Version2.1 2021-01-08T15:01:53Z 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 CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]3NN[C@H]([NH+]3CCC(=O)[O-])c4cccc(c4)C C39709868 RHF 6-31G(d) (6D,7F) CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]3NN[C@H]([NH+]3CCC(=O)[O-])c4cccc(c4)C C01[X(C24H29N4O3S1)] 177 C1 542 CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]1NN[C@H]([NH+]1CCC(=O)[O-])c1cccc(c1)C CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]1NN[C@H]([NH+]1CCC(=O)[O-])c1cccc(c1)C CCC1=CC=CC2=C(C[NH+]=C12)C(=O)CS[C@@H]3NN[C@H]([NH+]3CCC([O-])=O)c4cccc(C)c4 InChIKey=ORZFGAQJXJURIN-DNQXCXABSA-O InChI=1S/C24H28N4O3S/c1-3-16-7-5-9-18-19(13-25-22(16)18)20(29)14-32-24-27-26-23(28(24)11-10-21(30)31)17-8-4-6-15(2)12-17/h4-9,12,23-24,26-27H,3,10-11,13-14H2,1-2H3,(H,30,31)/p+1/t23-,24-/m1/s1 InChI=1/C24H28N4O3S/c1-3-16-7-5-9-18-19(13-25-22(16)18)20(29)14-32-24-27-26-23(28(24)11-10-21(30)31)17-8-4-6-15(2)12-17/h4-9,12,23-24,26-27H,3,10-11,13-14H2,1-2H3,(H,30,31)/p+1/t23-,24-/m1/s1/fC24H29N4O3S/h25,28H/q+1 CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]3NN[C@H]([NH+]3CCC(=O)[O-])c4cccc(c4)C C01[X(C24H29N4O3S1)] 177 C01 542 CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]1NN[C@H]([NH+]1CCC(=O)[O-])c1cccc(c1)C CC[C]1=[CH][CH]=[CH][C]2[C]1[NH]CC=2C(=O)CS[C@@H]1NN[C@H]([NH]1CC[C]([O])[O])[C]1[CH][CH][CH][C]([CH]1)C CCC1=CC=CC2=C(CN[C]12)C(=O)CS[C@@H]3NN[C@@H]([C]4[CH][CH][CH][C](C)[CH]4)[NH]3CC[C]([O])[O] InChIKey=JQVOYOGMOYZPNO-DNQXCXABSA-N InChI=1S/C24H29N4O3S/c1-3-16-7-5-9-18-19(13-25-22(16)18)20(29)14-32-24-27-26-23(28(24)11-10-21(30)31)17-8-4-6-15(2)12-17/h4-9,12,23-28H,3,10-11,13-14H2,1-2H3/t23-,24-/m1/s1 InChI=1/C24H29N4O3S/c1-3-16-7-5-9-18-19(13-25-22(16)18)20(29)14-32-24-27-26-23(28(24)11-10-21(30)31)17-8-4-6-15(2)12-17/h4-9,12,23-28H,3,10-11,13-14H2,1-2H3/t23-,24-/m1/s1 3434.4481893232 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3.0079 2.9694 4.0290 5.4705 2.7373 2.9487 2.1982 6.3786 5.0317 3.4325 2.1099 2.1275 2.5215 3.6897 1.5376 1.6514 3.9469 3.6652 4.3409 3.8177 4.0690 1.8858 1.6342 2.7240 1.8073 1.7042 1.7018 2.2135 2.3209 2.4904 4.0085 2.4939 1.4181 2.5481 2.1536 2.7382 1.3477 3.1085 1.3452 2.4598 1.5519 2.0871 1.9152 2.1646 2.2520 2.2610 2.1247 2.2753 2.0965 1.9667 1.2684 2.8921 1.1695 1.4779 1.2318 1.3715 1.6725 2.3531 1.2209 1.2578 1.1688 1.8288 1.2931 1.3276 1.5087 1.5608 1.5076 1.2080 1.4463 1.3007 1.3496 2.1504 1.5311 2.0755 1.2372 1.2398 1.6848 2.5651 1.8700 1.2601 1.6798 1.6548 1.2600 1.1512 1.0443 1.0500 1.0478 1.2881 1.0989 1.0897 1.9693 2.8435 1.2580 6.8225 5.0412 4.9894 5.3000 7.0082 8.7215 12.3913 1.0701 1.0860 1.0696 1.0398 1.0373 1.0630 1.0710 1.0966 1.0963 1.1035 1.1028 1.0998 1.1032 1.1046 1.0599 1.0907 1.0952 1.0915 1.0923 1.0920 1.1105 1.0973 1.0933 1.0912 1.0968 1.0766 1.0786 1.0783 1.0814 0.0002 0.0013 0.0027 0.0037 0.0015 0.0040 0.0127 0.0164 0.0093 0.0487 0.0474 0.0319 0.0552 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6.8028 6.8606 6.9250 6.9522 6.9731 7.0447 7.0567 6.9256 7.2262 7.2653 7.2997 7.3318 7.3731 7.5328 7.4467 7.4656 7.5858 7.7270 8.5580 8.8118 9.2886 9.5989 0.6738 1.8410 0.1650 0.6821 0.3736 1.5465 2.6619 7.5644 0.4492 4.6423 2.9511 0.8822 4.3107 22.0374 2.7486 7.2930 1.4968 14.9355 0.1541 