Version2.1 2021-01-09T13:04:59Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 29-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CC1CCN(CC1)S(=O)(=O)c2ccc(c(c2)[N+](=O)[O-])NCc3ccc(nc3)n4ccnc4 C22227722 RHF 6-31G(d) (6D,7F) CC1CCN(CC1)S(=O)(=O)c2ccc(c(c2)[N+](=O)[O-])NCc3ccc(nc3)n4ccnc4 C01[X(C21H24N6O4S1)] 162 C1 532 CC1CCN(CC1)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NCc1ccc(nc1)n1cncc1 CC1CCN(CC1)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NCc1ccc(nc1)n1cncc1 CC1CCN(CC1)[S](=O)(=O)c2ccc(NCc3ccc(nc3)n4ccnc4)c(c2)[N+]([O-])=O InChIKey=KDMWQHJKWUDULX-UHFFFAOYSA-N InChI=1S/C21H24N6O4S/c1-16-6-9-26(10-7-16)32(30,31)18-3-4-19(20(12-18)27(28)29)23-13-17-2-5-21(24-14-17)25-11-8-22-15-25/h2-5,8,11-12,14-16,23H,6-7,9-10,13H2,1H3 InChI=1/C21H24N6O4S/c1-16-6-9-26(10-7-16)32(30,31)18-3-4-19(20(12-18)27(28)29)23-13-17-2-5-21(24-14-17)25-11-8-22-15-25/h2-5,8,11-12,14-16,23H,6-7,9-10,13H2,1H3 CC1CCN(CC1)S(=O)(=O)c2ccc(c(c2)[N+](=O)[O-])NCc3ccc(nc3)n4ccnc4 C01[X(C21H24N6O4S1)] 162 C01 532 CC1CCN(CC1)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NCc1ccc(nc1)n1cncc1 C[C@@H]1CCN(CC1)S(=O)(=O)[C]1[CH][CH][C]([C]([CH]1)[N]([O])[O])NC[C]1[CH][CH][C]([N][CH]1)N1C=[N][CH]=C1 CC1CCN(CC1)[S](=O)(=O)[C]2[CH][CH][C](NC[C]3[CH][CH][C]([N][CH]3)n4ccnc4)[C]([CH]2)N([O])[O] InChIKey=KDMWQHJKWUDULX-UHFFFAOYSA-N InChI=1S/C21H24N6O4S/c1-16-6-9-26(10-7-16)32(30,31)18-3-4-19(20(12-18)27(28)29)23-13-17-2-5-21(24-14-17)25-11-8-22-15-25/h2-5,8,11-12,14-16,23H,6-7,9-10,13H2,1H3 InChI=1/C21H24N6O4S/c1-16-6-9-26(10-7-16)32(30,31)18-3-4-19(20(12-18)27(28)29)23-13-17-2-5-21(24-14-17)25-11-8-22-15-25/h2-5,8,11-12,14-16,23H,6-7,9-10,13H2,1H3 3301.9151455722 -1832.6638996 1-A 24989.2343 120 412 532 |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| -92.21264 -20.61213 -20.61114 -20.55327 -20.55257 -15.87022 -15.63965 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2.5929 2.3075 3.6974 2.3233 3.8034 1.9167 2.1522 4.4301 1.7193 1.2945 1.8488 2.2406 3.0712 5.6308 2.5502 1.3545 1.6120 1.8457 1.3712 1.2528 1.3507 1.3511 1.8335 2.3595 1.8120 2.9568 1.7045 1.3320 1.3363 1.6652 1.4872 1.4252 2.1881 2.3987 3.3892 1.3399 3.4405 3.1028 1.0977 1.1497 2.6883 1.0467 1.0609 1.0835 1.0936 1.2719 3.3615 2.5796 2.7189 5.2666 3.2907 6.1914 5.0245 5.6974 8.7146 1.0842 1.0549 1.0520 1.0564 1.0594 1.0755 1.0770 1.1009 1.1071 1.1015 1.1020 1.1031 1.0927 1.0938 1.0928 1.0923 1.0906 1.0952 1.0941 1.0925 1.0962 1.0972 1.1036 1.0778 0.0002 0.0004 0.0006 0.0012 0.0015 0.0031 0.0039 0.0119 0.0131 0.0319 0.0334 0.0672 0.0618 0.1055 0.0740 0.0560 0.0773 0.1391 0.1713 0.0414 0.3246 0.2701 0.1410 0.4158 0.2363 0.4123 0.2073 0.2334 0.7134 0.3942 0.7178 0.4618 0.7887 0.3712 0.3280 0.5482 0.5007 0.7043 0.7853 1.1242 0.2249 0.7710 0.6178 1.1573 0.8436 1.2310 0.8696 2.1478 0.9812 1.9286 1.9097 1.7016 1.6517 2.0496 0.9967 2.1747 0.5574 4.4160 0.7153 3.1128 0.7946 1.0169 1.3027 0.8846 1.1042 3.7966 3.7900 0.8382 1.2259 1.2674 