Version2.1
2021-01-13T19:56:46Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
23-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCn1c(=O)c2c(c(sc2nc1SCC(=O)c3c(n(c(=O)n(c3=O)C)CC(C)C)N)C)C C09357784
RHF
6-31G(d)
(6D,7F)
CCn1c(=O)c2c(c(sc2nc1SCC(=O)c3c(n(c(=O)n(c3=O)C)CC(C)C)N)C)C
C01[X(C21H27N5O4S2)]
171
C1
542
CCn1c(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(c2=O)C)nc2c(c1=O)c(C)c(s2)C
CCn1c(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(c2=O)C)nc2c(c1=O)c(C)c(s2)C
CCN1C(=O)c2c(C)c(C)sc2N=C1SCC(=O)C3=C(N)N(CC(C)C)C(=O)N(C)C3=O
InChIKey=ZTDRULMQDIYGHA-UHFFFAOYSA-N
InChI=1S/C21H27N5O4S2/c1-7-25-19(29)14-11(4)12(5)32-17(14)23-20(25)31-9-13(27)15-16(22)26(8-10(2)3)21(30)24(6)18(15)28/h10H,7-9,22H2,1-6H3
InChI=1/C21H27N5O4S2/c1-7-25-19(29)14-11(4)12(5)32-17(14)23-20(25)31-9-13(27)15-16(22)26(8-10(2)3)21(30)24(6)18(15)28/h10H,7-9,22H2,1-6H3
CCn1c(=O)c2c(c(sc2nc1SCC(=O)c3c(n(c(=O)n(c3=O)C)CC(C)C)N)C)C
C01[X(C21H27N5O4S2)]
171
C01
542
CCn1c(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(c2=O)C)nc2c(c1=O)c(C)c(s2)C
CCN1[C]([N][C]2[C]([C](=C(S2)C)C)C1=O)SC[C]([C]1[C]([NH2])N(C(=O)N(C1=O)C)CC(C)C)=O
CCN1[C]([N][C]2SC(=C(C)[C]2C1=O)C)SCC(=O)[C]3[C](N)N(CC(C)C)C(=O)N(C)C3=O
InChIKey=ZTDRULMQDIYGHA-UHFFFAOYSA-N
InChI=1S/C21H27N5O4S2/c1-7-25-19(29)14-11(4)12(5)32-17(14)23-20(25)31-9-13(27)15-16(22)26(8-10(2)3)21(30)24(6)18(15)28/h10H,7-9,22H2,1-6H3
InChI=1/C21H27N5O4S2/c1-7-25-19(29)14-11(4)12(5)32-17(14)23-20(25)31-9-13(27)15-16(22)26(8-10(2)3)21(30)24(6)18(15)28/h10H,7-9,22H2,1-6H3
3578.5520897133
-2177.7663505
1-A
24679.5970
126
416
542
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10.66596
-7.4814 -1.3597 0.2756
7.6089
|XX|YY|ZZ|XY|XZ|YZ|
-180.4748 -202.4973 -203.0229 27.4723 0.7665 0.8733
|XX|YY|ZZ|XY|XZ|YZ|
14.8569 -7.1656 -7.6913 27.4723 0.7665 0.8733
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-296.9035 3.5141 -1.6560 13.2757 -15.5615 8.1731 -26.2788 0.9069 0.8042 2.7807
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
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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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171
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9.5042 14.7230 29.6987 37.0124 46.5819 55.2772 60.1645 68.3686 71.1413 79.0992 83.8443 95.5051 104.9574 121.0699 123.9929 135.8779 150.7766 152.7036 160.3840 187.0430 191.6497 215.8170 219.3965 230.7798 243.4977 245.3881 261.8086 281.9548 291.2066 302.0716 316.0358 323.7632 330.3594 363.2815 374.6384 380.5928 388.4424 402.9337 406.7959 426.8962 429.1496 447.4682 453.0306 454.1254 474.1204 494.8151 504.5241 517.4209 554.6926 556.4669 562.7683 619.0818 630.2487 633.0439 671.3113 698.9423 711.3379 712.7176 749.4113 758.1267 765.2775 776.7871 810.4880 818.9164 835.2213 842.9118 860.1326 876.5978 881.5964 884.7454 889.3934 946.6734 957.7748 972.3442 1006.8837 1014.9385 1020.7179 1028.5300 1045.8874 1062.4077 1092.1145 1101.0025 1122.9357 1152.2419 1177.6637 1183.4968 1200.0453 1207.4397 1213.2520 1217.9228 1238.0249 1243.5093 1270.2110 1280.9340 1283.2414 1302.0964 1305.1582 1319.5662 1352.6513 1356.8231 1372.9921 