.5216 8.7845 8.4928 17.0511 6.8168 14.8098 159.0463 16.5549 14.8403 162.1434 12.7303 6.3570 30.2071 60.2981 150.3729 6.4417 848.8009 140.5535 11.3034 8.1997 6.3298 4.9979 111.2357 3.8967 60.2622 1197.0539 9.3705 9.9715 731.4133 122.8202 25.0546 59.4481 897.4425 29.5263 13.1074 103.9489 38.2921 179.0231 72.0901 19.8048 46.7598 120.3655 110.8285 48.8760 52.0691 162.5423 55.7201 85.1979 90.4565 58.4094 230.7672 116.1046 269.1367 50.6192 54.2009 52.4153 75.7052 275.1750 47.4057 0.7479 0.7223 0.7498 0.6905 0.5597 0.6653 0.7443 0.7285 0.7489 0.7220 0.7441 0.4563 0.4474 0.4094 0.7442 0.4576 0.5427 0.7160 0.7343 0.4398 0.4757 0.4771 0.4871 0.7037 0.6834 0.5342 0.4438 0.1947 0.6356 0.7481 0.3323 0.4676 0.4090 0.2660 0.3065 0.2603 0.6697 0.2408 0.5921 0.2103 0.6718 0.7446 0.3864 0.5048 0.1038 0.6121 0.6660 0.5640 0.4535 0.3298 0.3236 0.2354 0.5044 0.5957 0.6757 0.0691 0.7329 0.1855 0.6489 0.5427 0.3446 0.3657 0.6149 0.2332 0.6260 0.5767 0.4130 0.6756 0.4080 0.6431 0.7375 0.6478 0.4460 0.5441 0.2974 0.7371 0.1238 0.6711 0.4267 0.7302 0.1342 0.5440 0.4665 0.7453 0.1404 0.2263 0.3075 0.3119 0.6059 0.3266 0.7430 0.1991 0.3853 0.6088 0.2696 0.7064 0.1140 0.6404 0.4896 0.2477 0.7303 0.1427 0.7014 0.7499 0.5972 0.1753 0.2659 0.7269 0.0883 0.2417 0.3418 0.4445 0.4241 0.2187 0.2617 0.6324 0.2746 0.2309 0.5652 0.7498 0.5726 0.7422 0.7050 0.0606 0.2086 0.3240 0.5872 0.5386 0.3776 0.3204 0.4837 0.7355 0.3268 0.7455 0.2254 0.2819 0.0777 0.1503 0.0964 0.6446 0.4953 0.7373 0.2763 0.3169 0.6725 0.0988 0.6340 0.6431 0.6741 0.7482 0.1620 0.7346 0.1394 0.6056 0.1457 0.1912 0.4938 0.2270 0.1219 0.8558 0.8388 0.8570 0.8169 0.7177 0.7990 0.8534 0.8429 0.8564 0.8385 0.8533 0.6266 0.6182 0.5809 0.8533 0.6279 0.7035 0.8345 0.8468 0.6109 0.6447 0.6460 0.6551 0.8261 0.8120 0.6964 0.6148 0.3259 0.7772 0.8559 0.4988 0.6372 0.5805 0.4203 0.4692 0.4131 0.8022 0.3881 0.7438 0.3475 0.8037 0.8536 0.5574 0.6709 0.1881 0.7594 0.7995 0.7212 0.6240 0.4961 0.4890 0.3811 0.6706 0.7467 0.8065 0.1293 0.8459 0.3129 0.7871 0.7035 0.5126 0.5356 0.7615 0.3783 0.7700 0.7315 0.5845 0.8064 0.5795 0.7828 0.8489 0.7863 0.6169 0.7048 0.4584 0.8486 0.2203 0.8032 0.5982 0.8441 0.2367 0.7047 0.6362 0.8540 0.2463 0.3691 0.4704 0.4755 0.7546 0.4924 0.8525 0.3320 0.5562 0.7568 0.4247 0.8279 0.2046 0.7808 0.6574 0.3970 0.8442 0.2498 0.8245 0.8571 0.7478 0.2983 0.4201 0.8419 0.1622 0.3894 0.5095 0.6154 0.5956 0.3589 0.4149 0.7748 0.4309 0.3752 0.7222 0.8570 0.7282 0.8520 0.8270 0.1142 0.3452 0.4894 0.7399 0.7001 0.5482 0.4853 0.6520 0.8476 0.4927 0.8542 0.3679 0.4398 0.1441 0.2613 0.1759 0.7839 0.6625 0.8488 0.4330 0.4813 0.8042 0.1798 0.7760 0.7828 0.8053 0.8559 0.2788 0.8470 0.2446 0.7544 0.2543 0.3210 0.6611 0.3700 0.2173 