6.9253 1.3862 3.4614 15.9189 40.3751 5.0719 5.5746 7.3692 1.5773 1.4084 8.1421 3.6976 4.7002 0.0315 12.9839 0.2163 9.3028 6.8861 4.7228 6.2830 18.1457 6.7937 14.0100 1.9295 74.3943 7.9306 7.7049 26.6279 27.5026 6.1642 24.7714 4.8631 8.3314 17.9203 40.0794 38.1744 79.1291 52.2871 27.8899 9.1137 13.7663 84.8968 12.1174 34.1755 26.3320 78.1063 14.6952 18.3455 45.2329 51.1818 3.9114 7.0161 0.2453 4.5116 105.0901 10.3942 29.8940 13.7299 12.8868 2.9111 17.1737 0.6759 24.7208 41.4481 16.6376 0.0587 2.8049 0.0366 9.1588 3.9321 100.9358 23.8156 103.3705 29.9821 27.0096 13.3353 7.7596 231.3596 15.6904 7.7821 31.8211 4.3092 8.3940 3.6056 46.3280 57.6944 5.4176 14.7541 5.1436 3.5772 33.3329 95.0399 1.8733 25.4975 4.1756 11.7104 15.2604 31.8431 90.9314 5.8478 134.7888 36.8655 25.8287 3.6821 0.2912 29.3676 4.6558 152.1906 28.7584 185.4432 17.5334 28.9573 51.4840 5.9840 3.0755 12.9320 22.5658 9.4242 27.3818 12.7741 87.3367 22.6718 44.1323 5.6647 74.9018 9.5998 125.6739 527.8341 99.6087 277.5846 26.0855 30.4658 22.0021 23.7203 8.4863 12.2026 38.7082 1.5618 11.5212 17.0645 51.8135 17.9800 26.3226 2.8946 6.8199 17.2217 9.9777 9.4120 3.4641 0.8298 12.9568 3.9810 21.3182 6.3839 4.5025 38.0766 44.3945 172.6029 1.8306 3.7881 3.9695 3.1890 0.5664 1.1680 1.9540 2.2477 0.4910 0.4627 1.5719 1.0866 0.9280 1.2558 5.1651 1.1410 1.2250 1.2854 0.9933 1.5320 2.5492 1.0820 0.7709 2.8729 2.2633 1.3964 3.4542 2.3276 0.8017 0.7991 3.1989 0.4691 1.7317 2.2292 1.9186 0.4271 2.5180 0.4669 2.2948 2.4043 3.2853 2.6698 4.1810 1.5283 1.0090 5.0951 15.0651 3.3816 8.7101 5.2186 8.0325 4.9346 5.2689 2.6879 0.7149 18.3554 1.5243 27.4944 1.8605 1.8995 5.4078 11.4732 1.3540 4.0889 2.1259 1.8320 2.1710 6.2070 8.8157 5.0067 4.2358 11.9069 1.6255 4.6873 4.6817 4.2283 9.6851 11.3296 21.7685 12.8682 2.3219 2.9277 6.4146 7.4189 0.2903 15.1272 9.9773 1.9998 0.2097 9.2766 7.1431 8.7241 1.7446 5.0952 5.8191 3.7116 8.0451 6.9147 39.8684 2.8177 1.9032 1.7827 18.0881 4.0321 6.5456 28.6368 10.2802 14.4698 8.3983 111.6996 9.9734 0.2967 3.8774 7.3727 1.4800 5.4220 46.2385 10.2851 1.6423 66.0317 6.3874 37.6278 6.5983 13.9374 3.2841 31.8757 16.8497 93.0646 26.2535 2.2095 5.3354 9.6469 16.5245 25.7960 32.1533 7.6741 2.9229 3.8968 2.0057 295.5862 1.3162 137.8499 23.3438 66.3091 41.3071 291.6284 83.6149 27.4046 214.2570 43.2893 47.2475 127.7227 161.2285 80.5297 104.3675 129.9268 86.6065 53.1841 103.0610 61.9026 53.3817 118.1586 85.0779 49.3598 21.6860 83.8184 105.3118 26.1555 54.7638 213.5217 159.8382 37.7883 50.5689 58.8857 11.1771 107.7243 81.4232 0.7495 0.7240 0.7485 0.7491 0.7434 0.7243 0.6700 0.7127 0.5999 0.7409 0.6495 0.6542 0.3245 0.7213 0.6857 0.6134 0.4815 0.3431 0.7274 0.5594 0.7304 0.6673 0.7125 0.6832 0.1750 0.7179 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0.8185 0.3648 0.8571 0.8503 0.3554 0.7532 0.7697 0.6667 0.3452 0.7788 0.5237 0.5625 0.2397 0.3387 0.2908 0.4826 0.0388 0.0809 0.2082 0.3771 0.7419 0.8487 0.8560 0.8542 0.3828 0.8418 0.7712 0.2143 0.5814 0.6471 0.7359 0.5924 0.4424 0.7469 0.2970 0.4414 0.3004 0.2994 0.3504 0.3041 0.4620 0.4767 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 6 7 1 6 6 8 6 16 6 1 7 7 6 1 7 1 6 6 6 8 8 6 6 6 6 6 6 6 1 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 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 