Version2.4 2021-05-26T00:12:04Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 28-Dec-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE CCOC(=O)[C@@H]1[C@H]([N-]C(=NC1=O)N2CCN(CC2)C(=O)OCC)c3ccc(cc3)[N+](=O)[O-] C20801134 RHF 6-31G(d) (6D,7F) CCOC(=O)[C@@H]1[C@H]([N-]C(=NC1=O)N2CCN(CC2)C(=O)OCC)c3ccc(cc3)[N+](=O)[O-] C01[X(C20H24N5O7)] 162 C1 528 CCOC(=O)[C@H]1C(=O)N=C([N-][C@@H]1c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)C(=O)OCC CCOC(=O)[C@H]1C(=O)N=C([N-][C@@H]1c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)C(=O)OCC CCOC(=O)[C@@H]1[C@H]([N-]C(=NC1=O)N2CCN(CC2)C(=O)OCC)c3ccc(cc3)[N+]([O-])=O InChIKey=FBEVVKIHOSNKJL-HZPDHXFCSA-M InChI=1S/C20H25N5O7/c1-3-31-18(27)15-16(13-5-7-14(8-6-13)25(29)30)21-19(22-17(15)26)23-9-11-24(12-10-23)20(28)32-4-2/h5-8,15-16H,3-4,9-12H2,1-2H3,(H,21,22,26)/p-1/t15-,16-/m1/s1 InChI=1/C20H25N5O7/c1-3-31-18(27)15-16(13-5-7-14(8-6-13)25(29)30)21-19(22-17(15)26)23-9-11-24(12-10-23)20(28)32-4-2/h5-8,15-16H,3-4,9-12H2,1-2H3,(H,21,22,26)/p-1/t15-,16-/m1/s1/fC20H24N5O7/q-1 CCOC(=O)[C@@H]1[C@H]([N-]C(=NC1=O)N2CCN(CC2)C(=O)OCC)c3ccc(cc3)[N+](=O)[O-] C01[X(C20H24N5O7)] 162 C01 528 CCOC(=O)[C@H]1C(=O)N=C([N-][C@@H]1c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)C(=O)OCC CCOC(=O)[C@H]1[C](=O)[N][C]([N][C@@H]1[C]1[CH][CH][C]([CH][CH]1)[N]([O])[O])N1CC[N]([C](=O)OCC)CC1 CCOC(=O)[C@@H]1[C@H]([N][C]([N]C1=O)N2CCN(CC2)C(=O)OCC)[C]3[CH][CH][C]([CH][CH]3)N([O])[O] InChIKey=JEDBNXBQSYBBJE-HZPDHXFCSA-N InChI=1S/C20H24N5O7/c1-3-31-18(27)15-16(13-5-7-14(8-6-13)25(29)30)21-19(22-17(15)26)23-9-11-24(12-10-23)20(28)32-4-2/h5-8,15-16H,3-4,9-12H2,1-2H3/t15-,16-/m1/s1 InChI=1/C20H24N5O7/c1-3-31-18(27)15-16(13-5-7-14(8-6-13)25(29)30)21-19(22-17(15)26)23-9-11-24(12-10-23)20(28)32-4-2/h5-8,15-16H,3-4,9-12H2,1-2H3/t15-,16-/m1/s1 3247.8813278566 -1567.6071914 1-A 19950.6237 118 410 528 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2.8900 2.2318 2.2758 3.0964 3.1047 3.3664 1.5614 1.5977 1.3380 2.2669 4.0802 1.1287 1.7974 2.1668 2.1190 1.4443 1.1454 2.2212 1.1211 2.3808 2.1775 1.4875 1.9729 1.3057 1.4806 1.7726 1.4779 1.3651 1.3131 1.6169 2.2455 2.1399 1.6141 2.4153 1.4776 2.5751 10.8335 1.0432 1.0425 1.0868 1.0521 1.0550 1.1026 1.1464 1.1296 2.2953 1.0949 1.1366 7.6966 7.4313 5.4030 11.2827 11.5664 11.3479 11.8412 1.0754 1.0756 1.0738 1.0744 1.0853 1.0402 1.0369 1.0601 1.0647 1.0963 1.0955 1.1051 1.1071 1.0855 1.1078 1.1099 1.0927 1.0923 1.0889 1.0913 1.0896 1.0901 1.0940 1.0949 0.0004 0.0007 0.0018 0.0020 0.0020 0.0061 0.0066 0.0153 0.0072 0.0148 0.0181 0.0134 0.0241 0.0308 0.0303 0.0385 0.0636 0.0671 0.1179 0.1620 0.1051 0.1811 0.1060 0.1357 0.0711 0.0778 0.1131 0.2825 0.3808 0.1998 0.4356 0.6826 0.4160 0.2224 0.4039 0.3703 0.5699 1.0010 0.5301 0.5919 0.6746 1.5394 1.0099 1.0996 1.4984 1.1663 1.9808 1.6638 1.8750 0.8374 1.3767 1.7229 