3.8063 0.8726 1.0119 1.3994 0.9918 1.1689 1.2162 1.0229 1.9318 1.0903 1.5270 1.4948 3.5352 2.1549 2.0065 3.2279 2.0295 3.3468 1.7451 1.9790 4.1166 1.6727 1.2776 1.8303 2.2239 3.1978 5.9558 2.7367 1.5269 1.8323 2.1112 1.5735 1.4607 1.6090 1.6805 2.2834 2.9607 2.2788 3.7789 2.2104 1.7887 1.8112 2.2920 2.0556 2.0149 3.1243 3.4282 4.8711 1.9396 5.0640 4.6472 1.7077 1.8161 4.2596 1.6662 1.6896 1.7395 1.7790 2.0955 5.5663 4.3141 4.6013 9.4853 6.0213 11.6642 9.4795 11.2009 17.6151 6.4024 6.3347 6.3265 6.3863 6.4090 6.5231 6.5469 6.7954 6.8501 6.8227 6.8951 6.9210 7.1761 7.1888 7.3075 7.3205 7.4569 7.5617 7.5746 7.6712 7.7064 7.7927 8.0416 9.6285 1.2387 0.7038 1.1805 2.0175 0.9614 1.5542 0.5756 0.2708 1.0406 0.0394 1.4554 1.0654 5.2099 0.9632 1.4981 1.0142 6.6595 0.3015 3.1531 0.0438 0.6146 4.2725 0.4939 4.4917 0.6940 3.8208 1.5908 2.1675 2.6949 4.4366 3.8464 3.2646 5.4161 1.5985 1.2398 3.1749 0.7834 2.2220 15.9887 6.0450 141.9833 22.2282 6.7365 76.5752 155.7228 12.8430 4.7230 7.6418 22.2004 25.1407 8.5460 140.5811 44.9249 30.1216 20.2090 36.3059 35.2559 21.8276 0.7689 7.5765 23.9925 26.6554 1.1578 32.5794 0.0845 9.6334 30.2042 0.0043 152.9639 38.6118 91.2353 3.3946 12.0760 6.6881 3.1007 0.0511 0.1048 0.5299 17.3374 1.0985 127.1870 96.4431 49.1495 6.0854 90.2926 67.2475 59.6456 47.7336 22.2335 12.0097 523.7408 54.9903 1.0373 3.1572 41.7775 14.4139 26.4429 4.1977 15.5100 36.5624 39.2341 33.1119 5.0086 22.1839 6.4646 217.4797 174.3156 72.8265 123.5557 9.2436 31.9850 21.5055 41.6822 2.1007 32.8965 22.5531 32.1194 4.0660 5.0598 181.7778 204.3986 0.0425 15.9777 158.8470 8.3521 5.8996 6.1137 20.4066 326.4802 348.5044 497.1972 14.9259 53.9382 350.1276 91.6374 104.4778 219.5067 701.9130 12.7069 15.7610 22.5702 40.1183 32.2820 2.1483 63.5929 49.7255 26.7675 71.0186 119.3094 47.6563 6.9646 4.7643 25.0971 13.2717 1.4545 5.0398 7.9649 11.8853 10.7843 1.2711 6.5729 127.8914 4.2702 0.4956 1.4609 3.0834 0.8927 5.0077 0.2466 1.8678 0.9964 1.0125 2.6958 0.9334 1.6321 2.1899 1.3061 0.1558 0.3782 0.7059 0.9002 0.0446 0.8683 2.9034 0.4615 4.4847 0.7067 1.1649 2.6702 1.2858 0.4950 0.9914 0.5868 2.2105 3.6582 0.3829 1.7725 6.3836 0.6784 1.0793 0.9463 1.7373 1.3625 0.9688 0.2815 3.0004 3.3310 0.3406 1.1775 7.7355 0.6380 9.3218 2.1268 10.6653 1.8748 1.4532 7.0370 4.5960 2.2710 1.7888 2.3325 7.6473 2.9430 9.0740 24.9726 7.6242 1.6111 6.2756 2.9041 1.5084 3.1008 3.0322 26.9704 0.3531 4.0748 2.5879 0.6465 3.1380 6.1466 0.7818 0.5080 0.8054 15.0841 4.1485 3.7621 2.8892 21.2494 4.3967 11.5423 7.9150 2.8344 0.7802 28.1118 14.4365 2.3939 10.2695 7.9621 10.7022 51.7664 20.6530 15.7112 11.5906 19.8047 2.5863 16.2751 4.1906 4.0123 71.5924 64.2119 11.0100 0.6985 0.7847 6.7210 1.5480 16.8400 5.1482 0.7088 33.1857 23.9669 9.3342 1.8802 74.1996 70.4210 9.4244 3.8399 63.1296 19.2368 8.8692 16.4197 9.4194 35.2066 32.3001 57.3674 18.8698 9.6454 17.0795 10.5750 131.4733 277.4237 9.7065 89.6626 12.1788 22.5014 262.3474 93.4950 20.2146 203.3609 