15.99491 12.00000 31.97207 12.00000 1.00783 14.00307 14.00307 12.00000 1.00783 14.00307 1.00783 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 1.00783 5893.1490 33071.4299 33761.3112 0.99999 -0.00033 -0.00435 0.00063 0.99771 0.06764 0.00432 -0.06764 0.99770 1 0.01470 0.00262 0.00257 0.30624 0.05457 0.05346 12.18 29.91 49.75 60.91 61.54 71.10 89.86 103.40 104.24 140.78 150.78 166.51 181.26 199.83 227.93 236.01 267.04 292.74 296.46 322.96 340.47 344.77 366.43 385.61 414.48 419.08 436.60 454.27 488.00 512.21 522.98 553.19 603.51 628.21 637.21 652.46 655.24 711.76 739.79 787.87 806.98 811.59 812.35 847.79 860.65 876.34 909.59 934.80 971.60 985.31 1008.09 1018.96 1038.51 1070.82 1128.06 1147.11 1172.07 1203.23 1211.64 1223.68 1227.05 1277.08 1291.87 1292.22 1312.68 1315.43 1373.41 1399.21 1405.25 1444.37 1471.39 1474.36 1480.70 1516.83 1522.41 1526.13 1541.90 1550.72 1560.15 1579.67 1582.36 1590.14 1600.88 1617.41 1622.11 1630.69 1640.17 1679.47 1696.20 1709.43 1712.44 1726.27 1729.81 1751.78 1769.38 1813.64 1814.78 1842.96 1874.81 1883.20 1890.51 1919.11 1924.35 1935.44 1970.54 1972.40 1974.29 2003.85 2013.38 2047.70 2099.47 2106.55 2115.86 2149.21 2151.33 2161.11 2168.76 2176.02 2197.13 2219.63 2225.06 2232.77 2256.69 2259.98 2271.23 2277.34 2278.56 2295.05 2304.08 2308.61 2321.25 2334.62 2344.90 2353.39 2360.76 2364.12 2378.26 2379.87 2399.15 2414.05 2419.39 2528.15 2577.26 2581.06 2604.11 2656.13 2670.70 2899.61 4536.97 4585.24 4609.59 4620.53 4622.75 4638.17 4641.19 4668.60 4688.99 4695.61 4706.30 4719.85 4736.64 4737.62 4791.50 4824.65 4827.83 4847.28 4856.21 4870.65 4881.87 4883.01 4898.06 4942.10 4975.23 5284.69 5357.61 5501.47 5584.61 0.547283 0.575493 0.576437 0.485269 -1764.799031 -1764.770822 -1764.769878 -1764.861045 3.057756D-04 MUNgauss RevisionA2.0 retrievium 08-Jan-2021 DUDE CCc1cccc2=C(C[NH+]=c12)C(=O)CS[C@@H]3NN[C@H]([NH+]3CCC(=O)[O-])c4cccc(c4)C C39709868 RHF 6-31G(d) (6D,10F) C1 453.196038 |X|Y|Z| 40.085464 44.127622 129.242565 61.145946 23 6 7 16 18 4 1 |36.858105| |12.412560|36.858105| |7.469720|12.589839|36.858105| |5.457922|7.528916|14.070580|36.858105| |4.001082|4.896383|7.661934|13.140531|36.858105| |3.638602|4.296373|6.521934|7.834946|14.230049|36.858105| |4.111204|4.868845|7.554927|6.890840|7.993156|13.179853|36.858105| |3.526157|3.955484|5.268817|4.663473|5.151252|7.412657|14.094146|36.858105| |3.881412|4.258217|5.178966|4.162903|4.111678|5.068311|8.192546|12.772167|36.858105| |5.391722|6.250846|7.726247|5.291627|4.680282|5.293288|8.451002|8.333640|13.162690|53.358707| |5.999634|6.714847|6.844380|4.668141|3.966947|4.233833|5.922303|5.860873|8.817203|26.030063|0.500000| |5.739130|7.414476|13.328756|8.134916|6.852835|7.619195|13.125252|8.443061|8.350600|19.815320|0.258347|36.858105| |2.773850|3.024799|3.793129|3.613467|4.189686|5.895362|7.480618|12.619204|7.166200|6.904732|0.113002|5.108807|36.858105| |2.566813|2.803872|3.535674|3.568725|4.399036|6.343735|6.608651|8.159479|5.134876|5.629867|0.094804|4.454568|16.051767|73.516695| |2.455200|2.607986|3.079100|2.874800|3.163336|4.030792|4.932469|7.382437|6.246093|5.845376|0.101580|3.973333|12.556221|14.193068|36.858105| |2.001643|2.121347|2.448337|2.364667|2.629396|3.222308|3.565313|4.545889|3.954082|4.191