1.9409 3.3459 2.7794 1.1496 0.7805 0.8466 0.8540 2.5676 0.8767 2.0578 0.6708 1.6624 2.6028 1.2463 1.6746 1.5370 3.0620 1.4800 2.3512 2.0784 1.8552 1.1735 1.3935 1.2918 1.6454 2.1459 2.1091 3.1459 1.4112 1.3771 2.2229 2.6019 2.0392 2.1052 2.9536 3.0013 3.3502 1.5558 1.5931 1.3437 2.3183 4.2847 1.2011 1.9770 2.4077 2.4147 1.7127 1.3653 2.6487 1.3375 2.9043 2.6738 1.8405 2.4863 1.7166 1.9741 2.4283 2.0381 1.8919 1.8404 2.2967 3.2461 3.1104 2.3677 3.5644 2.1867 3.9806 16.8505 1.6313 1.6333 1.7212 1.6735 1.6805 1.7615 1.8440 1.8374 3.7703 1.8065 1.8881 13.4181 13.5812 10.2498 22.6520 24.7852 24.9601 27.0335 6.1793 6.2214 6.4290 6.4603 6.5702 6.3021 6.2912 6.5871 6.6490 6.9232 6.9217 6.9940 7.0187 6.8972 7.1289 7.1618 7.1688 7.1791 7.2302 7.2778 7.2850 7.5307 7.5876 7.6294 0.3294 1.4570 0.0718 0.5880 0.2175 0.9197 0.6938 0.0019 0.0866 0.6921 0.6828 1.5639 2.6410 6.1279 3.1663 1.9853 2.0700 2.3137 1.9703 1.1058 5.2518 6.4582 11.1983 12.6858 5.8000 3.3040 3.9223 1.9104 1.1610 7.8052 0.8916 10.7876 9.4130 3.4199 2.3664 0.0783 13.4431 14.0060 1.5869 1.2280 14.3916 3.3086 12.0135 7.9003 17.4617 23.1996 0.3913 23.8087 4.2477 4.0199 5.0257 26.9010 15.4103 38.3070 33.2954 40.0239 7.7881 6.8591 11.4707 4.5654 0.1665 22.4183 0.2729 22.8889 44.6229 4.6172 3.2107 9.6595 14.0422 3.9077 3.6106 1.3289 120.1962 21.7565 5.6272 11.6615 26.3689 2.3607 31.1300 50.1883 0.9117 4.5946 34.4050 62.5440 2.9203 28.9705 9.3340 142.8509 32.7432 4.8055 11.7072 3.2300 33.1358 25.5915 15.6102 45.4026 328.7348 581.3532 51.3401 19.3980 214.0697 8.8039 261.7865 218.8685 60.1147 208.2393 0.9054 130.8089 38.3361 150.7678 28.4152 13.0325 55.4783 828.6274 40.6923 5.6671 401.3571 6.4045 310.4333 556.1610 3.0376 3.7727 4.3484 2.2999 4.4924 17.7178 44.2428 2.1051 0.3498 3.1599 18.5635 768.9410 89.3090 43.2824 374.1813 596.2164 642.3145 317.5745 27.1499 117.5320 21.5261 114.8261 38.8686 37.5230 29.8478 22.8116 10.2377 63.8161 72.1998 7.5918 1.3749 14.4228 66.2907 65.6606 15.2038 21.0117 7.1964 11.0695 5.4171 0.2716 0.9102 0.9090 0.9437 0.7257 6.8262 1.3511 0.3277 1.3904 0.3022 0.1709 0.1791 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106.2265 65.9949 81.3407 91.4975 99.1275 69.1739 2.5536 14.5618 64.9619 78.5395 49.7149 58.6950 58.8199 38.7985 84.6304 86.4959 0.7488 0.7476 0.7489 0.7186 0.7467 0.7486 0.6352 0.7479 0.7252 0.7494 0.6902 0.7402 0.6880 0.6901 0.7495 0.7399 0.3218 0.7141 0.2225 0.3016 0.4128 0.1091 0.7404 0.5124 0.5188 0.3821 0.7233 0.5513 0.6615 0.7498 0.2914 0.7460 0.4497 0.0560 0.2766 0.7186 0.6764 0.3366 0.6542 0.5006 0.3012 0.5551 0.4828 0.1073 0.3967 0.1545 0.7017 0.2516 0.1992 0.0347 0.4864 0.7427 0.0264 0.7247 0.5181 0.7491 0.6658 0.4566 0.7296 0.2392 0.1667 0.0387 0.6862 0.2468 0.1320 0.5027 0.2403 0.1940 0.1297 0.0985 0.7234 0.6579 0.7339 0.7392 0.5397 0.4787 0.7438 0.6931 0.7484 0.7041 0.7499 