64.6099 43.1059 60.5275 79.9769 89.2128 33.2093 49.3187 79.1676 75.9882 45.0552 55.1784 96.6332 28.8111 149.5153 54.7293 49.0370 78.1028 0.7499 0.7342 0.7441 0.7402 0.7420 0.7469 0.7496 0.7448 0.6370 0.7423 0.5011 0.6761 0.7496 0.5146 0.4437 0.5455 0.5052 0.4093 0.7148 0.6437 0.4292 0.5730 0.5312 0.1874 0.3621 0.7384 0.7352 0.7138 0.3874 0.2789 0.5832 0.6461 0.2064 0.4612 0.0646 0.6726 0.7370 0.6543 0.6639 0.3048 0.2396 0.4842 0.4890 0.2732 0.7320 0.6126 0.7488 0.6557 0.7498 0.1719 0.4684 0.0355 0.0372 0.4318 0.3856 0.2101 0.7429 0.7153 0.7500 0.7289 0.2726 0.0960 0.1197 0.1212 0.7495 0.5824 0.1460 0.7496 0.7068 0.7149 0.1323 0.7338 0.3809 0.7429 0.6382 0.7383 0.2043 0.6608 0.5334 0.3830 0.5288 0.6442 0.3589 0.7481 0.4615 0.7499 0.5045 0.5173 0.7066 0.4178 0.0647 0.7281 0.7400 0.1137 0.6032 0.5873 0.3346 0.1563 0.4625 0.1314 0.1848 0.7471 0.6999 0.7476 0.5664 0.2500 0.4476 0.7266 0.6495 0.7494 0.7467 0.7029 0.6185 0.7457 0.6316 0.0904 0.2034 0.2211 0.5346 0.3355 0.2241 0.7496 0.5682 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0.7232 0.4000 0.6184 0.8416 0.7875 0.8567 0.8550 0.8255 0.7643 0.8543 0.7742 0.1657 0.3381 0.3621 0.6967 0.5024 0.3661 0.8569 0.7246 0.2703 0.7825 0.8308 0.8562 0.8554 0.7836 0.8515 0.4438 0.5687 0.5600 0.3744 0.6610 0.7140 0.5427 0.6734 0.6232 0.8441 0.3779 0.1047 0.0229 0.7286 0.5871 0.7168 0.7788 0.2406 0.5816 0.8480 0.7419 0.4997 0.4561 0.5084 0.7768 0.3297 0.2587 0.3740 0.5366 0.3407 0.3011 0.2459 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 6 6 6 6 7 6 6 16 8 8 6 6 6 6 6 6 7 8 8 7 6 6 6 6 6 7 6 7 6 6 7 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 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 12.00000 12.00000 14.00307 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 5942.1231 42567.2635 43720.6937 0.99993 0.01147 0.00113 -0.01150 0.99939 0.03307 -0.00075 -0.03308 0.99945 1 0.01458 0.00203 0.00198 0.30372 0.04240 0.04128 13.39 14.77 20.36 28.49 32.40 44.80 59.84 65.16 91.13 119.42 150.26 166.52 211.97 230.55 246.12 260.66 261.08 282.02 345.45 364.48 415.08 439.61 445.51 466.57 473.18 495.32 509.03 525.40 575.61 595.13 614.34 651.45 658.15 685.90 693.43 716.07 717.09 746.00 761.40 792.29 814.49 857.67 872.88 905.50 935.32 945.26 975.10 1006.17 1031.33 1034.54 1071.91 1099.89 1139.89 1191.95 1210.59 1228.19 1252.28 1259.65 1270.45 1300.07 1321.07 1330.67 1364.86 1378.10 1402.27 1421.08 1446.18 1461.38 1467.59 1505.81 1522.66 1527.38 1545.10 1546.88 1567.10 1575.36 1576.21 1605.14 1620.11 1623.33 1652.32 1666.77 1688.80 1708.81 1747.90 1751.37 1751.89 1758.31 1788.56 1797.42 1806.89 1848.83 1862.09 1865.03 1867.42 1912.65 1927.77 1941.76 1990.21 1998.37 2004.72 2007.97 2023.96 2045.78 2090.49 2091.82 2099.69 2102.08 2119.05 2134.54 2172.10 2182.22 2199.04 2203.69 2228.71 2239.84 2240.87 2247.16 2255.26 2274.08 2293.98 2337.92 2355.81 2359.45 2364.89 2365.50 2374.95 2390.64 2405.93 2412.04 2424.04 2438.41 2515.52 2535.53 2572.77 