Version2.2 2021-02-12T09:23:13Z 10.1021/jm300687e Gaussian16 RevisionB.01 SBUNGAY 18-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE Cc1c2ccccc2oc1C(=O)NNC(=O)NCc3ccccc3n4cccn4 C63359361 RHF 6-31G(d) (6D,7F) Cc1c2ccccc2oc1C(=O)NNC(=O)NCc3ccccc3n4cccn4 C01[X(C21H19N5O3)] 138 C1 473 O=C(NCc1ccccc1n1cccn1)NNC(=O)c1oc2c(c1C)cccc2 O=C(NCc1ccccc1n1cccn1)NNC(=O)c1oc2c(c1C)cccc2 Cc1c(oc2ccccc12)C(=O)NNC(=O)NCc3ccccc3n4cccn4 InChIKey=FVSRMUQGOZHECR-UHFFFAOYSA-N InChI=1S/C21H19N5O3/c1-14-16-8-3-5-10-18(16)29-19(14)20(27)24-25-21(28)22-13-15-7-2-4-9-17(15)26-12-6-11-23-26/h2-12H,13H2,1H3,(H,24,27)(H2,22,25,28) InChI=1/C21H19N5O3/c1-14-16-8-3-5-10-18(16)29-19(14)20(27)24-25-21(28)22-13-15-7-2-4-9-17(15)26-12-6-11-23-26/h2-12H,13H2,1H3,(H,24,27)(H2,22,25,28)/f/h22,24-25H Cc1c2ccccc2oc1C(=O)NNC(=O)NCc3ccccc3n4cccn4 C01[X(C21H19N5O3)] 138 C01 473 O=C(NCc1ccccc1n1cccn1)NNC(=O)c1oc2c(c1C)cccc2 O=C(NC[C]1[CH][CH][CH][CH][C]1[N@]1[CH][CH][CH][N]1)NNC(=O)C1=[C]([C]2[C]([CH][CH][CH][CH]2)O1)C CC1=C(O[C]2[CH][CH][CH][CH][C]12)C(=O)NNC(=O)NC[C]3[CH][CH][CH][CH][C]3N4[CH][CH][CH][N]4 InChIKey=FVSRMUQGOZHECR-UHFFFAOYSA-N InChI=1S/C21H19N5O3/c1-14-16-8-3-5-10-18(16)29-19(14)20(27)24-25-21(28)22-13-15-7-2-4-9-17(15)26-12-6-11-23-26/h2-12H,13H2,1H3,(H,24,27)(H2,22,25,28) InChI=1/C21H19N5O3/c1-14-16-8-3-5-10-18(16)29-19(14)20(27)24-25-21(28)22-13-15-7-2-4-9-17(15)26-12-6-11-23-26/h2-12H,13H2,1H3,(H,24,27)(H2,22,25,28)/f/h22,24-25H 2681.5984224572 -1303.1138617 1-A 12074.0242 102 371 473 |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| -20.64463 -20.54056 -20.50847 -15.64897 -15.62944 -15.61140 -15.58519 -15.57687 -11.37179 -11.36757 -11.31130 -11.30732 -11.28994 -11.27664 -11.26833 -11.26314 -11.25664 -11.25577 -11.25548 -11.25275 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389.14879 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 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 |A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A| 13.1102 14.7445 18.1152 33.3327 43.5574 61.5306 71.5258 75.8005 104.6041 105.9204 121.4721 123.7899 154.5825 166.1373 197.4408 206.0502 243.4695 254.8062 274.9957 301.9646 308.5261 344.6321 361.2732 377.0678 383.3856 405.9206 418.7804 419.7121 480.5715 486.1257 500.4936 550.6054 573.6167 597.4396 616.6898 625.8205 638.8157 643.9501 652.6873 685.7023 691.4298 710.8329 738.1696 740.6802 761.2162 781.2010 832.6629 844.4974 849.2816 853.0321 854.9314 858.8724 864.8946 878.5728 901.1309 959.3881 972.5667 984.7168 994.1878 995.6456 1010.1065 1023.7165 1032.0708 1044.3979 1073.2833 1078.6386 1108.3788 1113.6400 1122.0522 1127.0062 1131.6819 1140.4305 1155.4389 1160.5937 1173.9212 1189.3306 1205.9278 1222.2825 1227.0160 1237.3692 1239.9955 1248.3040 1269.0486 1317.5146 1324.3005 