0.7133 0.2200 0.2581 0.1663 0.1448 0.4572 0.7309 0.4937 0.7367 0.7285 0.7208 0.6853 0.1276 0.7470 0.4239 0.3611 0.5481 0.6781 0.7219 0.2287 0.7071 0.6548 0.7156 0.5866 0.6695 0.7500 0.3526 0.7392 0.5884 0.5531 0.4119 0.4542 0.6583 0.7138 0.7454 0.4040 0.3972 0.3653 0.2785 0.7316 0.7484 0.7498 0.7351 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0.8020 0.8571 0.5213 0.8501 0.7409 0.7123 0.5835 0.6247 0.7940 0.8330 0.8541 0.5755 0.5686 0.5351 0.4356 0.8450 0.8561 0.8570 0.8473 0.8433 0.8483 0.8567 0.8422 0.4801 0.8552 0.8483 0.2463 0.5843 0.6559 0.6556 0.4417 0.5205 0.7682 0.6668 0.3636 0.6589 0.3374 0.2988 0.1987 0.0903 0.2305 0.3270 0.8414 0.6794 0.8557 0.8562 0.4241 0.8498 0.8546 0.6629 0.4852 0.3849 0.4733 0.3842 0.8353 0.4445 0.2389 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 8 6 8 6 1 6 1 7 6 7 6 8 7 6 6 7 6 6 6 8 8 6 6 6 6 6 6 6 6 7 8 8 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 15.99491 12.00000 15.99491 12.00000 1.00783 12.00000 1.00783 14.00307 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11094.4694 26921.5287 34645.4046 0.99984 0.01753 0.00423 -0.01754 0.99984 0.00321 -0.00417 -0.00329 0.99999 1 0.00781 0.00322 0.00250 0.16267 0.06704 0.05209 15.40 22.50 34.21 36.94 40.19 59.25 68.33 93.73 95.67 109.16 109.53 125.89 140.56 166.21 167.98 191.82 208.24 222.62 259.53 275.53 279.51 345.10 360.23 385.00 403.52 415.58 416.77 440.60 464.99 477.33 534.36 557.40 579.77 613.23 621.77 660.09 666.19 690.90 727.09 749.98 763.06 825.27 847.15 879.25 929.23 954.40 992.54 1015.61 1028.08 1038.51 1106.03 1139.16 1182.16 1238.25 1243.64 1247.68 1267.59 1272.54 1276.54 1300.35 1346.61 1352.20 1362.00 1373.75 1388.03 1405.84 1409.06 1420.27 1486.67 1510.81 1538.13 1570.54 1580.35 1589.20 1598.22 1602.64 1611.55 1657.99 1668.69 1704.92 1705.64 1741.52 1753.24 1778.54 1791.70 1802.77 1830.70 1842.93 1869.91 1871.05 1871.77 1878.42 1895.59 1920.84 1933.59 1965.85 1975.90 2000.93 2041.21 2046.44 2046.86 2047.30 2070.25 2077.12 2085.04 2104.23 2149.18 2164.42 2193.88 2201.18 2206.68 2219.07 2233.99 2253.68 2259.88 2270.19 2277.09 2280.27 2330.50 2337.71 2343.90 2346.18 2358.89 2364.07 2365.63 2369.24 2377.29 2390.64 2402.31 2407.71 2415.87 2474.93 2533.98 2581.73 2655.92 2743.88 2779.93 2832.18 4493.14 4507.97 4586.39 4596.26 4611.94 4613.66 4617.03 4672.41 4684.27 4710.35 4711.68 4715.45 4719.59 4724.86 4755.03 4761.50 4801.20 4805.35 4830.03 4840.52 4846.63 4926.56 4936.47 4947.94 0.481426 0.509917 0.510861 0.415729 -1567.125765 -1567.097275 -1567.096331 -1567.191462 3.190709D-04 MUNgauss RevisionA2.1 retrievium 26-May-2021 DUDE CCOC(=O)[C@@H]1[C@H]([N-]C(=NC1=O)N2CCN(CC2)C(=O)OCC)c3ccc(cc3)[N+](=O)[O-] C20801134 RHF 6-31G(d) (6D,10F) C1 446.167573 |X|Y|Z| 72.434235 116.659323 33.081540 65.385736 18 6 7 14 4 |36.858105| |12.574831|36.858105| |8.078601|13.465284|73.516695| |5.287605|8.128885|25.654528|36.858105| |4.629119|7.220985|15.343020|15.944572|73.516695| |4.034863|5.142941|14.194663|12.571321|14.194755|36.858105| |3.493984|4.397319|10.830985|9.171281|13.162028|17.618289|0.500000| |3.439084|4.197955|10.138424|7.640333|11.042174|12.307061|0.242380|36.858105| |3.367717|4.246662|9.594197|7.537670|12.662477|8.894879|0.203671|17.540645|0.500000| |3.596706|4.133768|9.722474|6.070033|8.695185|7.700048|0.156116|13.292275|0.258443|53.358707| |3.891431|4.209173|10.176980|5.631205|7.696247|7.098480|0.144271|8.226374|0.167947|20.012768|36.858105| |3.995934|4.248479|10.704137|5.742255|7.573014|7.750320|0.160960|6.806479|0.140293|10.844092|14.179618|53.358707| |4.057351|4.624796|12.459271|7.447208|9.234351|12.397644|0.248423|7.530687|0.154036|9.171870|8.295108|19.416265|36.858105| |3.739142|4.136657|10.211809|5.919339|8.000460|8.092013|0.214129|5.317834|0.119325|6.434689|5.538063|11.467306|15.719456|73.516695| |3.687825|3.706121|8.117126|4.217418|6.145235|4.714232|0.104764|5.302799|0.123432|11.348367|13.644129|11.285968|5.422241|7.450137|53.358707| |3.381354|3.223278|6.817364|3.463822|5.135091|3.838741|0.089594|3.989386|0.094673|7.194470|7.713879|9.602272|4.732119|7.065001|17.935283|36.858105| |3.314690|3.011733|5.971420|2.968079|4.541333|3.093988|0.073894|3.187793|0.079534|5.513581|5.155874|6.429232|3.592355|5.601892|10.658221|12.520225|36.858105| |2.919409|2.724326|5.281727|2.706151|4.251960|2.800000|0.067508|3.017612|0.077227|5.278723|4.527631|5.275865|3.076001|4.776672|9.218572|7.766553|13.054775|53.358707| |3.075102|2.972086|5.780611|3.011163|4.758433|3.087185|0.073317|3.484651|0.090686|6.415092|5.163984|5.499025|3.238787|4.883999|10.650034|6.635268|7.754587|17.777510|36.858105| |3.135044|3.178463|6.549261|3.534788|5.452930|3.829636|0.088657|4.612948|0.114970|9.600186|7.757959|7.161071|4.015019|5.787768|17.978707|7.912328|6.644351|10.576071|12.510424|36.858105| |2.516559|2.332803|4.410731|2.279544|3.654365|2.338203|0.057639|2.493373|0.064868|4.162512|3.435823|4.176837|2.539971|4.054897|6.250415|5.253381|7.876484|19.277145|7.691200|5.197480|36.858105| |2.368453|2.166967|4.072032|2.096284|3.366791|2.149807|0.053586|2.242617|0.058226|3.641674|3.029186|3.839697|2.366164|3.857437|5.273687|4.660876|6.871013|11.449727|5.298492|4.075435|15.851113|73.516695| |2.294761|2.165061|4.043035|2.124947|3.466193|2.165263|0.053789|2.350581|0.062304|3.886629|3.064819|3.666338|2.285244|3.647529|5.343353|4.106178|5.307743|11.610247|7.084938|4.763558|14.252031|15.263783|73.516695| |2.000893|1.884815|3.477296|1.837961|3.032776|1.866566|0.047062|2.002714|0.053469|3.209464|2.503450|3.078723|1.963334|3.189712|4.157685|3.229565|4.002931|7.337138|4.643713|3.530903|8.130128|12.942895|23.920526|36.858105| |1.845231|1.765449|3.233193|1.731819|2.896709|1.750