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 6 6 6 6 7 1 6 6 6 6 6 7 7 6 1 7 6 6 6 16 6 6 8 7 6 6 6 6 6 6 16 6 6 7 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 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 12.00000 1.00783 14.00307 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 14.00307 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 11640.1370 21624.1326 27828.6449 0.99999 0.00299 0.00142 -0.00301 0.99990 0.01361 -0.00138 -0.01362 0.99991 1 0.00744 0.00401 0.00311 0.15504 0.08346 0.06485 20.46 27.89 37.22 47.20 64.02 72.78 77.08 96.57 117.97 133.98 138.84 152.21 161.31 165.98 171.14 210.69 263.59 269.60 280.49 296.11 316.06 348.87 379.76 413.88 442.48 451.80 458.45 490.69 538.02 583.53 605.20 608.58 622.95 675.90 679.24 712.23 746.42 776.80 791.41 799.51 803.86 835.42 853.01 882.40 884.52 892.53 904.63 949.82 962.42 1014.86 1064.62 1131.46 1145.13 1152.46 1164.89 1187.82 1195.43 1207.31 1237.69 1247.60 1248.51 1270.16 1308.98 1358.18 1368.41 1375.69 1393.56 1400.96 1409.88 1430.06 1446.50 1462.46 1467.56 1507.50 1512.41 1522.54 1524.24 1578.45 1607.14 1621.05 1634.63 1640.62 1642.41 1661.21 1675.26 1683.51 1708.84 1732.25 1751.62 1759.47 1785.32 1794.20 1804.35 1810.78 1824.91 1847.63 1850.65 1877.93 1882.28 1886.57 1887.96 1902.03 1907.15 1919.02 1950.99 1967.21 2014.13 2027.51 2062.18 2066.57 2101.56 2124.82 2152.51 2164.10 2208.96 2215.16 2266.84 2283.60 2290.31 2309.49 2310.26 2313.59 2318.03 2323.24 2340.69 2351.31 2394.37 2470.92 2490.02 2538.26 2566.19 2580.04 2597.80 2658.71 2866.52 3752.82 4657.14 4699.18 4708.63 4739.48 4751.06 4769.44 4769.64 4776.10 4794.61 4796.64 4861.46 4876.14 4876.39 4896.24 4897.35 4901.74 4909.89 4922.50 4948.31 4985.26 5533.24 5546.83 5560.00 0.466955 0.494676 0.495620 0.404530 -2080.192274 -2080.164554 -2080.163610 -2080.254700 3.055174D-04 MUNgauss RevisionA2.0 retrievium 20-Jan-2021 DUDE c1ccc2=[NH+]CC(=c2c1)C3=NN[C@@H](N3C4CC4)SCC(=O)Nc5ccccc5SCC#N C63399333 RHF 6-31G(d) (6D,10F) C1 463.137478 |X|Y|Z| 100.767791 69.763578 40.635357 65.859463 27 6 7 16 21 5 1 |36.858105| |13.183225|36.858105| |7.718284|14.062048|36.858105| |6.821423|8.073102|13.446013|36.858105| |4.658442|5.261063|7.729564|14.506708|53.358707| |3.945332|4.627203|6.776000|9.231750|25.958088|0.500000| |4.102613|4.154609|5.205332|8.385912|17.990785|0.246945|36.858105| |5.127851|4.644656|5.290921|8.429702|11.275181|0.162753|12.711538|36.858105| |7.966903|6.884339|7.656119|13.196678|11.469604|0.164315|8.187899|13.973303|36.858105| |14.186363|7.857415|6.607846|7.641811|7.198868|0.117507|5.071986|7.402307|13.220976|36.858105| |4.169757|3.617654|3.839480|5.176888|7.019998|0.115160|7.365828|13.146269|7.518729|5.853427|36.858105| |4