1329.3134 1347.4234 1371.4611 1375.8258 1382.1656 1406.7080 1418.5033 1432.5813 1453.7008 1468.8230 1489.1826 1492.8050 1550.2644 1559.5834 1566.8386 1599.6469 1618.1090 1624.9789 1625.4932 1628.0306 1640.7913 1645.6757 1661.9500 1684.5788 1717.9785 1729.5401 1737.1969 1782.9194 1784.3229 1813.7052 1814.8649 1835.2311 1965.0796 1971.4606 3207.7073 3226.8349 3255.1085 3340.5910 3358.5056 3362.5652 3365.8138 3372.8960 3377.7777 3383.8006 3390.4437 3394.9507 3399.6200 3434.3111 3447.4429 3464.4800 3852.0676 3856.4501 3897.0669 4.7530 6.5157 5.5743 6.1241 7.3035 6.0167 7.2714 5.2933 6.5901 4.6940 2.5393 1.2569 5.9104 3.2510 5.8660 4.8243 6.5376 3.4327 4.1499 4.7325 5.6024 4.8777 4.0350 3.9807 4.7344 7.9828 1.5411 3.2244 3.0304 2.9119 1.6973 2.9336 4.8681 5.0123 3.5649 2.7773 1.8908 4.4031 7.3395 3.7124 2.9299 5.6126 5.9831 5.8985 3.6469 5.8592 3.2250 3.9787 1.7406 1.3994 2.5333 5.0123 1.3965 5.9079 4.1849 6.6331 1.4216 1.3017 2.4685 1.9232 5.8763 1.3909 3.2158 3.2283 1.3539 1.4084 2.1146 1.3100 1.3898 2.4761 1.9856 2.2474 2.2382 2.0096 1.4889 3.4807 2.1900 2.3613 1.8384 2.7906 1.7666 2.0989 3.8361 1.9857 1.6754 3.1184 1.5792 1.3759 2.7125 2.1366 2.3425 1.8681 2.2047 2.6588 1.9522 3.0679 2.9893 1.5170 3.9891 1.3171 3.0669 1.5058 2.4737 2.2997 1.0833 1.0447 2.6128 1.1350 2.6928 2.1188 2.1901 2.9641 6.0053 6.1138 5.8322 6.5294 8.1192 7.7860 10.5103 1.0425 1.0735 1.1018 1.0929 1.0974 1.0876 1.0877 1.0912 1.0915 1.0947 1.0961 1.0988 1.0975 1.0925 1.0974 1.1077 1.0785 1.0793 1.0781 0.0005 0.0008 0.0011 0.0040 0.0082 0.0134 0.0219 0.0179 0.0425 0.0310 0.0221 0.0113 0.0832 0.0529 0.1347 0.1207 0.2283 0.1313 0.1849 0.2542 0.3142 0.3413 0.3103 0.3335 0.4100 0.7750 0.1592 0.3347 0.4123 0.4054 0.2505 0.5240 0.9437 1.0541 0.7988 0.6409 0.4546 1.0757 1.8421 1.0284 0.8253 1.6709 1.9208 1.9066 1.2450 2.1067 1.3174 1.6718 0.7397 0.6000 1.0909 2.1784 0.6155 2.6868 2.0022 3.5971 0.7923 0.7437 1.4375 1.1233 3.5325 0.8588 2.0182 2.0747 0.9189 0.9655 1.5306 0.9572 1.0309 1.8530 1.4983 1.7221 1.7605 1.5949 1.2089 2.9008 1.8764 2.0785 1.6307 2.5173 1.6004 1.9270 3.6400 2.0308 1.7312 3.2467 1.6892 1.5247 3.0252 2.4048 2.7310 2.2147 2.6659 3.3105 2.4815 4.0085 3.9249 2.1481 5.7166 1.9050 4.6238 2.3229 3.8485 3.5801 1.6917 1.6570 4.1691 1.8470 4.5024 3.6845 3.8598 5.2704 11.2474 11.4686 11.3035 12.6710 16.1119 17.7144 24.0681 6.3198 6.5856 6.8785 7.1858 7.2930 7.2455 7.2598 7.3141 7.3373 7.3851 7.4238 7.4616 7.4736 7.5920 7.6842 7.8333 9.4292 9.4570 9.6469 0.1926 0.0271 0.3090 0.7859 1.4553 2.4886 1.7334 6.3213 1.7830 0.2311 0.9351 0.4499 12.6403 1.0703 7.3414 0.4960 2.7669 3.4383 3.0656 4.3384 5.8250 14.0719 1.3785 1.4742 7.0136 18.6067 92.4094 17.5068 27.8708 21.1877 131.4977 130.4510 3.5131 10.9412 3.2475 14.0815 33.6012 10.3054 1.2652 