1399.4270 1439.6705 1449.5518 1454.1757 1473.8775 1497.8955 1504.6677 1521.1110 1528.4426 1534.1562 1551.0421 1554.9546 1561.8056 1564.8174 1568.0668 1571.7708 1578.3292 1581.7659 1598.2850 1626.2777 1628.7342 1631.2727 1633.3146 1635.6754 1638.6814 1639.6831 1644.7152 1645.5095 1650.0785 1653.1515 1655.7208 1658.7787 1659.6003 1670.8557 1686.0546 1697.6786 1739.2839 1795.7056 1832.0507 1884.7308 1913.0433 1927.9581 1967.9124 3186.7000 3197.6113 3206.2594 3216.5664 3231.6744 3243.9639 3253.2874 3254.3835 3263.2026 3270.1306 3276.0104 3277.8851 3280.0016 3290.0927 3291.1013 3298.4874 3301.5421 3308.9849 3320.1822 3324.5133 3331.0408 3350.8325 3359.2386 3379.1570 3408.2117 3748.6692 3983.5697
5.2084 5.5919 6.0417 5.4048 5.6597 2.8628 3.7697 2.5205 1.2085 2.8187 2.1732 3.7635 4.9675 3.0591 4.4155 4.1050 1.1283 3.5374 3.0272 5.0992 5.7421 4.3423 1.7050 5.9472 1.1047 1.6301 4.6484 3.5127 3.5781 1.2567 3.9705 3.0371 3.1504 2.0755 4.7163 5.4515 4.5849 5.3703 3.2987 3.2343 4.7392 4.4496 2.8676 2.7953 3.4638 5.4179 4.9255 8.8237 6.0552 3.8584 3.1639 2.4999 5.8351 5.6274 7.0141 6.2168 7.9410 6.8472 5.4407 11.7491 1.7370 4.0707 2.6964 3.0882 1.8875 9.1633 4.6353 7.4772 3.4316 4.0129 2.9099 4.6798 3.5509 1.5100 1.8687 2.0916 1.4991 2.4708 1.6681 2.3292 2.4179 4.6363 2.2991 1.3748 1.5025 2.3417 2.4778 1.9314 2.1715 1.8717 2.3570 2.0814 1.2885 3.3695 3.1432 1.1154 1.7033 2.5666 6.4280 3.6163 2.7979 3.2870 3.5604 1.8097 2.6130 1.2721 2.0930 1.9272 1.4442 1.6530 2.2484 2.1418 1.6496 1.3593 1.1349 1.4080 1.3713 1.2433 1.3107 1.3747 1.0431 1.0742 1.0428 1.0616 1.0492 1.3269 1.1025 1.1593 1.0539 1.0728 1.0603 1.1961 1.1941 1.1819 1.5110 2.9599 8.0761 8.8527 7.3863 1.4979 7.0689 11.6178 11.7258 10.9620 1.0466 1.0417 1.0403 1.0377 1.0369 1.0866 1.1029 1.0948 1.0366 1.0922 1.1031 1.0997 1.1023 1.1022 1.0687 1.0916 1.1026 1.0775 1.0974 1.0608 1.1073 1.1009 1.1054 1.1056 1.1023 1.0612 1.0917
0.0003 0.0007 0.0031 0.0044 0.0072 0.0052 0.0080 0.0069 0.0036 0.0104 0.0090 0.0202 0.0322 0.0264 0.0400 0.0447 0.0151 0.0486 0.0459 0.1051 0.1243 0.1192 0.0484 0.1866 0.0386 0.0578 0.1877 0.1645 0.1788 0.0676 0.2337 0.1876 0.2026 0.1614 0.3900 0.4653 0.4076 0.5137 0.3216 0.3473 0.5142 0.5249 0.3468 0.3397 0.4587 0.7816 0.7387 1.3918 1.0977 0.7039 0.5904 0.5645 1.3656 1.3287 1.8624 1.7894 2.3674 2.0493 1.8003 3.9787 0.5994 1.4472 1.0436 1.2202 0.7758 3.8359 2.0205 3.3852 1.5714 1.8507 1.3562 2.4710 1.9192 0.8411 1.1162 1.2694 0.9202 1.5400 1.0751 1.5490 1.6991 3.3113 1.7081 1.0754 1.2277 1.9325 2.1024 1.6590 1.8832 1.6358 2.1285 1.8963 1.2249 3.2574 3.0496 1.1142 1.7095 2.6331 6.9294 3.9224 3.1076 3.7928 4.3479 2.2404 3.2555 1.6281 2.7668 2.5708 1.9687 2.2752 3.1180 3.0359 2.3500 1.9536 1.6373 2.0398 1.9960 1.8248 1.9321 2.0690 1.6254 1.6789 1.6350 1.6687 1.6539 2.0994 1.7463 1.8476 1.6814 1.7209 1.7073 1.9320 1.9359 1.9179 2.4854 4.9575 13.7139 15.7786 14.0329 2.9622 14.7944 25.0510 25.6795 25.0121 6.2620 6.2754 6.3011 6.3257 6.3804 6.7373 6.8774 6.8315 6.5036 6.8815 6.9752 6.9615 6.9870 7.0297 6.8202 6.9976 7.0811 6.9512 7.1278 6.9077 7.2392 7.2832 7.3495 7.4380 7.5437 8.7865 10.2068