.271996|3.514885|3.525815|4.423744|5.629167|0.095645|5.160631|8.078863|6.416682|6.042853|15.026599|53.358707| |3.315946|2.819463|2.828502|3.406638|4.507408|0.079656|4.093229|5.450411|4.449156|4.285098|9.017533|19.275639|53.358707| |2.864058|2.548495|2.643951|3.225433|4.516638|0.080998|4.305142|5.204235|3.982732|3.582814|8.422180|11.298687|17.842143|36.858105| |2.578547|2.305342|2.375030|2.835262|3.965963|0.072147|3.667280|4.269712|3.417476|3.150732|6.198848|8.343774|12.410254|17.665208|0.500000| |3.202582|2.896413|3.105362|3.994795|5.815893|0.101103|6.158247|7.509333|4.998265|4.107440|13.509899|11.535716|11.486413|13.007567|0.251598|53.358707| |2.910080|2.680559|2.885365|3.630929|5.371594|0.095310|5.441583|5.926991|4.307280|3.605446|7.771493|7.676754|7.770216|7.712940|0.212012|17.885938|36.858105| |2.619999|2.517668|2.790748|3.484614|5.483502|0.101115|5.501004|5.013955|3.799050|3.114805|5.440754|5.604512|5.491891|5.133987|0.140686|10.139989|12.686374|36.858105| |2.373193|2.232879|2.401177|2.906996|4.359542|0.081002|4.157555|4.158423|3.257659|2.814808|5.005166|5.566833|5.999603|6.131677|0.189611|10.264554|12.744942|12.767383|36.858105| |2.419066|2.218649|2.320228|2.757384|3.942600|0.073368|3.623410|3.966793|3.196372|2.887395|5.284204|7.205585|9.320423|10.444656|0.227720|9.300799|4.979252|4.097686|4.807907|388.023441| |2.674582|2.491967|2.651454|3.192897|4.618937|0.086175|4.246145|4.530846|3.640154|3.186654|5.565890|7.423273|7.862535|6.804160|0.142558|8.307131|4.297305|3.772608|3.903922|74.774317|36.858105| |2.275343|2.172887|2.317665|2.699103|3.941886|0.076368|3.434720|3.448969|2.924306|2.604897|3.889095|5.186911|5.439982|4.553534|0.106584|5.744936|3.339011|3.131683|3.229964|49.376952|12.486217|36.858105| |2.015746|1.923426|2.033195|2.330316|3.383429|0.066025|2.906771|2.922128|2.515093|2.282802|3.315525|4.470750|4.869275|4.133652|0.101899|5.028504|3.057282|2.889383|3.081840|46.969378|7.983084|15.988698|73.516695| |2.305267|2.249657|2.428906|2.799147|4.120880|0.081526|3.464723|3.360864|2.929705|2.589485|3.544861|4.672494|4.620439|3.681446|0.087301|4.958286|2.960741|2.859019|2.822624|34.041421|7.942811|13.964010|14.893007|53.358707| |2.028324|2.009625|2.163654|2.422471|3.554537|0.072044|2.871711|2.743122|2.469919|2.220497|2.821538|3.737861|3.702675|2.909556|0.071551|3.931457|2.459778|2.428992|2.394115|25.873610|5.046587|7.618061|11.501495|18.435269|36.858105| |1.791291|1.764132|1.875427|2.074199|3.011831|0.060959|2.425172|2.348147|2.129224|1.949525|2.456176|3.296323|3.353708|2.645054|0.066665|3.480340|2.223845|2.194321|2.213203|23.953570|4.226294|6.302806|11.650486|10.570615|13.694689|36.858105| |1.622943|1.613307|1.711135|1.860673|2.691623|0.055106|2.120302|2.040749