2574.64 2628.20 2664.93 4554.91 4593.20 4596.67 4608.81 4610.37 4616.19 4621.52 4657.00 4662.52 4665.03 4688.63 4695.19 4803.50 4805.48 4847.06 4852.57 4901.36 4925.34 4931.93 4966.92 4969.88 4995.48 5059.76 5602.41 0.482527 0.509273 0.510217 0.417888 -1832.181373 -1832.154627 -1832.153682 -1832.246012 3.096763D-04 MUNgauss RevisionA2.0 retrievium 09-Jan-2021 DUDE CC1CCN(CC1)S(=O)(=O)c2ccc(c(c2)[N+](=O)[O-])NCc3ccc(nc3)n4ccnc4 C22227722 RHF 6-31G(d) (6D,10F) C1 456.157975 |X|Y|Z| 146.302084 46.247169 38.027634 63.603106 26 6 7 16 20 5 1 |36.858105| |12.467685|36.858105| |7.516168|12.419761|36.858105| |4.891892|7.514444|12.469362|36.858105| |4.401123|6.546236|7.715239|13.019546|53.358707| |4.892322|7.516554|6.521909|7.711218|17.733577|36.858105| |7.515699|12.419110|7.591486|6.520680|10.504301|12.468623|36.858105| |3.375142|4.362345|5.115601|7.058171|15.963642|7.053058|5.114640|388.023441| |2.971562|3.719786|3.947533|4.990931|10.552935|6.581840|4.621222|94.672733|73.516695| |2.966292|3.714379|4.607748|6.572947|10.552635|4.994826|3.943965|94.767693|13.561127|73.516695| |3.433296|4.104643|4.789603|5.351589|9.404211|5.336280|4.780087|76.557923|13.217101|13.185088|36.858105| |3.280140|3.744530|3.977352|4.146875|7.229707|4.876786|4.621552|49.137757|11.575300|8.859292|13.633175|36.858105| |3.044503|3.265035|3.436943|3.392066|5.412127|3.757517|3.827212|33.578909|7.919522|6.854827|7.918428|13.929437|36.858105| |2.932562|3.065724|3.362820|3.246354|4.845061|3.241842|3.358747|29.411939|6.538701|6.518434|6.716280|7.825662|13.460456|36.858105| |3.049432|3.270238|3.839183|3.768749|5.416324|3.390750|3.437420|33.571478|6.866414|7.880398|7.933384|6.907062|7.942073|13.439347|36.858105| |3.286913|3.757685|4.648016|4.916785|7.279051|4.161884|3.987993|49.544852|8.921681|11.582489|13.884404|7.986614|6.891667|7.766103|13.693558|36.858105| |2.762169|2.881229|3.424048|3.309279|4.474258|2.820557|2.884716|26.410201|5.485591|6.672945|5.170573|4.533207|5.071043|7.589359|13.166268|7.918881|53.358707| |2.492743|2.529872|2.897123|2.764189|3.755945|2.452258|2.539587|21.742480|4.714199|5.427144|4.075464|3.857324|4.544511|6.825587|8.341715|5.445711|21.554270|73.516695| |2.750753|2.906514|3.588133|3.519201|4.551042|2.793720|2.819937|26.438809|5.352018|7.080338|4.764394|3.940027|4.084323|5.344705|8.401778|7.250081|21.758253|16.086224|73.516695| |2.615884|2.637264|2.826528|2.682927|3.900375|2.686095|2.831030|22.760775|5.227211|5.198823|4.554731|5.217167|7.959128|14.145809|7.798599|5.143363|8.786251|12.810664|8.192449|53.358707| |2.394242|2.383336|2.461797|2.341094|3.443853|2.457921|2.601725|19.773676|4.744095|4.464068|3.717658|4.484611|6.613326|7.689936|5.019742|3.864556|5.892055|8.482356|6.063753|17.864666|36.858105| |2.130958|2.082447|2.148009|2.029548|2.914400|2.084226|2.214681|16.403100|3.929423|3.801640|2.928421|3.328314|4.371350|5.117517|3.922863|3.107555|5.095805|7.785095|5.412257|10.679729|12.631372|36.858105| |2.184319|2.082098