826|0.044427|1.899481|0.051453|3.009670|2.280101|2.782263|1.804369|2.930285|3.678683|2.736677|3.202901|5.659366|4.025519|3.185904|5.272753|8.260204|14.347950|12.571667|36.858105| |2.723331|3.181350|7.150696|5.026989|7.989364|7.536831|0.202363|12.428570|0.252766|10.440717|5.876090|7.316556|5.899738|8.393231|5.820300|3.475868|2.787817|3.637195|3.000443|3.909213|2.264554|3.662779|3.827111|1.864074|1.779846|36.858105| |2.449967|2.888526|6.225165|4.449731|7.679209|5.987547|0.188710|7.541560|0.201495|6.932577|4.172640|5.466449|4.604101|7.189475|4.454718|2.779196|2.321507|3.049279|2.484349|3.067196|1.946100|3.183856|3.324387|1.648349|1.590411|13.642928|36.858105| |2.091679|2.396950|5.007091|3.390332|5.901830|4.289843|0.133723|5.000931|0.133623|5.311167|3.381258|4.510416|3.671873|6.036522|3.801843|2.458484|2.080428|2.751521|2.204876|2.667793|1.786346|2.947467|3.067736|1.540177|1.492779|7.869593|13.825601|36.858105| |1.965125|2.195491|4.576712|2.979596|5.047660|3.769984|0.111804|4.427020|0.113049|5.112965|3.360464|4.480665|3.483400|5.745119|3.869571|2.548354|2.137382|2.837296|2.248739|2.740066|1.848310|3.055375|3.170018|1.593755|1.540538|6.874919|8.016430|13.742579|36.858105| |2.090411|2.306952|4.886945|3.120288|5.110140|4.056491|0.113881|4.969691|0.119424|6.088888|4.056143|5.315560|3.933348|6.281063|4.645507|3.042010|2.476741|3.282720|2.601172|3.277535|2.109449|3.463671|3.588925|1.783019|1.707972|7.896459|6.887397|7.888175|13.773201|36.858105| |2.448534|2.736823|6.001476|3.890531|6.148854|5.399345|0.142629|7.433714|0.160959|8.980796|5.680428|7.098382|5.144414|7.602895|6.004542|3.711567|2.910034|3.818917|3.092894|4.108331|2.383100|3.858994|4.013639|1.954298|1.856506|13.709845|7.960123|6.856573|7.988581|13.776915|36.858105| |1.712745|1.885483|3.838797|2.440995|4.190417|2.949851|0.087338|3.311057|0.086764|3.998071|2.705462|3.645373|2.800578|4.760810|3.237944|2.191909|1.879868|2.510000|1.961700|2.322299|1.665258|2.779051|2.873162|1.465277|1.423874|4.512756|5.144966|7.785382|13.133884|7.785939|5.133497|53.358707| |1.624861|1.795790|3.609414|2.302801|4.029382|2.715706|0.081741|2.977241|0.080078|3.556278|2.403103|3.253325|2.537296|4.370933|2.888744|1.959418|1.705443|2.278135|1.780142|2.073022|1.521451|2.548022|2.634829|1.352276|1.320099|3.886152|4.678695|7.066324|8.372761|5.415976|4.089072|21.647421|73.516695| |1.623586|1.760930|3.567254|2.221986|3.778730|2.659017|0.077039|2.969952|0.077068|3.734285|2.581926|3.479623|2.605642|4.444323|3.163127|2.179474|1.874567|2.512551|1.942553|2.286314|1.679261|2.813573|2.898480|1.485269|1.441719|3.886519|4.096028|5.414216|8.371021|7.055994|4.668159|21.663958|16.044522|73.516695| |17.531785|8.874738|10.237466|4.277468|7.118894|3.345876|0.082971|2.942237|0.081686|4.156840|3.223494|4.435079|3.305796|5.523828|4.250354|2.902573|2.925723|3.598627|2.776365|2.