0.4749 0.0176 0.2429 0.1092 0.5751 0.4623 2.3354 0.1208 0.1289 2.9304 0.3417 0.3588 2.7505 1.6709 0.5803 1.3862 0.0720 0.3847 6.5865 0.7471 4.7047 1.3711 4.1906 0.7871 0.8263 5.0799 0.1286 20.2698 4.8746 0.4806 10.8295 14.3633 0.8156 40.8582 19.7610 12.0355 3.8467 16.4142 24.1907 16.4681 6.4311 1.5814 19.1595 31.9002 4.6629 44.3321 2.3288 0.7977 4.9788 15.6031 34.0443 2.6548 63.1737 1.1406 1.8159 13.3306 33.8204 14.8868 1.1441 2.6267 35.4913 9.3210 30.5656 53.4821 4.4333 8.9483 53.5214 34.2918 8.4363 53.6728 34.5745 0.6897 9.4631 3.0086 1.6940 14.7984 2.2610 9.1455 2.0302 8.6514 2.4353 23.4374 79.0871 0.0191 0.2341 18.2285 12.7774 1.9288 32.8893 34.1705 109.6284 1.1693 4.1010 143.8973 80.3339 0.5832 2.1442 3.0273 41.0509 31.9236 93.4210 18.5572 68.8211 25.4533 10.1280 0.7310 22.4152 30.4141 1.6288 11.1878 135.4600 137.4715 123.3423 20.8621 43.1352 24.0814 19.8151 13.5647 11.1419 51.6819 0.6138 19.5196 9.5242 17.7060 19.5352 202.5277 16.1289 54.1292 3.5592 25.0835 8.4532 33.6601 117.9875 71.1805 269.5243 950.8055 178.2940 745.0518 23.2813 656.8022 283.4194 1219.2973 524.0789 197.2319 27.3541 34.5092 50.8684 27.7865 27.4799 9.3679 24.9205 14.0318 33.2202 35.9892 16.9135 28.7911 66.5556 16.7074 45.4913 5.2744 17.4381 38.8768 43.6695 12.1548 20.6552 6.2959 12.5553 0.9557 0.4575 242.5238 171.6148
0.0690 0.4896 0.3580 1.6779 1.8824 0.2347 0.6891 0.3746 0.0953 0.1966 0.5642 0.3618 0.2634 0.5077 0.1010 0.2900 0.5351 1.4437 0.4667 0.2248 0.0891 0.4163 0.1407 0.1585 0.0767 0.4758 0.6755 1.3747 0.9349 0.3900 0.4433 0.6863 1.3384 1.3647 0.4806 3.1101 2.4637 1.2795 3.7455 0.4578 1.8451 1.1457 4.8003 1.1897 1.3270 6.2140 1.4639 2.0745 7.9826 0.4604 1.0927 0.6001 3.3831 3.1302 20.4152 1.0337 6.1910 5.7441 8.7766 0.6545 1.1236 1.1788 0.6812 1.0927 0.3785 2.1954 7.9697 2.5199 16.6605 5.3196 20.6837 8.6486 2.9395 1.5798 4.5331 0.2168 3.0130 18.9937 8.4381 4.2460 24.2466 1.9654 2.7995 2.4977 0.2445 4.8861 5.4743 3.6161 8.7496 4.0571 14.1817 4.8129 3.0921 11.2306 6.9687 10.0002 4.4338 4.3794 9.8539 19.7536 19.6127 15.5678 6.1028 6.1220 1.5848 6.5195 4.5433 28.9116 5.7342 9.5217 4.4963 1.0600 15.6450 3.7914 4.9880 20.5884 8.5281 1.0738 12.3707 7.0963 2.5582 5.7858 38.6998 19.5696 30.2959 14.3025 47.6762 7.2416 33.3541 10.6374 34.1141 7.1903 13.1636 15.0662 25.2144 53.5259 652.6844 40.8980 62.4702 22.4161 28.6435 5.8388 15.1885 17.4352 37.2261 140.6077 183.4044 130.5214 139.7114 99.2015 111.9044 21.7889 102.4940 77.3296 36.5256 89.5660 137.5544 65.3093 34.0060 76.6024 35.7932 66.3060 124.2017 45.4588 63.7553 49.6888 34.5590 19.1619 31.7206 44.7581 61.3744
0.7158 0.7494 0.6845 0.7476 0.7234 0.7309 0.7373 0.7200 0.6970 0.7075 0.6392 0.7479 0.6998 0.5506 0.6402 0.7024 0.4400 0.1558 0.7411 0.7231 0.3662 0.6391 0.7195 0.2028 0.5089 0.6274 0.7268 0.4095 0.5200 0.3752 0.6283 0.7416 0.4889 0.2704 0.5790 0.4692 0.1740 0.3201 0.7495 0.6481 0.2016 0.3652 0.3777 0.6692 0.7486 0.1297 0.2771 0.4142 0.3611 0.5908 0.2489 0.2961 0.1946 0.7495 0.2121 0.4775 0.3151 0.3705 0.2861 0.7493 0.7393 0.7491 0.4758 0.6259 0.6276 0.6057 0.1647 0.5909 0.2259 0.1090 0.3556 0.2361 0.6708 0.4874 0.7484 0.6774 0.7395 0.2004 0.7475 0.7083 0.3530 0.5032 0.7474 0.7498 0.7497 