|2.137216|1.977237|2.784800|2.002317|2.169918|15.259827|3.613892|3.556658|2.670402|2.952042|3.713766|4.347150|3.556462|2.862017|4.806854|7.399338|5.223770|8.322359|7.507247|13.664301|36.858105| |1.928791|1.832857|1.878937|1.746818|2.436569|1.753587|1.887812|13.273842|3.158459|3.137846|2.253265|2.439610|2.940539|3.358689|2.904524|2.412066|4.048228|6.221202|4.554188|5.935891|5.019949|7.934856|13.868821|36.858105| |1.718521|1.656812|1.702356|1.609459|2.257217|1.620246|1.715606|12.443580|2.992040|2.963312|2.089031|2.259774|2.694459|3.029842|2.641835|2.222834|3.682733|5.632758|4.183354|5.246996|4.496298|6.979517|8.028789|13.633803|36.858105| |1.691331|1.654690|1.705127|1.633484|2.317239|1.657820|1.733594|12.984351|3.148516|3.087991|2.194577|2.400970|2.894861|3.234806|2.767444|2.321208|3.793271|5.776006|4.266195|5.661512|5.062867|7.975766|6.937371|8.018898|14.529259|53.358707| |1.852130|1.826484|1.886274|1.811735|2.600885|1.856351|1.937969|14.759063|3.581769|3.470809|2.560751|2.865874|3.594745|4.058822|3.296720|2.700969|4.381868|6.667418|4.790087|7.550973|7.548646|13.810526|8.084456|7.055696|8.403477|19.598730|36.858105| |1.547474|1.489525|1.527537|1.448246|2.017813|1.450745|1.530728|11.053901|2.665271|2.654641|1.816699|1.939257|2.250436|2.490047|2.237829|1.926806|3.151953|4.746071|3.671308|4.113160|3.381740|4.616108|5.191535|7.807832|13.619345|11.286307|5.411071|53.358707| |1.405547|1.364836|1.400944|1.342366|1.874679|1.346190|1.405543|10.326001|2.507094|2.494276|1.677551|1.784168|2.043521|2.232285|2.027387|1.769841|2.850014|4.239202|3.356341|3.601339|2.934688|3.786534|3.927450|5.092791|7.687527|9.315904|4.639753|18.731142|36.858105| |1.317799|1.274122|1.304645|1.247713|1.731723|1.246367|1.303236|9.460331|2.295418|2.293888|1.517753|1.600715|1.806761|1.960222|1.808396|1.598824|2.554150|3.758033|3.052396|3.095471|2.471756|3.063943|3.260008|4.149865|5.392613|6.360182|3.529911|11.925991|14.181484|36.858105| |1.367626|1.309453|1.337510|1.267497|1.748822|1.261754|1.330815|9.465170|2.284468|2.291086|1.518383|1.596745|1.800535|1.960005|1.814809|1.603489|2.574009|3.788219|3.084104|3.093906|2.450559|3.039767|3.403988|4.493848|5.358528|5.792348|3.328599|11.767726|8.514133|13.825996|53.358707| |1.505245|1.435206|1.466625|1.381227|1.907985|1.376307|1.460829|10.327243|2.482395|2.486577|1.677517|1.773956|2.027729|2.230448|2.040584|1.778638|2.893247|4.308633|3.422886|3.596475|2.878939|3.719588|4.377410|6.384329|7.646741|7.185336|4.013473|18.971353|8.692417|9.003469|20.249367|36.858105| |17.545668|8.776909|6.852983|4.523215|5.240833|4.055297|5.469620|21.511131|4.709172|4.914525|3.049892|2.863457|2.693390|2.663833|2.818847|3.015143|3.593318|4.259688|4.766933|3.283130|2.198880|1.993232|2.062143|1.845116|1.646237|2.192066|1.746122|2.034038|1.359181|1.281712|1.816677|1.463893|0.500000| |17.542758|8.775409|5.469340|4.054443|5.240764|4.523310|6.852222|21.509383|4.923143|4.703132|3.048151|3.008336|2.812874|2.662500|2.695