761080|2.336458|3.936015|3.840656|1.910764|1.776790|2.394420|2.194780|1.899418|1.784803|1.881014|2.167334|2.141672|2.672074|2.656726|0.500000| |17.577123|8.864462|12.972006|4.930778|7.501338|3.976918|0.093332|3.546223|0.095292|5.339363|4.359415|5.869223|4.099540|6.491966|5.907209|3.948435|3.980807|4.719548|3.668537|3.651844|2.926491|4.835556|4.685722|2.257539|2.059380|2.785354|2.451470|2.095218|1.993099|2.152457|2.544442|2.358823|2.899523|2.939425|0.299979|0.500000| |17.577484|8.860023|12.954512|4.913578|7.479410|3.957038|0.096916|3.263572|0.086616|4.582482|3.755547|5.565944|4.218978|7.240566|4.813552|3.381635|3.275641|3.816385|2.861938|2.941116|2.433431|4.142898|3.894184|1.924703|1.760435|2.647973|2.388638|2.058502|1.945453|2.070874|2.408188|2.317690|2.870405|2.878047|0.300004|0.301419|0.500000| |8.811326|17.604096|16.559810|7.282078|13.002294|4.733955|0.112808|4.202580|0.124243|5.704703|4.049610|5.234640|4.061401|6.326899|4.940779|3.073827|2.913503|3.709646|3.063409|3.250484|2.339905|3.816209|3.929378|1.919897|1.820178|3.161239|2.885469|2.387789|2.177346|2.279700|2.702866|2.545722|3.173928|3.100158|0.211391|0.211258|0.173081|0.500000| |8.809695|17.599734|16.554006|7.238771|12.907306|4.705550|0.119402|3.757379|0.106757|4.812720|3.555635|5.020240|4.180683|7.016517|4.249889|2.784601|2.601811|3.222330|2.547359|2.721357|2.065030|3.448571|3.428537|1.703244|1.604679|2.966983|2.786450|2.335196|2.116815|2.184761|2.543042|2.495391|3.137152|3.029752|0.211221|0.173104|0.211232|0.302496|0.500000| |2.845966|2.763932|5.783320|3.053839|4.621181|3.473272|0.083406|3.697244|0.087775|6.454789|6.371445|8.114480|4.226162|6.491370|12.354405|17.425574|8.900395|9.402257|5.799505|7.062993|5.092989|8.192183|7.200494|3.242849|2.748298|3.418556|2.740386|2.480077|2.639912|3.219661|3.844512|3.117071|3.598197|4.116401|0.069249|0.089559|0.079461|0.073802|0.067880|0.500000| |3.640249|3.423047|7.398015|3.670542|5.332805|4.097408|0.095771|3.973835|0.093150|6.726078|7.397120|11.505705|5.475331|8.372132|12.568536|17.713390|8.882942|7.672737|4.965399|5.728993|4.249191|7.103474|6.058409|2.798686|2.400058|3.453227|2.789927|2.462127|2.530655|2.983613|3.619313|2.963710|3.477335|3.828130|0.085246|0.116188|0.104884|0.087739|0.082605|0.301449|0.500000| |2.948185|2.661083|5.207110|2.612665|4.044897|2.734601|0.066774|2.773380|0.069510|4.595503|4.180977|5.528211|3.199733|5.169330|7.701045|8.849082|17.671289|12.525161|5.667399|4.991649|7.631395|14.344252|8.878010|4.008775|3.122900|2.496715|2.115255|1.926414|1.994176|2.297985|2.634430|2.421353|2.875364|3.180080|0.073485|0.095622|0.082716|0.070952|0.065204|0.218251|0.209407|0.500000| |3.922805|3.402865|6.594761|3.150177|4.803628|3.157871|0.074966|3.163312|0.079996|5.378509|4.967608|6.313702|3.631194|5.683271|9.486409|8.891039|17.504903|12.416039|6.859878|5.751320|6.426979|10