0.7485 0.6902 0.7087 0.1487 0.7035 0.4730 0.3932 0.7432 0.5225 0.3515 0.7500 0.7369 0.2287 0.6834 0.1260 0.5017 0.2771 0.5385 0.5842 0.7476 0.7378 0.5339 0.5109 0.7375 0.7298 0.2523 0.5583 0.7353 0.7425 0.2950 0.6658 0.5903 0.7455 0.3681 0.6656 0.7435 0.5939 0.7497 0.7487 0.6853 0.5190 0.5244 0.7279 0.6588 0.7216 0.7419 0.6594 0.3069 0.3843 0.5414 0.1530 0.3412 0.2514 0.2440 0.6357 0.3179 0.6812 0.5387 0.1635 0.0678 0.0165 0.0830 0.0795 0.0078 0.7192 0.7499 0.6088 0.0507 0.0523 0.6523 0.7466 0.6323 0.7500 0.2027 0.3569 0.7235 0.1331 0.6287 0.0186 0.7471 0.4296 0.5883 0.7491 0.6728 0.1266 0.3667
0.8344 0.8568 0.8127 0.8556 0.8395 0.8445 0.8488 0.8372 0.8214 0.8287 0.7799 0.8558 0.8234 0.7101 0.7806 0.8252 0.6111 0.2695 0.8513 0.8393 0.5360 0.7798 0.8369 0.3371 0.6746 0.7711 0.8418 0.5810 0.6842 0.5456 0.7717 0.8516 0.6567 0.4257 0.7334 0.6387 0.2965 0.4849 0.8568 0.7865 0.3355 0.5350 0.5483 0.8018 0.8563 0.2297 0.4340 0.5858 0.5307 0.7427 0.3987 0.4570 0.3258 0.8568 0.3500 0.6464 0.4793 0.5407 0.4449 0.8567 0.8501 0.8565 0.6448 0.7699 0.7712 0.7545 0.2828 0.7429 0.3686 0.1966 0.5247 0.3821 0.8029 0.6554 0.8561 0.8077 0.8502 0.3338 0.8555 0.8293 0.5218 0.6695 0.8555 0.8570 0.8570 0.8561 0.8167 0.8295 0.2589 0.8260 0.6422 0.5645 0.8527 0.6864 0.5202 0.8571 0.8485 0.3722 0.8120 0.2238 0.6682 0.4339 0.7000 0.7376 0.8556 0.8492 0.6962 0.6763 0.8489 0.8438 0.4029 0.7166 0.8475 0.8522 0.4557 0.7994 0.7424 0.8542 0.5382 0.7992 0.8529 0.7452 0.8570 0.8563 0.8133 0.6833 0.6880 0.8425 0.7943 0.8383 0.8518 0.7947 0.4696 0.5552 0.7025 0.2654 0.5087 0.4018 0.3923 0.7773 0.4824 0.8104 0.7002 0.2810 0.1270 0.0325 0.1532 0.1472 0.0156 0.8367 0.8571 0.7568 0.0966 0.0994 0.7895 0.8549 0.7747 0.8571 0.3371 0.5260 0.8396 0.2350 0.7720 0.0365 0.8553 0.6010 0.7408 0.8566 0.8044 0.2248 0.5367
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
6 6 7 6 8 6 6 6 16 6 7 6 16 6 6 8 6 6 7 6 8 7 6 8 6 6 6 6 6 7 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 1 1
12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 31.97207 12.00000 14.00307 12.00000 31.97207 12.00000 12.00000 15.99491 12.00000 12.00000 14.00307 12.00000 15.99491 14.00307 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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 1.00783 1.00783
6948.7292 37608.0331 43716.8393
0.99999 0.00508 -0.00153 -0.00509 0.99997 -0.00618 0.00150 0.00619 0.99998
1
0.01246 0.00230 0.00198
0.25972 0.04799 0.04128
13.67 21.18 42.73 53.25 67.02 79.53 86.56 98.37 102.36 113.81 120.63 137.41 151.01 174.19 178.40 195.50 216.93 219.71 230.76 269.11 275.74 310.51 315.66 332.04 350.34 353.06 376.68 405.67 418.98 434.61 454.70 465.82 475.31 522.68 539.02 547.59 558.88 579.73 585.29 614.21 617.45 643.81 651.81 653.39 682.15 711.93 725.90 744.45 798.08 800.63 809.70 890.72 906.79 910.81 965.87 1005.62 1023.46 1025.44 1078.24 1090.78 1101.06 1117.62 1166.11 1178.24 1201.70 1212.76 1237.54 1261.23 1268.42 1272.95 1279.64 1362.05 1378.02 1398.99 1448.68 1460.27 1468.59 1479.83 1504.80 1528.57 1571.31 1584.10 1615.65 1657.82 1694.40 1702.79 1726.60 1737.24 1745.60 1752.32 1781.24 1789.13 1827.55 1842.98 1846.30 1873.43 