861|0.075927|2.959184|6.770843|11.131427|10.491990|388.023441| |1.929638|2.099804|2.436230|2.397751|2.702172|3.289182|3.495449|4.210264|3.577901|3.968782|0.072074|2.886497|5.851925|10.625991|6.583781|74.971056|36.858105| |2.099842|2.327405|2.754786|2.723426|3.116285|3.886455|4.126700|4.965637|4.019139|4.459666|0.079624|3.304569|6.944392|12.827399|6.706814|55.919926|17.796456|0.500000| |1.739193|1.878744|2.164647|2.178300|2.479821|2.949361|2.981412|3.394100|2.892136|3.347398|0.061480|2.486389|4.485819|8.883674|4.708962|51.088096|13.227801|0.252089|53.358707| |1.606726|1.743369|1.976963|1.987835|2.225147|2.570758|2.593159|2.884193|2.546493|3.014558|0.056240|2.230313|3.551690|6.764141|3.717179|36.135184|8.484043|0.189271|18.404675|53.358707| |1.579570|1.705229|1.907292|1.882111|2.061066|2.366446|2.462363|2.794176|2.561840|2.998531|0.056519|2.164990|3.380928|6.080881|3.770542|37.228854|7.917016|0.167574|11.490197|18.073298|36.858105| |1.534356|1.637047|1.822362|1.791266|1.953950|2.241919|2.346670|2.684579|2.485398|2.891671|0.054672|2.071643|3.273450|5.841881|3.793975|39.780718|7.036646|0.144158|10.384142|12.328219|17.497456|0.500000| |1.790889|1.950977|2.204378|2.142622|2.341291|2.745195|2.950646|3.475773|3.184612|3.607192|0.067239|2.567451|4.295252|7.368122|4.966870|48.190250|12.168513|0.249062|10.924598|11.609862|12.471521|0.255232|53.358707| |1.787092|1.927695|2.155038|2.065625|2.224469|2.596117|2.851563|3.420061|3.251458|3.628630|0.068208|2.524663|4.169114|6.862150|5.199040|50.399526|9.001697|0.191823|8.459661|8.429088|9.164504|0.241540|25.754008|0.500000| |1.859572|2.066069|2.324399|2.249463|2.427758|2.805793|3.025836|3.475516|3.245199|3.767385|0.070713|2.686779|3.986738|6.748414|4.266635|34.138406|7.367767|0.211615|7.492865|8.430030|7.386462|0.155313|17.064155|0.256648|36.858105| |2.031973|2.268095|2.522074|2.367001|2.484001|2.859025|3.231638|3.800199|3.786770|4.324824|0.082037|2.967005|4.099685|6.495523|4.496123|31.706314|5.599350|0.166821|5.629857|5.776412|4.941545|0.118598|10.269598|0.210499|12.533216|36.858105| |2.404614|2.712469|3.092785|2.828042|2.962046|3.521369|4.247981|5.356914|5.442485|5.775268|0.105977|3.842816|5.566385|8.094684|5.995514|35.488180|5.675406|0.183737|5.470883|5.133664|4.077451|0.102717|8.200342|0.170093|7.393229|12.420609|36.858105| |2.547596|2.925157|3.492022|3.263181|3.551059|4.420623|5.327037|6.784245|5.889190|6.265232|0.109575|4.435355|7.277599|10.639989|6.588353|37.519265|6.404571|0.243104|6.100429|5.483076|4.040475|0.100465|7.896519|0.149850|6.800596|8.057160|15.311626|73.516695| |2.535219|2.811756|3.122826|2.763633|2.805547|3.279106|4.097211|5.258756|6.208906|6.353165|0.120039|3.927561|5.077180|7.144010|5.802182|31.953079|4.489773|0.135905|4.568172|4.263511|3.424411|0.089990|6.402383|0.141938|5.241342|8.086617|15.503240|15.295546|73.516695| |1.453822|1.570321|1.729006|1.705162|1.840188|2.064849|2.139453|2.374351|2.232018|2.676101|0.051202|1.928885|2.737280|4.880025|2.985825|26.719115|5.005578|0.120480|7.083097|10.408663|12.661542|0.249079|10.000354|0.177117|6.348080|4.484245|3.514435|6.009940|5.375273|36.858105| |1.372149|1.468429|1.596308|1.561417|1.663231|1.850309|1.936290|2.152804|2.073070|2.492770|0.048213|1.774981|2.440879|4.275681|2.719353|23.861659|4.016534