7.3309 7.3638 4.5284 12.2356 1.2034 30.6794 23.1135 2.6562 0.4359 83.8285 101.4630 28.0712 16.8332 48.1864 10.7474 1.7474 34.9941 0.9641 0.2685 30.9869 15.5718 5.0363 2.7199 18.7645 25.2865 2.0036 4.3039 5.0094 0.1673 0.0673 1.6203 4.2745 21.9971 58.4392 24.8773 0.0686 28.8019 14.1412 7.3790 32.2489 10.8745 17.3296 3.0393 46.3537 0.1267 10.7664 75.0634 4.7225 29.4879 45.4086 67.4703 130.4333 16.9728 149.7120 22.6992 42.4591 73.9658 15.0237 14.4421 51.8417 10.1961 4.4489 27.3325 33.1144 16.7948 15.1455 7.6485 2.3168 12.7955 71.6219 526.8337 112.3754 122.7024 5.6175 13.7584 14.7402 24.0086 151.3247 604.2474 316.8373 27.6246 52.1110 23.5858 2.1637 0.5846 1.5724 0.8477 8.9993 11.3896 27.6856 27.2759 19.3334 12.7488 5.8208 6.7953 1.2771 45.9433 59.9599 35.3085 6.7399 2.3696 5.9473 1.0989 3.4299 1.6759 1.2919 5.6414 3.7397 2.1658 3.5564 1.3158 0.4524 2.7217 2.6551 0.9124 2.2951 0.5661 1.7828 1.7620 1.3505 0.3245 1.5057 1.9984 1.0600 2.8328 1.4717 4.0647 0.8336 1.4760 2.3769 3.3981 3.7436 1.6437 0.9106 1.9618 1.9849 0.8474 5.7573 3.6592 0.7783 1.4658 4.5487 2.8242 1.3697 8.0124 2.3397 2.0394 2.7933 0.7809 1.0488 7.2030 0.5833 3.6584 4.6680 16.3583 1.4343 0.9025 4.1347 2.5837 4.5725 2.0042 15.7523 3.3923 0.0921 1.4964 22.9725 0.7880 1.0789 22.9099 1.5914 1.9960 1.6592 6.6944 2.6721 31.7336 6.0117 10.4509 16.7798 2.1763 3.0868 1.8115 5.7669 4.9735 1.9790 2.3686 1.5336 5.6209 33.8233 18.5467 38.8645 20.5658 5.3562 5.9210 28.5961 80.8985 61.6228 5.0991 34.4618 15.2657 5.0092 5.4589 22.1835 2.8079 41.9957 13.9252 18.9834 10.2566 13.5483 4.7366 4.6080 3.2076 22.8650 61.8059 37.4873 166.0909 282.9409 8.9853 46.3352 139.4137 84.3136 86.8685 38.9220 40.2600 38.4776 51.3175 97.7813 110.0056 60.6890 104.4034 237.3740 202.4201 93.8550 66.1164 106.1906 100.5088 32.1797 33.3917 0.7436 0.7428 0.7398 0.7479 0.7456 0.7193 0.7355 0.7449 0.7444 0.7333 0.7440 0.7365 0.6596 0.7500 0.7035 0.5440 0.6109 0.7061 0.7000 0.0915 0.7497 0.7417 0.6095 0.7490 0.6374 0.3773 0.4795 0.2346 0.5482 0.4390 0.6882 0.2776 0.5429 0.4461 0.6463 0.7200 0.7298 0.6770 0.7270 0.7476 0.7482 0.6407 0.3032 0.2136 0.3084 0.2414 0.3423 0.7433 0.7263 0.6994 0.6533 0.1069 0.6656 0.7049 0.3228 0.1599 0.7422 0.5036 0.2449 0.7143 0.7072 0.6080 0.0428 0.7467 0.7460 0.1494 0.1433 0.7495 0.1788 0.0608 0.1946 0.5691 0.2070 0.1770 0.7383 0.2721 0.3225 0.7450 0.7077 0.6669 0.7294 0.0573 0.1688 0.2138 0.0840 0.6906 0.3406 0.5333 0.2194 0.3072 0.4865 0.1706 0.2394 0.3207 0.2988 0.4196 0.0727 0.6886 0.6244 0.6455 0.4099 0.4381 0.2789 0.5453 0.5206 0.7491 0.4692 0.5844 0.3620 0.7359 0.7148 0.0657 0.3945 0.5511 0.6166 0.4158 0.2518 0.1412 0.1856 0.0820 0.1780 0.7425 0.2887 0.6172 0.6966 0.7482 0.6982 0.7391 0.5247 0.2396 0.1154 0.1179 0.6653 0.2658 0.1165 0.1932 0.1903 0.2044 