1877.83 1898.56 1946.16 1952.17 1975.43 2013.46 2071.36 2085.58 2092.23 2120.58 2155.14 2164.88 2188.54 2199.09 2207.31 2231.60 2237.23 2247.09 2251.42 2256.10 2261.43 2270.86 2275.81 2299.58 2339.85 2343.39 2347.04 2349.98 2353.37 2357.70 2359.14 2366.38 2367.52 2374.09 2378.52 2382.21 2386.61 2387.79 2403.99 2425.86 2442.58 2502.44 2583.62 2635.91 2711.71 2752.44 2773.90 2831.39 4584.95 4600.65 4613.09 4627.92 4649.66 4667.34 4680.75 4682.33 4695.02 4704.99 4713.45 4716.15 4719.19 4733.71 4735.16 4745.79 4750.18 4760.89 4777.00 4783.23 4792.62 4821.10 4833.20 4861.85 4903.66 5393.50 5731.47
0.509883
0.541354
0.542299
0.443689
-2177.256467
-2177.224996
-2177.224052
-2177.322662
3.307396D-04
MUNgauss
RevisionA2.0
retrievium
13-Jan-2021
DUDE CCn1c(=O)c2c(c(sc2nc1SCC(=O)c3c(n(c(=O)n(c3=O)C)CC(C)C)N)C)C C09357784
RHF
6-31G(d)
(6D,10F)
C1
477.150448
|X|Y|Z|
61.393370 143.148132 20.470087
56.451517
18
|36.858105|
|12.503827|36.858105|
|7.635661|12.915231|53.358707|
|5.898434|7.816153|18.416049|36.858105|
|5.871936|7.171223|11.462414|15.841715|73.516695|
|4.244696|5.103209|10.843298|13.190928|14.336305|36.858105|
|3.341597|3.780860|6.830622|7.295787|11.049952|13.106166|36.858105|
|2.833166|3.151772|5.554007|5.134709|7.781789|8.238337|14.151546|36.858105|
|2.896451|3.259421|5.933009|4.854072|6.884478|7.449554|7.356571|10.829076|388.023441|
|3.879680|4.620441|9.791949|7.942040|9.586999|14.024798|8.089611|7.653887|78.514522|36.858105|
|4.240294|5.161838|11.070391|6.717344|8.392238|7.870235|5.202487|4.982546|50.079206|14.048435|53.358707|
|5.666528|7.632017|18.947211|7.850035|9.651765|7.000885|4.583657|4.082301|35.122976|8.515614|20.246382|36.858105|
|5.256101|6.384305|9.663834|4.735238|6.856672|4.240239|3.213965|2.989506|25.357121|4.895500|9.815561|10.749780|388.023441|
|3.590279|4.046804|6.414234|3.692368|5.419416|3.700269|2.959012|2.927230|26.633216|4.628991|9.338216|6.945211|74.393307|36.858105|
|3.102509|3.356603|4.893524|2.917970|4.483551|2.870173|2.396369|2.375011|20.649343|3.381395|6.042712|4.639297|50.044172|12.540308|36.858105|
|3.271335|3.490593|4.797491|2.823471|4.426202|2.682579|2.243526|2.182130|18.307211|3.039907|5.277620|4.313495|49.691995|8.125547|15.704402|73.516695|
|2.522615|2.683578|3.926593|2.459136|3.835525|2.485145|2.146046|2.175982|18.954102|2.920601|4.938910|3.575133|32.916312|7.362019|12.986874|14.421648|36.858105|
|2.245578|2.347573|3.330437|2.117221|3.373860|2.114963|1.858715|1.876105|15.845227|2.412009|3.926367|2.898873|26.161036|4.919767|7.657873|11.996599|13.581441|36.858105|
|1.946363|2.023054|2.881298|1.876284|3.015052|1.897618|1.700127|1.734998|14.561358|2.151711|3.403256|2.462963|20.996121|3.814142|5.086053|8.083164|7.914015|13.921913|53.358707|
|1.848819|1.928758|2.799687|1.851544|2.963753|1.909221|1.728685|1.791894|15.223841|2.187742|3.417939|2.402579|19.640170|3.643691|4.444015|6.735464|6.754930|7.887211|18.600749|36.858105|
|1.658687|1.721626|2.488157|1.668856|2.695199|1.725315|1.583957|1.648091|13.811324|1.954751|2.989106|2.098316|16.748342|2.976636|3.474341|5.463474|4.742752|5.448911|11.528443|15.918905|73.516695|