.329290|8.355075|3.661881|2.998384|2.693872|2.269060|2.014625|2.034826|2.316826|2.725544|2.434159|2.911708|3.140146|0.095426|0.136882|0.106910|0.090769|0.080242|0.174354|0.218028|0.301004|0.500000| |2.676138|2.618441|5.004415|2.667033|4.316610|2.731865|0.066176|3.123202|0.083075|5.529908|4.198254|4.588592|2.803058|4.295503|7.712700|4.987269|5.654797|12.458541|17.681158|8.880939|7.301426|8.888979|14.924364|5.294404|4.834018|2.770761|2.336296|2.103353|2.155835|2.475649|2.877463|2.589485|3.076983|3.366683|0.068504|0.086512|0.069191|0.075882|0.063426|0.131034|0.109435|0.127919|0.140893|0.500000| |3.515718|3.341862|6.321730|3.206548|5.086411|3.150410|0.074323|3.480443|0.092539|6.291532|4.976213|5.369870|3.242409|4.889403|9.481748|5.743610|6.859821|12.417131|17.501148|8.894882|6.315860|8.357310|10.541544|4.179439|3.712319|2.901878|2.434303|2.137151|2.138708|2.426677|2.887463|2.537850|3.039043|3.249397|0.088427|0.120338|0.088400|0.097321|0.078033|0.132600|0.128973|0.141147|0.199156|0.301136|0.500000| |3.165539|3.333682|6.844328|3.817548|5.992578|4.075083|0.093770|5.243523|0.136073|11.416431|7.451010|6.683837|3.979446|5.672310|12.579373|5.725800|4.972532|7.681734|8.898895|17.700838|4.201596|6.035371|7.259252|3.150005|2.966078|4.287116|3.350449|2.856034|2.876103|3.390510|4.314319|3.277820|3.840417|4.153788|0.077828|0.101026|0.080799|0.097563|0.079071|0.144087|0.128618|0.109532|0.129218|0.210872|0.218780|0.500000| |2.687197|2.734241|5.609460|3.105307|4.862243|3.467233|0.082636|4.208254|0.104262|8.139842|6.397948|6.418298|3.670800|5.420593|12.357235|7.050603|5.793860|9.388223|8.894004|17.419130|5.032771|7.133577|8.375213|3.563022|3.231475|3.854939|3.032773|2.709001|2.868367|3.520964|4.320043|3.333796|3.835869|4.360496|0.066586|0.084674|0.071295|0.077074|0.066630|0.209137|0.144046|0.130900|0.132537|0.219004|0.174374|0.301447|0.500000| |1.880763|1.778183|3.308198|1.757963|2.894502|1.806451|0.045797|1.932959|0.051237|3.075252|2.414921|3.008690|1.917742|3.137378|3.979336|3.170456|3.845002|6.733374|4.126304|3.318206|7.277872|13.068288|16.539376|17.615088|8.819503|1.824354|1.614961|1.521213|1.587917|1.782934|1.936078|1.999135|2.403126|2.666446|0.049705|0.058437|0.050783|0.049914|0.044908|0.091142|0.076723|0.111089|0.095212|0.126804|0.101094|0.081495|0.095883|0.500000| |2.023268|1.877827|3.423972|1.791757|2.960394|1.799866|0.045457|1.902186|0.050896|3.018980|2.369192|2.955803|1.898119|3.106327|3.895262|3.056624|3.872532|6.695507|4.169134|3.192633|7.275857|13.139890|16.539162|17.615716|8.818308|1.759085|1.564468|1.459171|1.500261|1.666202|1.826029|1.879692|2.276959|2.479789|0.054113|0.063486|0.054171|0.052968|0.047208|0.083559|0.075132|0.109726|0.102008|0.125248|0.109567|0.079762|0.087281|0.302890|0.500000| |1.925289|1.840895|3.336084|1.781969|2.996110|1.779238|0.045034|1.931522|0.052812|3.060