0.8529 0.8524 0.8504 0.8558 0.8542 0.8367 0.8476 0.8538 0.8535 0.8461 0.8532 0.8483 0.7949 0.8571 0.8259 0.7046 0.7585 0.8277 0.8235 0.1676 0.8570 0.8517 0.7574 0.8565 0.7785 0.5479 0.6481 0.3800 0.7082 0.6102 0.8153 0.4346 0.7037 0.6170 0.7852 0.8372 0.8438 0.8074 0.8419 0.8556 0.8559 0.7810 0.4653 0.3521 0.4714 0.3890 0.5100 0.8527 0.8414 0.8231 0.7903 0.1932 0.7992 0.8269 0.4881 0.2757 0.8520 0.6698 0.3934 0.8333 0.8285 0.7562 0.0822 0.8550 0.8545 0.2600 0.2506 0.8568 0.3033 0.1146 0.3258 0.7254 0.3430 0.3008 0.8494 0.4278 0.4877 0.8539 0.8289 0.8002 0.8436 0.1084 0.2889 0.3523 0.1550 0.8170 0.5081 0.6957 0.3598 0.4700 0.6545 0.2914 0.3863 0.4856 0.4601 0.5912 0.1355 0.8156 0.7687 0.7846 0.5815 0.6093 0.4362 0.7057 0.6847 0.8566 0.6387 0.7377 0.5316 0.8478 0.8337 0.1234 0.5658 0.7106 0.7628 0.5874 0.4023 0.2474 0.3132 0.1515 0.3022 0.8522 0.4480 0.7633 0.8212 0.8559 0.8223 0.8500 0.6882 0.3865 0.2070 0.2110 0.7990 0.4200 0.2087 0.3238 0.3197 0.3395 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 6 6 6 6 6 6 6 6 8 6 6 8 7 7 6 8 7 6 6 6 6 6 6 6 7 6 6 6 7 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 15.99491 12.00000 12.00000 15.99491 14.00307 14.00307 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 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 7703.5253 16950.2962 18954.9876 1.00000 -0.00098 -0.00069 0.00098 0.99995 0.00988 0.00068 -0.00988 0.99995 1 0.01124 0.00511 0.00457 0.23427 0.10647 0.09521 18.86 21.21 26.06 47.96 62.67 88.53 102.91 109.06 150.50 152.40 174.77 178.11 222.41 239.03 284.07 296.46 350.30 366.61 395.66 434.46 443.90 495.85 519.79 542.52 551.61 584.03 602.53 603.87 691.44 699.43 720.10 792.20 825.31 859.58 887.28 900.42 919.11 926.50 939.07 986.57 994.81 1022.73 1062.06 1065.67 1095.22 1123.97 1198.02 1215.04 1221.93 1227.32 1230.06 1235.73 1244.39 1264.07 1296.53 1380.35 1399.31 1416.79 1430.41 1432.51 1453.32 1472.90 1484.92 1502.66 1544.22 1551.92 1594.71 1602.28 1614.38 1621.51 1628.24 1640.83 1662.42 1669.84 1689.01 1711.18 1735.06 1758.59 1765.40 1780.30 1784.08 1796.03 1825.88 1895.61 1905.37 1912.59 1938.64 1973.23 1979.51 1988.63 2023.94 2040.91 2061.16 2091.55 2113.31 2142.60 2147.81 2230.48 2243.89 2254.33 2301.54 2328.10 2337.98 2338.72 2342.37 2360.73 2367.76 2391.18 2423.73 2471.79 2488.42 2499.44 2565.22 2567.24 2609.52 2611.19 2640.49 2827.31 2836.49 4615.18 4642.70 4683.38 4806.37 4832.14 4837.98 4842.66 4852.85 4859.87 4868.53 4878.09 4884.58 4891.29 4941.21 4960.10 4984.61 5542.27 5548.57 5607.01 0.406922 0.430369 0.431314 0.349196 -1302.706939 -1302.683492 -1302.682548 -1302.764666 2.754251D-04 MUNgauss RevisionA2.1 retrievium 12-Feb-2021 DUDE Cc1c2ccccc2oc1C(=O)NNC(=O)NCc3ccccc3n4cccn4 C63359361 RHF 6-31G(d) (6D,10F) C1 389.148790 |X|Y|Z| 