|0.097387|5.486855|6.974603|7.655325|0.204440|7.622970|0.155691|4.936191|3.979182|3.153025|5.222920|5.033382|13.743462|36.858105| |1.274492|1.362774|1.466359|1.436364|1.517535|1.664414|1.732098|1.895775|1.843178|2.255972|0.044028|1.609700|2.098842|3.681578|2.292014|19.227158|3.153622|0.079622|4.326285|5.339765|5.057257|0.133941|5.579627|0.113470|3.960092|3.368723|2.704453|4.485998|4.390982|7.945372|13.743712|36.858105| |1.247441|1.341766|1.443091|1.423691|1.505746|1.638473|1.685843|1.818277|1.756104|2.177407|0.042514|1.569134|1.992832|3.532547|2.120582|17.420871|2.923814|0.075914|4.073327|5.116351|4.462022|0.112140|5.010728|0.097731|3.767982|3.163638|2.552551|4.310484|4.100226|6.888937|7.945963|13.786723|36.858105| |1.306039|1.416139|1.536589|1.528103|1.631141|1.779139|1.811537|1.941717|1.845438|2.291907|0.044437|1.669503|2.139528|3.842984|2.233705|18.387359|3.234326|0.085165|4.599483|6.077059|5.007594|0.117503|5.507212|0.101892|4.270911|3.384581|2.723552|4.707363|4.264804|7.874028|6.813520|7.881231|13.668360|36.858105| |1.412704|1.536920|1.689326|1.682258|1.817116|2.013083|2.050979|2.223311|2.078977|2.544254|0.048804|1.857780|2.508571|4.538554|2.627649|22.351340|4.197559|0.108321|6.088441|8.945122|7.536469|0.157590|7.478688|0.129789|5.612703|4.021190|3.191776|5.593539|4.857226|13.672566|7.922457|6.887050|7.979806|13.737974|36.858105| |1.254276|1.364627|1.474919|1.478657|1.575595|1.695492|1.704215|1.793474|1.701140|2.148528|0.041792|1.580475|1.944193|3.520953|1.983062|15.868657|2.750955|0.074665|3.930688|4.974642|3.770670|0.090519|4.412210|0.081708|3.520914|2.900571|2.411400|4.240029|3.799057|4.999402|4.423415|5.014470|7.555171|12.609009|7.542361|36.858105| |17.573162|8.775904|6.751493|5.619770|4.152103|3.661920|3.933796|3.319083|3.482376|6.205106|0.131860|5.117703|2.671851|4.486836|2.345078|13.760988|1.862698|0.056146|2.312242|2.128533|1.525312|0.041247|2.332404|0.047299|1.763765|1.897039|2.222632|4.228953|4.107362|1.401201|1.320035|1.226257|1.202100|1.260804|1.364202|1.213984|0.500000| |17.544512|8.704125|6.731078|4.855082|3.807393|3.656027|4.343348|3.868910|4.465399|8.603072|0.202588|6.113724|2.996798|4.825376|2.683292|15.232215|2.023981|0.060874|2.461041|2.257324|1.640576|0.044515|2.548530|0.052323|1.926614|2.122181|2.544498|4.753076|4.858361|1.500887|1.421180|1.313655|1.277172|1.332081|1.445679|1.269938|0.302237|0.500000| |17.574723|8.800192|5.474363|4.323438|3.314166|3.037223|3.375712|2.997130|3.331390|5.987548|0.140100|4.459165|2.429819|4.010510|2.200189|12.982872|1.766327|0.052993|2.177210|2.030236|1.474685|0.039837|2.261183|0.046198|1.730805|1.895526|2.206824|4.088291|4.157536|1.369574|1.300487|1.215524|1.191164|1.241906|1.333843|1.196146|0.301472|0.301987|0.500000| |8.856118|17.582110|8.980927|7.223987|4.670311|3.901532|4.116467|3.365218|3.493761|6.396381|0.136672|5.573623|2.682499|4.523550|2.324114|13.803235|1.949116|0.059900|2.405081|2.251596|1.610034|0.042809|2.478827|0.049693|1.937694|2.101126|2.454748|4.708185|4.452330|1.494489|1.396394|1.304065|1.292384|1.367222|1.475678|1.328610|0.211996|0.172489|0.213037|0.500000| |8.807523|17.516731|8.904952|5.779330|4.184828|3.876724|4.559935|3.912921|4.448844|9.022870|0.218601|6.869537|2.994051|4.846665|2.637041|15.223759|2.129690|0.065554|2.566