998|2.867746|3.322182|3.982461|4.277951|3.285922|2.266127|2.029889|2.082631|1.851073|1.654653|2.214763|1.774394|2.036962|1.362161|1.280823|1.810402|1.459919|0.301599|0.500000| |17.528657|8.780583|6.791615|4.525380|5.732078|4.524637|6.789258|24.179786|5.289426|5.277211|3.686667|3.589671|3.433073|3.351409|3.438960|3.594395|4.208505|4.978547|5.363199|4.079100|2.720391|2.405427|2.489119|2.165891|1.902291|2.536397|2.053556|2.308834|1.526362|1.424458|2.018944|1.646611|0.301556|0.301438|0.500000| |8.925570|17.471858|8.922399|6.873367|7.952043|6.878059|8.925045|27.898357|6.137830|6.134548|3.501258|3.201660|2.799326|2.632150|2.803332|3.212898|3.428295|3.972451|4.569145|3.129761|2.104116|1.862376|1.860868|1.659584|1.513411|2.058359|1.655878|1.868406|1.265960|1.187679|1.659309|1.327391|0.213410|0.213397|0.173573|0.500000| |6.842936|8.804095|17.528394|8.889380|7.638484|4.887883|5.511007|29.343612|5.850836|7.083342|3.896749|3.294263|2.949099|2.967067|3.403233|3.969827|4.348064|4.873987|6.112084|3.492689|2.243480|2.000023|2.013564|1.793862|1.626338|2.201659|1.769441|2.002924|1.351144|1.265952|1.772787|1.423267|0.204460|0.140285|0.167255|0.215791|0.500000| |6.938696|8.836488|17.512289|8.860807|9.326259|5.696848|6.801745|37.146500|7.021882|8.274400|5.583430|4.559424|4.020624|4.050160|4.758511|5.733931|5.670481|6.115864|7.664787|4.532298|2.817296|2.428591|2.419767|2.096225|1.880362|2.560813|2.099219|2.273426|1.520509|1.408069|1.967438|1.596827|0.172254|0.140950|0.205634|0.174295|0.302757|0.500000| |4.500785|6.750991|8.835786|17.530219|12.545852|6.936593|5.713830|39.797888|7.846521|9.717426|4.197780|3.441672|2.876028|2.744811|3.106545|3.870593|3.809909|4.260286|5.298176|3.170147|2.072707|1.822484|1.782268|1.592890|1.475888|2.035311|1.644103|1.822860|1.247453|1.165641|1.611720|1.283162|0.119271|0.107546|0.110749|0.202113|0.215955|0.173662|0.500000| |4.055898|5.474296|8.770308|17.671303|12.441974|5.632624|4.893268|50.078672|8.442709|14.181151|5.463092|4.026924|3.346268|3.312754|4.025940|5.436116|4.936617|5.268169|7.140733|3.713795|2.339628|2.038292|1.978739|1.753729|1.623131|2.247824|1.829827|1.989822|1.358381|1.261548|1.740127|1.391456|0.107994|0.094568|0.108404|0.140341|0.210751|0.214342|0.304043|0.500000| |4.504012|6.758999|5.719212|6.939253|12.548855|17.529049|8.839110|39.764451|9.699815|7.860684|4.189500|3.844518|3.098682|2.741936|2.876078|3.454168|3.366583|3.869987|4.417489|3.173114|2.156044|1.863510|1.801448|1.598317|1.484587|2.061729|1.678662|1.825717|1.250668|1.164523|1.605133|1.279104|0.107638|0.119334|0.110790|0.202507|0.128224|0.131844|0.205600|0.142779|0.500000| |4.054869|5.473866|4.892428|5.632648|12.449822|17.671123|8.765726|50.016163|14.232025|8.453533|5.433280|5.376564|4.006745|3.303284|3.339507|4.034337|3.718352|4.266787|4.720604|3.720046|2.545849|2.133626|2.020999|1.764829|1.641490|2.305849|1.908841|1.995283|1.364799|1.258970|1.726349|1.382722|0.094561|0.107970|0.108333|0.140415|0.107668|0.127