52.227796 41.240201 87.438217 57.320229 26 6 7 8 20 5 1 |36.858105| |12.715346|36.858105| |7.262265|13.109647|36.858105| |5.754585|7.247830|13.653636|36.858105| |4.083359|5.007811|8.002083|13.828201|36.858105| |3.557732|4.560102|6.900851|7.876739|13.591997|36.858105| |3.810959|5.283753|7.813699|6.726155|7.849073|13.810042|36.858105| |5.125820|8.408444|13.761220|7.937883|6.982873|8.110955|13.758773|36.858105| |5.125558|8.452677|8.505576|5.374160|4.689713|5.246130|7.821744|14.163283|73.516695| |7.408390|14.193800|8.591563|5.290709|4.214227|4.244735|5.399500|8.743102|24.680765|36.858105| |5.821550|7.405811|5.165102|3.767998|3.173036|3.223628|3.939526|5.343964|13.926238|12.840581|36.858105| |6.088657|6.350008|4.377321|3.386631|2.830374|2.790513|3.249147|4.208201|9.581275|8.111932|15.936437|73.516695| |4.147236|5.168660|4.217712|3.222605|2.864805|3.036346|3.792790|4.786870|12.793483|7.994033|13.984623|14.972306|53.358707| |3.394828|3.879891|3.256433|2.629483|2.377967|2.499629|3.001621|3.567304|8.459324|5.191480|8.025551|12.336418|18.989373|53.358707| |2.876391|3.219672|2.802075|2.328127|2.143707|2.264275|2.680007|3.070726|6.943550|4.075763|5.528657|9.019287|10.811899|18.750745|36.858105| |2.470348|2.703708|2.400351|2.042626|1.902927|2.007390|2.334747|2.607775|5.674572|3.286679|4.210488|7.161284|7.503234|11.584367|15.874689|73.516695| |2.928767|3.304455|2.905866|2.415857|2.228533|2.357940|2.792953|3.193399|7.153329|4.144458|5.312485|8.529398|9.539634|11.218437|14.098662|14.984812|53.358707| |2.455690|2.702812|2.451234|2.105093|1.974973|2.087867|2.415054|2.665581|5.655401|3.210688|3.812657|6.375280|6.240245|7.073419|7.820431|12.145830|17.900409|36.858105| |2.396026|2.658673|2.478276|2.153661|2.044546|2.174300|2.500867|2.709396|5.589881|3.089887|3.437089|5.657271|5.368298|5.491874|5.160143|8.022098|10.619625|12.564407|36.858105| |2.261051|2.440401|2.278986|2.020151|1.915183|2.003373|2.248070|2.424210|4.845344|2.735235|2.985271|5.081028|4.408675|4.476536|3.983419|6.410043|7.385771|7.594949|13.730376|36.858105| |2.134478|2.301515|2.202012|1.988753|1.909297|1.997826|2.208459|2.335102|4.529502|2.518795|2.640307|4.472489|3.809866|3.750223|3.173069|5.148717|5.535512|5.011909|7.856645|13.734604|36.858105| |2.122235|2.336922|2.295251|2.082262|2.033723|2.164778|2.400982|2.482933|4.756287|2.560043|2.605658|4.308200|3.788924|3.633632|3.008514|4.853209|5.159833|4.409926|6.793084|7.957394|13.797140|36.858105| |2.229786|2.523889|2.498151|2.228856|2.191186|2.386952|2.718794|2.792261|5.452913|2.840791|2.885684|4.634497|4.342018|4.110909|3.424995|5.443967|5.960781|4.975600|7.871304|6.924469|7.972345|13.747245|36.858105| |2.374432|2.708799|2.610506|2.272218|2.198920|2.394609|2.790740|2.945418|6.023433|3.159718|3.350987|5.318440|5.290547