875|2.400963|1.743877|0.046385|2.736778|0.055473|2.157228|2.417153|2.904139|5.451964|5.442997|1.615029|1.515653|1.409276|1.386259|1.458839|1.579124|1.402988|0.172715|0.207334|0.213725|0.305865|0.500000| |5.252137|6.997893|9.114468|17.705137|8.816482|5.654347|4.962310|3.691467|3.402404|5.733517|0.108783|5.720836|3.007847|5.340141|2.473855|14.870809|2.130614|0.066401|2.674647|2.470540|1.719502|0.045509|2.626352|0.051698|2.029141|2.121987|2.471603|4.969207|4.302782|1.575353|1.448796|1.343543|1.338070|1.434190|1.565057|1.399045|0.157071|0.122950|0.120479|0.220293|0.147584|0.500000| |3.434397|4.052947|5.575540|8.778237|17.750008|9.066971|5.642063|4.108192|3.359934|5.041290|0.090262|4.947444|3.596108|6.945317|2.798763|17.205354|2.517020|0.079774|3.227964|2.919337|1.964696|0.051709|2.978913|0.057414|2.260953|2.269123|2.627419|5.532949|4.391491|1.765322|1.592772|1.460606|1.458242|1.585428|1.759218|1.544809|0.101068|0.089852|0.081476|0.112633|0.097569|0.217050|0.500000| |3.037113|3.461276|4.773642|5.567925|8.994870|17.806628|8.731595|6.559883|4.426736|5.846422|0.098237|5.492955|6.276645|13.949596|4.193201|24.857496|3.628484|0.119952|4.529407|3.859526|2.543870|0.066834|3.975992|0.075584|2.923025|2.876943|3.466355|7.848459|5.599407|2.186904|1.937516|1.730766|1.704810|1.864552|2.131996|1.773095|0.085436|0.085380|0.072287|0.089169|0.088743|0.123920|0.214550|0.500000| |3.694405|3.785137|4.371699|3.603598|3.561123|4.275684|6.205416|8.845890|17.528304|12.399495|0.205644|6.307827|6.352856|8.280635|6.266843|27.978165|3.346156|0.100259|3.737520|3.273765|2.442739|0.067145|4.063515|0.086383|2.943938|3.386240|4.596880|8.415330|9.584813|2.127460|2.003615|1.781090|1.682288|1.749710|1.961721|1.606389|0.093248|0.122097|0.089181|0.087125|0.108185|0.084112|0.083047|0.107280|0.500000| |3.394651|3.788515|4.387410|3.622865|3.581728|4.300514|6.228170|8.919239|17.476639|12.265235|0.206127|6.315300|6.409085|8.314556|6.247000|29.072150|3.809131|0.118969|4.074318|3.652937|2.762163|0.073810|4.810380|0.101653|3.707133|4.615493|7.249438|12.642026|16.647919|2.419556|2.252713|1.996901|1.894855|1.985929|2.240524|1.816637|0.084138|0.105492|0.083717|0.088789|0.114382|0.084562|0.083521|0.107901|0.298404|0.500000| |2.509127|2.681754|3.103544|2.820796|3.004247|3.720634|4.702266|7.015028|7.068859|6.284658|0.111078|4.035519|8.823268|10.574403|17.695566|55.985957|5.870081|0.168344|5.659900|4.755988|3.697726|0.102216|6.869666|0.153747|4.566482|5.281378|7.712732|13.204589|14.693493|3.012084|2.786015|2.359192|2.172225|2.267594|2.643524|2.005580|0.065399|0.076568|0.062935|0.065957|0.077045|0.067648|0.073390|0.103501|0.194065|0.223888|0.500000| |2.450273|2.529503|2.944811|2.740302|2.979961|3.716401|4.498063|6.368846|5.772978|5.569250|0.098335|3.747672|8.991237|11.663770|17.520764|58.477687|5.041415|0.137575|5.433184|4.362846|3.253940|0.093449|5.464432|0.118486|3.467162|3.646460|4.595227|8.622367|8.400959|2.640039|2.458782|2.098565|1.936459|2.016310|2.332460|1.801406|0.065490|0.075412|0.061025|0.062422|0.070385|0.065989|0.073644|0.106443|0.180451|0.150513|0.302110|0.500000| |1.663902|1.773850|2.026669|2.032259|2.295588|2.707537|2.751033|3.141355|2.722490|3.149345|0.058199|2.320353|4.133570|8.065365|4.540606|53.147359|9.411180|0.183682|25.763026|12.978113