765|0.142786|0.127212|0.304053|0.500000| |6.937195|8.837063|6.804974|5.699731|9.333829|8.859215|17.506387|37.157225|8.314248|7.011350|5.570644|5.703919|4.740271|4.043838|4.020247|4.568343|4.428919|5.081035|5.497080|4.543813|3.047207|2.532458|2.470553|2.109402|1.899422|2.616447|2.175750|2.279544|1.526809|1.406252|1.955359|1.588984|0.140943|0.172186|0.205523|0.174319|0.139273|0.199479|0.131815|0.127888|0.173663|0.214071|0.500000| |6.843544|8.803373|5.510665|4.886131|7.638890|8.886169|17.523771|29.333704|7.100862|5.848370|3.887806|3.949306|3.391157|2.962389|2.948301|3.300046|3.428335|4.031740|4.352656|3.500709|2.431608|2.094319|2.061040|1.807238|1.646314|2.259108|1.844062|2.009677|1.358280|1.263808|1.758550|1.414318|0.140305|0.204484|0.167212|0.215844|0.123316|0.139231|0.128081|0.107660|0.215901|0.210663|0.302532|0.500000| |3.168450|3.655657|3.691188|3.917567|7.144299|5.245857|4.762485|46.905948|13.276304|8.167273|8.898178|17.748608|9.012140|5.603524|4.972588|5.676389|4.915530|5.648335|5.758283|5.754279|3.924569|2.995835|2.671099|2.242822|2.096203|3.033916|2.631254|2.472832|1.683584|1.517396|2.056408|1.667943|0.076194|0.082847|0.094082|0.088630|0.085118|0.111968|0.093216|0.102592|0.114562|0.176325|0.158977|0.116975|0.500000| |2.821033|2.958764|3.001092|2.939224|4.662683|3.392119|3.499046|27.870553|6.964716|5.767762|5.658658|9.054638|17.792563|8.855775|5.640487|4.968244|5.581601|6.921676|6.010661|9.883621|7.559328|4.742776|3.905653|3.066468|2.827320|4.184789|3.887076|3.188593|2.126595|1.868949|2.526080|2.094802|0.069312|0.074218|0.087993|0.071494|0.072554|0.094915|0.071019|0.079533|0.079225|0.102469|0.118895|0.089476|0.219424|0.500000| |3.176570|3.668902|4.790995|5.288818|7.178763|3.928010|3.699795|47.070827|8.184449|13.206600|8.958948|5.663159|4.968873|5.587993|8.968478|17.801324|10.114418|9.009668|14.885721|5.683064|3.243672|2.729160|2.562550|2.211218|2.049706|2.890550|2.419712|2.453971|1.665920|1.517631|2.074645|1.678702|0.083088|0.076344|0.094268|0.088954|0.117683|0.159828|0.115377|0.178532|0.093503|0.102687|0.112155|0.085260|0.124467|0.107908|0.500000| |2.462969|2.466434|2.683291|2.543795|3.606553|2.454767|2.578461|20.888461|4.741821|4.930103|4.023910|4.300212|5.821167|9.514127|7.292919|4.772909|10.003820|17.610373|9.002404|26.110089|9.049138|7.598636|6.334966|4.667332|4.124660|5.970816|5.653268|4.389860|2.804859|2.403780|3.275370|2.811601|0.064209|0.062873|0.077913|0.060235|0.068966|0.087565|0.061707|0.072920|0.059973|0.068501|0.082716|0.065127|0.098770|0.146885|0.113035|0.500000| |2.596210|2.551862|2.571858|2.408915|3.570879|2.612876|2.830035|20.020181|4.844226|4.418924|3.725643|4.647039|6.800252|6.876557|4.611392|3.725182|5.282182|7.281601|5.598975|12.451357|17.557112|8.935154|6.865578|4.660854|4.031342|5.870014|5.823355|4.246813|2.699064|2.318346|3.173345|2.731455|0.065313|0.068917|0.082880|0.062131|0.064563|0.081656|0.059279|0.065696|0.063290|0.075502|0.093711|0.074221|0.115866|0.236208