|5.122838|4.509397|6.995184|8.468657|7.435607|13.624772|7.997122|6.885796|7.924786|13.767550|36.858105| |2.410234|2.822277|2.752589|2.365236|2.311096|2.579010|3.094170|3.226656|6.774034|3.389076|3.581355|5.484289|5.994931|5.725932|4.949854|7.634991|8.580024|6.441163|7.761978|5.150749|4.549935|5.169247|7.921862|13.405455|53.358707| |2.628340|3.199220|3.215945|2.719769|2.690498|3.102710|3.888649|3.979268|8.461043|3.915368|3.919441|5.756645|6.573058|5.766801|4.514368|6.808261|7.261797|4.803515|5.365700|4.025143|3.739119|4.310247|6.149805|7.691472|19.268019|36.858105| |2.455151|2.974794|3.003995|2.558957|2.556900|2.979247|3.740143|3.743885|7.960912|3.643467|3.688384|5.427918|6.375759|5.775278|4.396831|6.917828|6.341664|4.148131|4.217937|3.276997|3.023041|3.364748|4.426776|5.341028|11.890834|13.975503|36.858105| |2.199323|2.572768|2.530204|2.188259|2.164388|2.446838|2.945930|3.003327|6.313749|3.099559|3.301492|5.047074|5.744622|5.746530|4.756445|7.971982|6.693953|4.680379|4.532718|3.433235|3.076616|3.334411|4.327338|5.510665|12.349369|8.720347|13.479651|36.858105| |2.179446|2.510337|2.433318|2.111459|2.068065|2.297134|2.721487|2.819937|5.896996|2.997000|3.248464|5.066599|5.548841|5.688270|5.106687|8.529371|7.928872|6.199715|6.247010|4.371953|3.788882|4.082047|5.509806|7.934842|19.425397|8.583803|8.484614|14.649877|53.358707| |17.541614|8.943224|6.509983|5.737453|4.084965|3.469083|3.594919|4.626803|7.901414|5.844447|4.751503|8.798820|4.893981|4.098754|2.645630|4.068084|3.757921|2.369872|2.361427|2.272210|2.177669|2.163298|2.237247|2.339595|3.169279|2.518016|2.314657|2.079988|2.839225|0.500000| |17.675547|8.900592|5.441743|4.381404|3.353472|3.042528|3.316201|4.338325|8.312949|6.935190|6.528943|14.061562|6.059239|5.091726|3.129098|4.758489|4.279272|2.605563|2.485969|2.346982|2.177591|2.128336|2.226910|2.408249|3.307038|2.597418|2.431898|2.218752|3.017595|0.300409|0.500000| |17.542871|8.945148|6.514598|5.742024|4.087928|3.471582|3.597404|4.629650|7.903142|5.844958|4.750894|8.793085|4.889990|4.113441|2.566701|3.999981|3.492276|2.183165|2.123622|2.007568|1.905793|1.902595|1.998070|2.115630|2.948258|2.363868|2.252477|2.026496|2.705541|0.302195|0.300453|0.500000| |6.061567|6.410108|8.838303|17.722181|8.914778|5.610023|4.875694|5.633863|7.705846|4.566214|3.440922|5.734468|3.958772|3.308924|2.164166|3.403223|3.047101|1.968449|2.005820|1.907743|1.880529|1.945941|2.049446|2.084113|2.910546|2.403562|2.263175|1.976026|2.619664|0.178486|0.125383|0.178611|0.500000| |3.526775|4.029443|5.668628|8.954167|17.725996|8.893177|5.623137|5.009772|6.593391|3.433708|2.709611|4.397000|3.360464|2.856865|1.914110|3.056127|2.703816|1.786709|1.853638|1.755926|1.763925|1.875737|1.996799|1.984383|2.813068|2.366089|2.259061|1.943639|2.539430|0.