|1.883510|1.739707|2.100698|2.819535|2.848551|2.220034|0.056827|2.950946|1.929079|1.923731|1.928359|19.271650|3.241817|4.328164|7.991942|6.993613|7.926810|13.766011|36.858105| |1.619232|1.631340|1.739855|1.871888|2.713127|0.056276|2.094138|1.990604|1.861336|1.716025|2.003486|2.672348|2.649366|2.042937|0.052221|2.771436|1.824886|1.836239|1.808107|17.110271|2.902968|3.666144|6.412275|6.164587|6.802479|7.892076|13.760461|36.858105| |1.786674|1.818178|1.960923|2.114114|3.086928|0.064585|2.359844|2.212819|2.074560|1.890841|2.185945|2.890112|2.810139|2.156581|0.054447|2.981713|1.947414|1.966011|1.901776|17.765009|3.130997|3.879943|6.390452|7.022449|7.871211|6.872891|8.001000|13.797196|36.858105| |2.022874|2.047546|2.226897|2.452602|3.614826|0.074978|2.815277|2.629155|2.424103|2.173730|2.600736|3.414840|3.293515|2.541920|0.062949|3.537738|2.256254|2.263146|2.176958|21.237582|3.994903|5.120432|7.852011|10.728613|13.562678|7.912586|6.896859|7.904821|13.702115|36.858105| |2.351525|2.440117|2.723835|3.003754|4.487556|0.095074|3.368439|3.052539|2.861603|2.507516|2.867953|3.697190|3.418876|2.593429|0.063465|3.758913|2.389844|2.410334|2.240430|20.419962|3.901538|4.385763|6.437629|8.567878|6.825552|4.679123|4.189525|4.720765|6.964019|10.667677|388.023441| |2.234608|2.353476|2.702850|3.033569|4.812261|0.106288|3.640743|3.071291|2.809239|2.392666|2.836032|3.509759|3.258175|2.555995|0.063362|3.836646|2.519805|2.662638|2.408245|19.808017|3.600510|3.945735|5.981027|6.954096|5.291356|3.992354|3.643724|4.020501|5.357740|6.826934|73.791052|36.858105| |2.545348|2.739995|3.279082|3.777646|6.384122|0.148739|4.669529|3.656078|3.336629|2.733535|3.197538|3.833368|3.457004|2.702773|0.066628|4.236658|2.804981|3.013648|2.615068|19.934630|3.575911|3.608191|5.425628|5.928494|4.093433|3.216584|2.906030|3.093122|3.844914|4.719627|49.913470|12.966867|36.858105| |2.817604|3.101187|3.872359|4.573345|8.360194|0.213085|5.714540|4.151604|3.817962|3.024553|3.441811|4.028624|3.554002|2.759795|0.068090|4.466516|3.003694|3.266579|2.739086|19.503366|3.406635|3.265414|4.945140|5.098482|3.414630|2.769665|2.505048|2.623128|3.148019|3.758663|37.131114|7.315370|16.779345|53.358707| |17.755168|8.775558|5.590697|4.930538|5.022909|0.089833|3.355232|4.097834|5.633465|9.049188|3.576210|5.168777|4.171403|2.620225|0.066490|3.862364|2.602842|2.337204|2.161789|15.894072|2.429602|2.092593|3.335298|2.871243|1.875665|1.676433|1.528135|1.522422|1.665860|1.866210|15.166205|2.010444|2.245091|3.326314|0.500000| |8.800164|17.722356|9.092959|5.700937|5.718293|0.108155|3.400357|3.680652|4.959284|5.652404|3.009337|4.034026|3.342981|2.234445|0.056832|3.389514|2.333156|2.214450|1.986449|14.077838|2.205431|1.960623|3.116820|2.773779|1