|0.086631|0.184147|0.500000| |2.213926|2.243389|2.312040|2.250460|3.363789|2.402839|2.481729|19.757029|4.863346|4.456600|3.665247|4.521399|6.526230|6.755744|4.589659|3.695349|5.311122|7.435952|5.595793|12.348394|17.536944|8.934057|5.590198|4.208053|4.063164|6.595772|7.293226|4.291155|2.837840|2.382391|3.149429|2.662475|0.056459|0.058590|0.068618|0.055596|0.058402|0.072344|0.055701|0.062584|0.058764|0.070266|0.079766|0.064764|0.112831|0.221556|0.086389|0.191636|0.302811|0.500000| |2.452308|2.296731|2.346900|2.127871|2.977000|2.149999|2.377640|16.042936|3.758681|3.709891|2.822850|3.109673|3.899407|4.576346|3.768155|3.031571|5.050308|7.603964|5.495342|8.430799|6.919090|8.875009|17.706569|8.978790|5.679697|6.784488|5.697945|5.694194|3.278078|2.838285|4.112247|3.787871|0.064108|0.064676|0.079102|0.056436|0.061334|0.074618|0.053003|0.058759|0.053468|0.059766|0.075987|0.062568|0.077662|0.112103|0.075133|0.173061|0.196685|0.139981|0.500000| |1.917244|1.798570|1.837141|1.692593|2.336427|1.687005|1.830165|12.555299|2.976016|2.978599|2.101417|2.246160|2.648785|2.997325|2.666333|2.250617|3.759145|5.701936|4.315414|5.072676|4.086471|5.645776|8.958432|17.787191|8.808838|7.756028|5.052013|9.575196|4.656349|4.087342|6.487221|6.992539|0.051368|0.051233|0.059796|0.045371|0.049142|0.056717|0.043067|0.047105|0.042945|0.046831|0.056438|0.048851|0.057635|0.075893|0.057965|0.110615|0.109696|0.096523|0.216359|0.500000| |1.782447|1.782034|1.843355|1.796938|2.606035|1.855190|1.907798|15.022492|3.689802|3.535968|2.598649|2.930291|3.653837|4.013346|3.259430|2.708865|4.254278|6.324551|4.675801|7.110777|6.950609|8.918961|5.690946|5.046167|5.925094|12.757131|17.700711|5.988433|4.093940|3.180320|3.988902|3.383018|0.046562|0.047484|0.054421|0.045062|0.047846|0.056648|0.045369|0.050532|0.046625|0.053450|0.059258|0.050413|0.075299|0.110818|0.067265|0.143557|0.148321|0.221647|0.124274|0.109205|0.500000| |1.388309|1.359138|1.397795|1.349605|1.895914|1.358545|1.408080|10.535964|2.570656|2.546316|1.714106|1.830019|2.099878|2.284616|2.064570|1.803042|2.883281|4.277844|3.383943|3.682967|3.026288|3.864002|3.773746|4.586745|6.882128|10.184397|5.024298|12.104505|17.883845|8.618059|7.888313|5.942412|0.037172|0.037348|0.041778|0.035036|0.037312|0.042110|0.034817|0.038002|0.035024|0.038434|0.042499|0.037749|0.048035|0.060932|0.047023|0.079316|0.076186|0.083325|0.086986|0.112136|0.128798|0.500000| |1.227625|1.190872|1.218966|1.171172|1.624876|1.169657|1.217366|8.878005|2.160971|2.160313|1.411684|1.483238|1.658039|1.785413|1.660208|1.482211|2.342379|3.414247|2.823062|2.777671|2.200118|2.650612|2.766741|3.370761|4.189203|5.234552|3.036025|8.047364|8.766447|17.812400|12.127129|6.089979|0.033229|0.033200|0.036656|0.030971|0.032918|0.036362|0.030510|0.032917|0.030474|0.032838|0.036305|0.032850|0.039233|0.047553|0.039264|0.059643|0.057538|0.059592|0.068092|0.092410|0.078225|0.193905|0.500000| 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