|7.463844|0.225147|8.995018|0.159058|4.538009|3.624354|3.553595|6.819832|5.492078|4.794553|3.936736|3.097427|2.855319|3.128086|4.005254|2.665465|0.045294|0.048270|0.042618|0.046293|0.049336|0.051153|0.061121|0.084299|0.073447|0.077556|0.109951|0.111812|0.500000| |1.497876|1.615921|1.820928|1.844416|2.062956|2.349352|2.335604|2.551898|2.266530|2.724548|0.051142|2.026492|3.083319|5.936936|3.191821|30.172255|6.055836|0.142840|12.960956|25.941090|9.201295|0.211170|8.152442|0.133893|4.756067|3.494232|3.149036|5.945575|4.784311|6.841466|4.827385|3.835855|3.745185|4.471891|6.335612|3.729049|0.040710|0.042804|0.038758|0.042843|0.045221|0.047189|0.055878|0.072100|0.059970|0.065617|0.083079|0.078768|0.231137|0.500000| |1.700233|1.879005|2.080755|2.023177|2.164053|2.446111|2.597837|2.909906|2.765314|3.294209|0.062805|2.354339|3.257616|5.600690|3.474955|28.062648|5.578610|0.152728|6.451531|7.937401|7.371721|0.152009|12.386466|0.206978|17.715642|8.904736|5.459796|8.852341|7.602268|7.870926|5.949919|4.829029|4.682751|5.422489|7.248057|4.247516|0.044893|0.048684|0.044342|0.049400|0.054545|0.051364|0.056644|0.070562|0.070691|0.086687|0.102534|0.081606|0.112402|0.130664|0.500000| |1.925473|2.167112|2.476856|2.435985|2.675733|3.110508|3.273542|3.667529|3.291099|3.884828|0.072074|2.848283|4.200454|7.377004|4.171498|32.334680|7.357148|0.246134|7.842019|8.689578|6.348310|0.134478|12.317372|0.183502|17.700305|8.808512|6.810049|13.204394|8.468135|5.410099|4.135840|3.451448|3.423503|4.030180|5.284855|3.498518|0.050943|0.054958|0.049502|0.056762|0.062417|0.060848|0.069503|0.091149|0.081353|0.102261|0.119598|0.093840|0.125806|0.136387|0.301466|0.500000| |1.921435|2.107250|2.302130|2.146694|2.228354|2.538065|2.876455|3.394080|3.502621|3.995201|0.077125|2.690501|3.657400|5.760725|4.231076|30.535407|4.933134|0.136216|5.125333|5.278420|4.771497|0.120169|9.353467|0.222530|8.794837|17.555151|8.838492|10.541251|13.588814|4.468526|4.248226|3.584356|3.241594|3.320094|3.842462|2.792265|0.049803|0.056114|0.050172|0.054168|0.062492|0.053854|0.056765|0.070748|0.090150|0.118211|0.140808|0.098535|0.095306|0.090580|0.211733|0.172660|0.500000| |2.017012|2.277959|2.498831|2.345950|2.427236|2.729106|3.046912|3.439021|3.474160|4.155128|0.080138|2.874167|3.535940|5.710875|3.691264|25.479323|4.406584|0.133976|4.768693|5.012401|4.132936|0.099276|7.559644|0.150164|9.043485|17.534808|8.948386|11.826535|11.919127|4.010944|3.603477|3.204314|3.111498|3.348244|3.825824|2.957136|0.052079|0.057894|0.052654|0.059174|0.068146|0.058958|0.061861|0.075313|0.085506|0.116645|0.117749|0.085927|0.085782|0.086825|0.221328|0.212016|0.304803|0.500000| |1.382835|1.469151|1.594654|1.550532|1.647284|1.840094|1.944194|2.186911|2.123812|2.528433|0.048947|1.784235|2.495875|4.322680|2.860505|25.581069|4.052953|0.096034|5.414706|6.413578|7.090510|0.222438|7.557045|0.168155|4.580436|3.893935|3.168291|5.180604|5.171509|8.883287|17.693777|8.922532|5.652157|4.919461|5.627696|3.538942|0.036932|0.040022|0.036397|0.038618|0.042117|0.039866|0.043632|0.053409|0.057707|0.064107|0.081659|0.072579|0.111909|0.122204|0.142706|0.105574|0.119680|0.095569|0.500000| |1.219879|1.296437|1.384938|1.351554|1.418563|1.548582|1.617685|1.769367|1.739360|2.136156|0.041943|1.516148|1.942228|3.385445