.850526|1.638892|1.514454|1.539577|1.709762|1.899282|15.982406|2.161539|2.479920|3.771483|0.215642|0.500000| |5.523738|8.943123|17.755118|8.762866|9.265439|0.191534|4.555830|4.297318|5.497551|4.815747|3.258254|4.065166|3.368916|2.360884|0.059505|3.741677|2.596618|2.581737|2.217990|15.076413|2.420301|2.167384|3.403265|3.128084|2.085397|1.811866|1.670993|1.716637|1.942210|2.181044|19.147938|2.720915|3.333621|5.425421|0.123172|0.216554|0.500000| |3.573096|3.610218|4.397026|6.345672|12.409367|0.202881|17.597673|8.868145|6.243837|4.307111|6.448261|6.193549|5.203629|4.196441|0.103209|8.389732|6.280265|7.165356|4.801007|24.752862|3.815886|3.151101|4.878041|4.232142|2.626065|2.266285|1.996637|1.963566|2.182133|2.558472|21.070985|3.305171|4.151690|6.822821|0.083375|0.084328|0.110703|0.500000| |3.554949|3.604539|4.400235|6.325380|12.409429|0.213910|17.601547|8.857574|6.182729|4.270447|6.621243|6.629801|5.487480|4.393948|0.102079|8.249648|5.045860|5.216333|4.103705|28.291633|5.016313|4.081621|5.953109|5.732847|3.397489|2.789381|2.400630|2.367956|2.704819|3.318656|28.721338|4.473340|5.883802|9.562650|0.082950|0.084279|0.111080|0.301333|0.500000| |9.002804|5.581821|4.817691|5.503959|5.841239|0.098198|4.427450|6.560280|8.742044|17.782034|6.170622|9.831922|6.832243|3.921632|0.096083|5.851945|3.722501|3.087924|2.888721|21.764772|3.269885|2.633296|4.138865|3.481483|2.181911|1.937392|1.721518|1.680242|1.831110|2.100608|16.788085|2.236117|2.497541|3.684003|0.214989|0.123896|0.105264|0.108065|0.107007|0.500000| |3.104985|2.641464|2.612556|3.056421|4.008219|0.072069|3.503644|4.470397|3.874692|3.878022|6.415869|13.118524|26.005870|8.945660|0.197722|8.194610|4.434517|3.367460|3.683787|46.754981|5.638681|4.038139|6.517112|4.635295|2.746907|2.517742|2.134897|1.971501|2.074954|2.421195|17.570865|2.299763|2.392740|3.300149|0.081437|0.064815|0.064019|0.090222|0.097735|0.126496|0.500000| |3.037219|2.746725|2.896412|3.581506|5.080588|0.089600|4.833271|5.591829|4.337084|3.778026|7.062203|7.520654|7.489593|6.442736|0.187661|12.131392|17.656036|8.614817|8.665300|29.617332|3.632989|2.883715|4.738153|3.534677|2.195024|2.000290|1.756048|1.670290|1.777633|2.035612|15.396321|2.254753|2.509407|3.682236|0.076069|0.066472|0.071831|0.152835|0.119025|0.110553|0.119294|0.500000| |2.556933|2.485386|2.758255|3.379946|5.285292|0.098778|4.952446|4.470709|3.586427|2.981765|4.554585|4.872134|4.698884|4.111189|0.114941|7.525000|8.580047|17.713428|8.572925|23.769161|3.131224|2.672560|4.422300|3.391741|2.164695|1.968721|1.752619|1.688495|1.806146|2.050350|15.639400|2.440570|2.782845|4.165231|0.063573|0.061133|0.071559|0.184607|0.124983|0.081334|0.081551|0.211893|0.500000| |2.594017|2.540428|2.874724|3.627186|5.988