100126|0.081951|0.100193|0.214971|0.500000| |2.966045|3.628406|4.966997|5.633923|8.893674|17.721374|8.970940|5.718975|7.462722|3.462321|2.764850|4.314680|3.628763|3.061502|2.069256|3.304148|2.929451|1.938391|2.029993|1.878620|1.890179|2.064380|2.272844|2.251178|3.304180|2.901829|2.822248|2.333973|2.971023|0.081046|0.072133|0.081104|0.123929|0.216036|0.500000| |3.247123|4.321264|5.587872|4.877097|5.586234|8.851744|17.739965|8.858972|12.326944|4.709732|3.691638|5.391162|5.123975|4.116250|2.740510|4.272406|3.881190|2.484249|2.581998|2.286802|2.246017|2.475344|2.866973|2.949313|4.598816|4.414001|4.383571|3.314806|4.059524|0.085089|0.081239|0.085155|0.106239|0.123491|0.213664|0.500000| |3.811589|4.951247|4.362984|3.326000|3.035123|3.333483|4.338668|5.367329|15.241146|7.589099|9.280803|10.793229|26.020339|12.742030|6.726877|8.859427|8.555256|4.365091|3.919969|3.166579|2.788749|2.854298|3.367077|4.095433|6.730447|5.877288|5.917555|4.944325|6.165619|0.093162|0.108502|0.093450|0.081461|0.071984|0.081389|0.123927|0.500000| |3.137406|3.527573|3.011915|2.472208|2.253150|2.368027|2.814394|3.283608|7.547540|4.548613|6.482655|10.488692|12.852804|26.022107|9.513467|14.160201|8.160871|4.303218|3.416688|2.849402|2.430768|2.368555|2.661600|3.238226|4.973307|3.713195|3.903553|3.949832|5.134888|0.076795|0.095626|0.079775|0.063791|0.055615|0.059644|0.079157|0.209621|0.500000| |3.366176|3.849973|3.310887|2.700496|2.452503|2.575562|3.070634|3.611655|8.233673|4.921807|6.379527|9.998758|10.720408|10.525971|9.421799|10.890996|26.098128|9.021734|7.266717|5.425775|4.200334|3.938849|4.493448|6.088043|8.040159|5.392638|4.480612|4.380133|6.805289|0.088454|0.100518|0.079892|0.069291|0.060191|0.064425|0.085531|0.189126|0.153591|0.500000| |2.229011|2.457088|2.261677|1.959118|1.859017|1.981064|2.287958|2.481635|5.225713|2.906658|3.406629|5.665387|5.685691|6.634744|7.399503|13.422035|12.641550|17.676923|8.858066|5.921079|4.295586|3.945618|4.546321|6.605739|8.761681|4.688034|4.306185|5.296934|9.976266|0.059415|0.065287|0.055880|0.050819|0.046913|0.051560|0.066254|0.113721|0.117839|0.180954|0.500000| |2.370988|2.536985|2.277692|1.976903|1.843393|1.920429|2.185025|2.418168|5.041370|2.942908|3.513951|6.149796|5.466825|6.306057|6.599832|11.045618|12.364287|17.559436|8.943966|7.457552|4.833707|4.001857|4.186944|5.559326|6.459267|3.794046|3.361192|3.721578|6.307749|0.063977|0.070764|0.058687|0.051999|0.046668|0.049580|0.061663|0.103201|0.109284|0.201095|0.303143|0.500000| |2.210171|2.334533|2.149423|1.912603|1.798893|1.859440|2.068732|2.248068|4.485750|2.592106|2.880388|5.045624|4.188227|4.365033|3.897315|6.412640|6.954665|7.112230|8.958826|17.715871|8.940978|5.662966|4.978581|5.672762|5.669426|3.391436|2.873997|3.033563|5.093863|0.061726|0.064586|0.054