|2.133593|17.658233|2.783363|0.070561|3.782489|4.471728|4.120691|0.114262|4.774867|0.100144|3.376600|3.016717|2.474549|4.074086|4.108809|5.650356|8.920091|17.730329|8.930209|5.622882|4.960327|4.093302|0.032590|0.034981|0.032439|0.034458|0.037282|0.035212|0.037908|0.044499|0.047055|0.052261|0.061273|0.054951|0.076463|0.089615|0.110131|0.082220|0.090927|0.080107|0.215542|0.500000| |1.178420|1.264556|1.350323|1.332605|1.401143|1.511468|1.551816|1.660709|1.614270|2.020951|0.039685|1.456942|1.798167|3.184627|1.901333|15.327742|2.512859|0.066073|3.489442|4.239322|3.564090|0.091716|4.167340|0.082273|3.168399|2.764456|2.275594|3.845764|3.707242|4.959606|5.654859|8.952151|17.708573|8.908475|5.663958|7.024144|0.031560|0.033432|0.031390|0.033960|0.036311|0.034977|0.037800|0.043480|0.043055|0.048222|0.054180|0.048655|0.068418|0.086910|0.106136|0.081313|0.078860|0.076824|0.124426|0.216094|0.500000| |1.462651|1.602161|1.776560|1.786460|1.950487|2.164547|2.173863|2.332420|2.142342|2.634467|0.050206|1.948614|2.639813|4.865122|2.690087|22.658243|4.431840|0.118234|6.629896|10.096137|6.981686|0.143131|7.372612|0.122402|5.722268|3.989586|3.256284|5.913523|4.867309|8.911864|5.644924|4.960214|5.662675|8.934017|17.728779|6.993933|0.039340|0.041405|0.038216|0.042855|0.045533|0.046127|0.052721|0.064261|0.055636|0.063695|0.074257|0.065840|0.116094|0.198997|0.191455|0.164981|0.101441|0.106333|0.123933|0.107664|0.124350|0.500000| |1.176741|1.272699|1.371430|1.378840|1.468903|1.573791|1.574685|1.651291|1.566734|1.985565|0.038693|1.462800|1.789945|3.255416|1.826758|14.651812|2.483243|0.066924|3.606372|4.482269|3.354476|0.083125|3.884087|0.072857|2.994199|2.517156|2.142496|3.781866|3.418817|4.308781|3.974976|4.587708|6.675902|8.856390|5.918658|17.555378|0.031749|0.033082|0.031226|0.034488|0.036214|0.036382|0.040191|0.045788|0.041363|0.046132|0.051004|0.046562|0.069168|0.096047|0.097012|0.082682|0.067983|0.070613|0.090553|0.108017|0.188529|0.153607|0.500000| |1.300537|1.423158|1.548011|1.563582|1.678038|1.804817|1.795622|1.875278|1.758514|2.228595|0.043147|1.654588|2.034183|3.722902|2.041190|16.251669|2.874072|0.079344|4.150681|5.281275|3.791139|0.089352|4.498574|0.081500|3.643818|2.950775|2.484236|4.456271|3.865808|4.734416|3.956062|4.166090|5.568177|8.832614|7.235268|17.589363|0.035032|0.036455|0.034349|0.038589|0.040521|0.041094|0.045903|0.052697|0.045820|0.051956|0.056963|0.051238|0.076799|0.110183|0.119460|0.104772|0.076952|0.083864|0.090075|0.095913|0.140692|0.222263|0.301864|0.500000| |1.242832|1.354393|1.453107|1.450659|1.531660|1.637340|1.654009|1.734944|1.663472|2.115154|0.041391|1.550441|1.854396|3.327192|1.889761|14.823648|2.528044|0.069398|3.517365|4.305323|3.316195|0.080654|4.059739|0.076459|3.332748|2.848432|2.358148|4.099593|3.747041|4.274255|3.964262|4.611996|6.774448|8.850104|5.843492|17.559748|0.033311|0.034890|0.033053|0.036707|0.038865|0.038242|0.041631|0.047134|0.043570|0.049563|0.053616|0.047780|0.066412|0.087690|0.111904|0.091344|0.076620|0.082638|0.090232|0.108788|0.194106|0.150868|0.302336|0.301725|0.500000| 1763.582520 -10986.680467 4234.578041 -211.274902 -5199.794807 3434.448436 -1765.346371 2.001000 40AD100000000001 44B20A9C54E0525C 44332A1378F6C815 4200CABCA8000004 BBFD83C93FFFFFFF 43BB282D1FEFB213