419|0.112731|6.227412|5.101820|3.819543|3.056218|5.258688|5.393136|5.185669|4.826017|0.125632|9.444548|8.595296|17.725525|8.696242|29.787224|4.107134|3.461609|5.583360|4.365759|2.707673|2.408351|2.098767|2.010080|2.173057|2.530251|19.325177|3.097405|3.560175|5.259135|0.063826|0.062037|0.074658|0.227352|0.177015|0.082606|0.090023|0.170909|0.291806|0.500000| |2.230753|2.106729|2.263995|2.719550|4.090485|0.077006|3.873119|3.831274|3.021196|2.625655|4.649607|5.339423|5.941223|6.415705|0.196129|9.604510|8.620249|8.659225|17.730568|40.873624|4.395690|3.686518|6.376123|4.248603|2.627486|2.447737|2.107010|1.949263|2.035500|2.341280|16.750080|2.530797|2.686477|3.742351|0.056686|0.052323|0.058426|0.119180|0.111593|0.074887|0.104005|0.171853|0.171457|0.215455|0.500000| |2.199372|2.066139|2.194410|2.595700|3.818164|0.071601|3.475526|3.524270|2.888323|2.569479|4.135878|4.836694|5.265895|5.013147|0.164411|7.623558|8.635514|8.578176|17.729934|28.611082|3.261118|2.777685|4.802864|3.336554|2.122998|1.991768|1.758320|1.651511|1.723169|1.943809|14.145250|2.126212|2.291309|3.263401|0.056349|0.051569|0.056601|0.110530|0.093773|0.073785|0.091983|0.214298|0.208919|0.171868|0.292416|0.500000| |2.880601|2.723336|2.976944|3.714702|5.588107|0.103183|5.461403|5.543122|4.194370|3.472644|6.550406|7.768441|7.496365|6.645697|0.138404|9.802849|4.902057|4.418196|4.303225|56.526650|17.606153|8.898587|10.874641|9.990481|4.806907|3.882725|3.063262|2.828574|3.130484|4.035141|29.978889|4.088432|4.255228|5.604189|0.071202|0.066089|0.075285|0.132782|0.193070|0.096347|0.139044|0.111423|0.099773|0.139679|0.132075|0.096910|0.500000| |2.908141|2.659924|2.776579|3.307297|4.601006|0.084955|4.081430|4.616997|3.861241|3.484619|5.639415|8.324927|8.490197|6.217874|0.130676|7.449478|3.883497|3.340293|3.412128|55.903583|17.565745|8.918392|11.178628|9.571124|4.705530|3.939604|3.087944|2.804805|3.044014|3.852627|27.470927|3.370730|3.368420|4.410428|0.073706|0.065234|0.069569|0.099173|0.129266|0.100661|0.180929|0.095122|0.079095|0.098518|0.102498|0.081254|0.301208|0.500000| |2.577127|2.529693|2.761033|3.219310|4.751475|0.093612|3.973562|3.832015|3.347089|2.906680|3.911612|5.105070|4.828646|3.747503|0.087320|5.238997|3.079003|2.962076|2.845661|32.174601|7.808634|9.448368|10.864935|26.066146|9.382150|5.787198|4.304848|4.067716|4.883425|7.551379|54.314997|5.731436|5.080970|5.934286|0.064709|0.063064|0.072175|0.095649|0.137580|0.078586|0.097634|0.075269|0.071915|0.092764|0.085516|0.068321|0.224817|0.208441|0.500000| |1.759744|1.713780|1.809097|2.009532|2.902954|0.058150|2.369309|2.329035|2.094850|1.929570|2.494117|3.376741|3.520310|2.807779|0.071264|3.595242|2.292236|2.237019|2.305971|26.514639|4.480838|6.943307|15.103011