|1.992064|2.098832|3.119241|2.061845|3.254443|2.161356|1.946217|2.040233|17.841346|2.536481|4.010402|2.739935|22.030599|4.359261|5.043420|7.106849|7.877923|6.937631|11.016131|14.017316|15.127736|53.358707|
|2.322752|2.479623|3.742899|2.415149|3.744596|2.527134|2.217770|2.308269|20.696948|3.038681|5.032819|3.418907|28.428145|6.401445|7.506022|9.279322|13.141620|7.757802|9.260516|7.803778|9.593746|18.568443|36.858105|
|2.436872|2.635289|4.122217|2.682906|4.086756|2.889030|2.522599|2.671704|25.082533|3.608753|6.051178|3.869996|30.185144|7.097154|6.565848|8.235941|8.103667|5.323591|6.484693|5.438804|7.564186|11.580053|15.865793|73.516695|
|1.824202|1.920313|2.884281|1.953842|3.094260|2.088867|1.921014|2.053357|18.011605|2.451658|3.748586|2.498801|19.059191|3.602897|3.804567|5.562664|5.046781|4.524171|7.054073|7.955975|12.762408|17.689603|7.708339|12.515172|36.858105|
|1.743890|1.797994|2.518820|1.656822|2.699355|1.663383|1.506354|1.530460|12.571259|1.850941|2.869761|2.099960|17.639378|2.998971|3.812947|6.517257|5.029459|7.589467|17.527486|7.891459|12.891401|7.076643|4.460067|6.195670|3.966529|36.858105|
|1.651117|1.672352|2.331526|1.545934|2.535693|1.550403|1.413882|1.435661|11.674514|1.710750|2.621777|1.920900|15.900235|2.633186|3.233945|5.612008|4.026750|5.453382|10.214720|5.914626|10.725407|5.799890|3.687336|5.346914|3.485830|12.415608|36.858105|
|1.478787|1.497082|2.071136|1.385571|2.293314|1.385988|1.274740|1.292136|10.365012|1.512148|2.286520|1.680774|13.708459|2.202535|2.624623|4.638518|3.110554|3.955203|6.748114|4.265114|8.182437|4.474800|2.898088|4.369348|2.850777|7.645641|12.435141|36.858105|
|1.770860|1.765596|2.435667|1.603206|2.635415|1.591344|1.442282|1.452180|11.748925|1.746471|2.689912|1.998852|16.801919|2.723777|3.382275|6.067756|4.014495|5.342287|8.276377|4.714582|7.897303|5.130799|3.506816|5.169075|3.082798|7.417805|12.444804|7.555809|36.858105|
|2.288199|2.369823|3.260656|2.057224|3.317328|2.011680|1.764592|1.755650|14.507211|2.246234|3.632235|2.772670|25.703098|4.363682|6.689365|13.101505|7.977969|14.359065|11.262176|5.293951|7.440845|6.369644|5.164816|7.165619|3.442237|6.804621|5.229234|3.991424|5.629328|53.358707|
|2.334695|2.533957|4.207053|3.705890|6.003326|5.028964|7.371573|12.674569|48.503043|4.831486|4.948715|3.096345|17.292497|2.432222|2.042533|3.350739|1.916720|1.679780|2.148738|1.643796|2.723765|2.528071|2.050931|4.171490|1.903380|1.406737|1.327700|1.204283|1.335120|2.138838|36.858105|
|3.145401|3.458606|5.698612|6.021320|11.212542|7.346410|12.647259|7.481128|33.330114|5.054912|5.191566|3.629665|19.357952|2.461032|2.063983|3.505417|1.859661|1.643008|2.057480|1.527253|2.508894|2.302630|1.898045|3.752604|1.668353|1.358006|1.282973|1.167528|1.312123|2.150213|5.938580|36.858105|
|17.574841|8.782364|9.332917|5.148753|8.507828|4.018290|3.168420|2.768156|20.812055|3.887047|6.039534|5.911004|42.496836|4.031569|3.489156|6.572144|2.790984|2.467722|2.880686|1.999888|3.167033|2.938421|2.540521|4.715261|1.957542|1.880790|1.787875|1.585373|1.938742|3.423582|2.288935|2.903888|0.500000|