638|0.050690|0.046024|0.048376|0.057948|0.081667|0.077740|0.140139|0.154663|0.233534|0.500000| |2.011564|2.129485|2.037901|1.865568|1.789864|1.851360|2.014726|2.125612|4.063180|2.286635|2.385080|4.109819|3.374242|3.334666|2.774327|4.567314|4.665822|4.101778|5.617605|8.917679|17.722040|8.917410|5.655605|4.959084|4.927810|3.098209|2.584317|2.623900|4.264236|0.057530|0.057055|0.050152|0.049518|0.046344|0.048825|0.056449|0.068046|0.060756|0.098555|0.099768|0.115356|0.216147|0.500000| |1.992452|2.179402|2.173978|2.008792|1.983733|2.106243|2.294229|2.334213|4.365103|2.341713|2.339143|3.886715|3.347795|3.190555|2.582958|4.210969|4.273702|3.531335|4.910974|5.647241|8.907881|17.724690|8.921158|5.644050|5.712275|3.714346|2.989102|2.922910|4.681411|0.056890|0.055018|0.049998|0.052356|0.051320|0.056368|0.065557|0.070277|0.058540|0.090896|0.089923|0.091028|0.124292|0.214058|0.500000| |2.154580|2.464197|2.502763|2.256223|2.262445|2.509701|2.855385|2.843058|5.438014|2.754039|2.724285|4.331690|4.089597|3.811707|3.086191|4.947436|5.128923|4.066048|5.627195|4.979906|5.657161|8.897350|17.727544|8.965272|9.996924|6.473316|4.681748|4.387281|7.149447|0.059984|0.059016|0.054103|0.057162|0.057367|0.067266|0.085261|0.090116|0.069605|0.107347|0.107283|0.096183|0.107978|0.124116|0.214587|0.500000| |2.858961|3.553557|3.665604|3.080347|3.058694|3.568297|4.551578|4.632028|9.584588|4.297751|4.057688|5.910711|6.402162|5.342408|4.017078|5.992679|6.538407|4.277059|4.954320|3.939537|3.800517|4.484009|6.245480|6.888188|12.293083|17.808984|8.575034|5.871983|8.048165|0.076964|0.077090|0.070695|0.074574|0.073814|0.091534|0.142411|0.156640|0.095024|0.144821|0.110990|0.097368|0.092094|0.088098|0.109342|0.187831|0.500000| |2.466789|3.024009|3.133318|2.679404|2.721213|3.250446|4.157948|4.010655|8.346203|3.673802|3.587226|5.250539|6.037367|5.331636|3.832779|6.106379|5.303079|3.428412|3.444120|2.795518|2.621244|2.899987|3.654781|4.164996|8.046701|8.701939|17.807815|8.503978|7.917274|0.064106|0.067063|0.063686|0.065135|0.066489|0.086154|0.141858|0.158538|0.103308|0.106407|0.097950|0.079991|0.069397|0.063538|0.073349|0.108805|0.193888|0.500000| |2.027150|2.337249|2.295347|2.007715|1.990458|2.235361|2.647266|2.684376|5.557090|2.776367|2.976091|4.636880|5.102340|5.295593|4.331342|7.727113|5.721817|4.055932|3.789485|2.990137|2.689798|2.861850|3.546048|4.322098|8.318743|5.891963|8.497192|17.789818|12.610399|0.053079|0.057015|0.052492|0.050729|0.050058|0.059688|0.082283|0.118946|0.105656|0.103162|0.131158|0.093215|0.075303|0.065034|0.070908|0.099743|0.123690|0.192908|0.500000| 1301.350796 -8410.337226 3298.221045 -173.947127 -3984.712511 2681.598615 -1303.113896 2.001355 40B968000000000A 445837CBF6315A1F 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