|9.638103|8.928284|17.829791|8.935749|5.638650|4.960740|5.638457|27.513452|3.429757|2.893512|3.475325|0.045916|0.044148|0.048228|0.062016|0.075019|0.053858|0.074053|0.057161|0.055425|0.067567|0.071739|0.057764|0.109655|0.114138|0.144998|0.500000| |1.501910|1.487436|1.567328|1.696082|2.440139|0.049834|1.921208|1.862629|1.724269|1.606241|1.931052|2.605960|2.661436|2.074014|0.053767|2.728714|1.802871|1.795376|1.818975|17.979964|2.900946|3.768529|7.265844|5.673958|5.655217|8.982571|17.726227|8.924508|5.673088|4.965139|24.097001|3.048279|2.513302|3.005674|0.039516|0.038938|0.042516|0.050716|0.059660|0.044397|0.055638|0.045832|0.045636|0.053909|0.055255|0.046488|0.075550|0.076891|0.098618|0.217090|0.500000| |1.497590|1.513822|1.608254|1.712450|2.470553|0.051436|1.888025|1.796956|1.695285|1.574313|1.801926|2.408073|2.388447|1.832920|0.047283|2.488169|1.658361|1.673803|1.648737|15.110956|2.495595|3.045987|5.393811|4.910970|4.917078|5.623921|8.889549|17.740367|8.924437|5.631385|27.818972|3.461423|2.738884|3.210163|0.039312|0.039963|0.044319|0.049507|0.058552|0.042816|0.049375|0.042467|0.043116|0.050569|0.049093|0.042177|0.067809|0.067380|0.092225|0.124051|0.214182|0.500000| |1.756170|1.808918|1.956614|2.080499|3.032792|0.064224|2.269513|2.113674|2.009943|1.836232|2.054501|2.709483|2.607814|1.984815|0.050316|2.773943|1.830506|1.858381|1.780039|15.932401|2.764241|3.268961|5.369767|5.707356|5.624697|4.953664|5.669852|8.927392|17.736965|8.949906|47.868094|5.322097|3.846570|4.291374|0.045523|0.047591|0.054439|0.058319|0.071526|0.049028|0.053277|0.046748|0.047893|0.056922|0.052367|0.045021|0.077972|0.075407|0.115635|0.107685|0.124398|0.214786|0.500000| |2.040021|2.167398|2.473872|2.702516|4.225831|0.094597|3.112893|2.657475|2.480279|2.149297|2.456592|3.069896|2.869380|2.236625|0.056296|3.326950|2.232566|2.373329|2.157009|17.196893|3.001336|3.289876|5.174203|5.575025|4.452246|3.588370|3.457634|3.973518|5.264014|5.851027|55.568365|17.627082|9.112260|8.252144|0.051431|0.056091|0.070345|0.080166|0.101843|0.055841|0.056521|0.056170|0.061422|0.075641|0.062631|0.053648|0.092318|0.078889|0.122599|0.085651|0.081477|0.098288|0.156933|0.500000| |2.122484|2.197916|2.497751|2.842767|4.520674|0.097625|3.583238|3.034033|2.702524|2.303257|2.886152|3.550234|3.362790|2.706465|0.067286|4.037697|2.655452|2.836283|2.593919|21.604528|3.911436|4.461940|6.822427|7.796175|5.952878|4.499954|3.994492|4.236532|5.381641|6.982563|55.909788|17.626840|9.145860|8.312952|0.053255|0.055916|0.068989|0.092492|0.123793|0.060589|0.065787|0.065049|0.071244|0.092979|0.077176|0.063167|0.123422|0.097807|0.166894|0.107629|0.092400|0.099561|0.138669|0.301204|0.500000| 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