|17.548992|8.877375|7.578595|4.591433|8.514564|3.474876|2.857868|2.461175|17.755983|3.204819|4.729682|4.441412|31.671682|3.159802|2.850238|5.474960|2.345618|2.132878|2.525428|1.747768|2.802204|2.528314|2.139016|3.927141|1.697421|1.684301|1.600219|1.444691|1.723030|3.008417|2.077775|2.760683|0.301291|0.500000|
|17.596047|8.840279|9.396415|6.316104|12.128272|4.493917|3.619397|2.997139|21.007169|3.906109|5.472773|5.034721|30.681005|3.186203|2.743775|5.025871|2.292610|2.046499|2.451317|1.731081|2.782655|2.545250|2.156468|4.058320|1.737284|1.619472|1.543814|1.388414|1.648870|2.808030|2.468942|3.504566|0.299985|0.301239|0.500000|
|8.869026|17.694529|12.612333|7.647788|14.794398|4.897923|3.791441|3.094319|21.804990|4.193302|5.958035|5.820640|34.444076|3.389017|2.880550|5.303626|2.372287|2.105065|2.505084|1.763640|2.825230|2.597682|2.218857|4.187232|1.765495|1.653620|1.540076|1.392390|1.614718|2.894552|2.515826|3.634957|0.173234|0.213081|0.213717|0.500000|
|8.809041|17.663888|12.436197|5.798746|9.318068|4.291834|3.278578|2.839401|21.524090|4.154822|6.673948|7.260075|54.147899|4.438195|3.763611|7.196536|2.925368|2.562881|2.959293|2.043807|3.220671|3.008892|2.633037|4.899086|1.991430|1.929620|1.776637|1.587327|1.877179|3.572023|2.322985|2.977322|0.209249|0.213110|0.173223|0.304042|0.500000|
|3.498830|3.782560|6.161568|3.684449|5.380410|3.821706|3.081709|3.102997|29.068285|4.922175|9.821942|6.583719|56.144353|17.693918|8.830076|11.041691|6.617580|4.535115|5.001852|3.638092|5.324977|6.091274|6.511037|13.942539|3.806202|2.886777|2.601994|2.164397|2.706702|5.353195|2.573443|2.529402|0.111035|0.084424|0.088600|0.088366|0.109713|0.500000|
|3.239642|3.776051|6.147286|3.668695|5.355710|3.806491|3.070706|3.093131|28.983924|4.902755|9.781970|6.565191|56.146792|17.693641|8.837337|11.068579|6.602340|4.522222|4.982793|3.615476|5.296383|6.033352|6.470566|13.927704|3.768883|2.893972|2.502547|2.119839|2.516334|5.352120|2.566810|2.521235|0.097133|0.079755|0.081321|0.090745|0.114070|0.307068|0.500000|
|1.731894|1.797584|2.679794|1.827546|2.916457|1.947640|1.806083|1.928182|16.640839|2.257427|3.406441|2.289953|17.384703|3.178826|3.367442|5.060438|4.337072|4.080872|6.527161|7.179640|13.006297|12.397893|5.956909|9.708970|17.644579|3.851807|3.587079|2.931357|3.169559|4.353978|1.803817|1.581651|0.051765|0.044916|0.046059|0.045984|0.051474|0.094716|0.089806|0.500000|
|1.919196|2.032888|3.111250|2.120095|3.324718|2.307175|2.122667|2.301417|20.751807|2.760850|4.211325|2.727709|20.234598|3.890634|3.863154|5.553540|4.847979|4.070610|5.869735|5.813509|9.148394|12.554842|7.654396|15.281521|17.740626|3.355505|2.990868|2.488520|2.745402|4.323995|2.125467|1.817773|0.057142|0.049136|0.051008|0.051832|0.058101|0.117375|0.115569|0.299125|0.500000|
|1.701034|1.802089|2.690243|1.834244|2.924022|1.957649|1.815348|1.940683|16.790068|2.273081|3.431086|2.301702|17.453002|3.200534|3.381418|5.069366|4.357074|4.071679|6.477081|7.070239|12.678692|12.369635|6.041018|9.943185|17.631879|3.849249|3.317184|2.804386|2.857696|4.343302|1.815590|1.588006|0.050211|0.044229|0.045037|0.046444|0.052039|0.091203|0.094854|0.301253|0.299409|0.500000|