754|2.296115|2.782581|1.814472|2.936124|3.685619|2.680215|3.137583|5.518464|4.123656|3.205454|4.895597|7.501123|12.924675|8.846376|17.567009|1.789643|1.603015|1.495073|1.529046|1.685342|1.842811|1.915885|2.329005|2.516125|0.051821|0.059888|0.050515|0.053213|0.046336|0.073217|0.065581|0.083162|0.083764|0.138853|0.110036|0.084648|0.087811|0.173038|0.211099|0.500000| |1.800474|1.746049|3.227814|1.748351|2.927176|1.785468|0.045363|1.963739|0.053189|3.119391|2.337658|2.826595|1.831547|2.962264|3.756559|2.756206|3.122556|5.539004|4.081059|3.332807|4.895795|7.487731|12.921862|8.846445|17.568336|1.858751|1.657650|1.562316|1.622642|1.807091|1.956662|2.043531|2.465264|2.712907|0.047887|0.055567|0.047717|0.050096|0.044139|0.078185|0.066634|0.083751|0.079848|0.140949|0.101395|0.086724|0.096630|0.211175|0.173030|0.301038|0.500000| |1.688478|1.613775|2.940782|1.578508|2.653302|1.593988|0.040761|1.714906|0.046543|2.675075|2.024826|2.507237|1.642988|2.693557|3.206512|2.405728|2.780340|4.679909|3.287622|2.704138|4.274753|7.161816|10.234857|8.879534|17.542415|1.619402|1.460875|1.380476|1.425046|1.568767|1.687889|1.807428|2.197889|2.395814|0.045446|0.051855|0.044984|0.046074|0.041070|0.067408|0.059639|0.076746|0.072956|0.105324|0.085665|0.070506|0.076421|0.211691|0.211710|0.300505|0.300515|0.500000| |2.549826|3.089120|6.570071|4.902484|9.029611|6.140606|0.204884|7.061415|0.214831|6.382862|3.848351|5.071452|4.392902|6.960482|4.148372|2.588995|2.204889|2.893844|2.364363|2.853947|1.854822|3.040222|3.177261|1.580854|1.530256|8.904921|17.706236|8.977341|5.683630|4.958604|5.656145|5.678613|7.163463|6.049135|0.063757|0.069757|0.068554|0.086401|0.084205|0.069700|0.072655|0.055760|0.060805|0.061758|0.065533|0.087308|0.076754|0.042786|0.041939|0.043128|0.044052|0.039127|0.500000| |1.944914|2.227044|4.549944|3.059279|5.478413|3.682837|0.116527|4.082829|0.113416|4.446886|2.877095|3.871514|3.164721|5.341468|3.307727|2.167825|1.869318|2.478451|1.975551|2.335586|1.626908|2.699370|2.806974|1.421961|1.385037|5.609491|8.901236|17.783658|8.921927|5.634173|4.948716|9.773115|14.116124|8.816515|0.049569|0.053659|0.053213|0.061780|0.061133|0.060525|0.060513|0.048401|0.050618|0.052675|0.053585|0.069305|0.065558|0.039002|0.037571|0.038603|0.040167|0.035769|0.215131|0.500000| |1.943019|2.103216|4.393360|2.726111|4.462054|3.428683|0.094930|4.051916|0.098684|5.296346|3.681406|4.853836|3.470882|5.649203|4.421935|2.992932|2.452277|3.269107|2.546202|3.165363|2.124209|3.507554|3.615499|1.807591|1.728570|5.625334|4.964626|5.635196|8.940937|17.781955|8.898620|9.780602|8.820093|14.100228|0.048825|0.055897|0.053705|0.057640|0.055276|0.090562|0.080888|0.064033|0.062862|0.067897|0.065072|0.088747|0.097250|0.050704|0.046702|0.046956|0.051054|0.044224|0.107707|0.124283|0.500000| 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