|1.625367|1.686577|2.374580|1.576944|2.573957|1.593965|1.454977|1.486590|12.191157|1.772323|2.719461|1.971362|16.215038|2.747612|3.363029|5.669941|4.359457|5.872287|12.616334|7.704176|14.719630|6.870081|4.138972|5.891385|4.061301|17.692717|8.895415|7.194390|5.474607|7.026515|1.376056|1.313446|0.048278|0.043586|0.042162|0.043414|0.050068|0.073597|0.075429|0.109119|0.093710|0.114853|0.500000|
|1.773683|1.833368|2.536592|1.658668|2.712881|1.648067|1.486745|1.498543|12.215704|1.820444|2.828950|2.100870|17.913031|2.966814|3.828361|6.843309|4.780125|7.272167|12.399265|5.824845|9.343576|5.908505|4.012372|5.707153|3.381941|17.635246|8.749695|6.857415|6.711267|10.689055|1.372977|1.346437|0.052970|0.047943|0.045459|0.046907|0.055173|0.077609|0.079306|0.089803|0.082220|0.092013|0.306024|0.500000|
|1.612326|1.631409|2.297516|1.534257|2.511005|1.553046|1.423716|1.456300|11.895160|1.721486|2.623872|1.898203|15.447355|2.591488|3.103446|5.238285|3.912798|4.970673|9.542565|6.522978|12.958631|6.289361|3.799374|5.540228|3.893004|8.989197|17.579375|8.928214|8.918653|6.048071|1.352865|1.288196|0.048512|0.043150|0.042155|0.041755|0.047750|0.072494|0.068794|0.115951|0.090768|0.101725|0.216180|0.174366|0.500000|
|1.485471|1.505114|2.063690|1.376019|2.285102|1.366545|1.253858|1.263782|10.084254|1.483101|2.245254|1.665959|13.694985|2.164828|2.595218|4.690548|3.004590|3.841334|6.189069|3.772951|6.936895|4.079604|2.728468|4.139929|2.583520|6.890986|8.745875|17.515744|6.787414|5.583471|1.175187|1.152536|0.044119|0.040558|0.038586|0.038955|0.044574|0.058376|0.057804|0.072420|0.063660|0.070882|0.175888|0.202679|0.173498|0.500000|
|1.416899|1.422848|1.964986|1.321353|2.195432|1.321637|1.220883|1.237295|9.866258|1.435163|2.155643|1.584475|12.803207|2.033228|2.381322|4.218237|2.764818|3.389225|5.545596|3.654176|7.031392|3.987103|2.607116|4.003178|2.605499|5.526956|8.792134|17.564558|6.949837|4.664137|1.157521|1.122570|0.042215|0.038515|0.037120|0.036820|0.041665|0.056064|0.054141|0.075710|0.063910|0.070688|0.144928|0.139991|0.212822|0.301972|0.500000|
|1.407639|1.434503|1.994850|1.342047|2.221198|1.349864|1.247587|1.270331|10.193238|1.474251|2.217338|1.618359|13.049120|2.106027|2.473052|4.312961|2.945433|3.651678|6.357176|4.270056|8.677128|4.456625|2.822814|4.285704|2.909423|6.988964|8.753952|17.556185|5.485351|4.854889|1.189456|1.142518|0.041683|0.038126|0.036831|0.037224|0.042160|0.057459|0.057111|0.083059|0.069857|0.081481|0.217800|0.169815|0.214394|0.301044|0.301998|0.500000|
|1.669059|1.648933|2.271695|1.508694|2.493567|1.499398|1.368759|1.379222|11.070843|1.635126|2.490278|1.846282|15.238680|2.428595|2.911450|5.212337|3.355817|4.159267|6.335894|3.952319|6.897059|4.459393|3.040059|4.613984|2.797338|5.446386|8.820749|6.897021|17.564283|5.856728|1.275615|1.251735|0.050680|0.045214|0.043486|0.042061|0.048290|0.067927|0.062506|0.081565|0.069842|0.072192|0.123469|0.137949|0.215296|0.167436|0.208567|0.141359|0.500000|
|1.791459|1.785051|2.430526|1.592307|2.629621|1.564986|1.414336|1.413744|11.353947|1.704823|2.628328|1.979328|16.837956|2.659790|3.330229|6.217901|3.796412|5.069913|7.257367|4.047432|6.705238|4.541258|3.213417|4.796705|2.741858|6.623870|8.736012|6.867803|17.498657|8.143293|1.296724|1.293009|0.054340|0.048850|0.046058|0.045417|0.053122|0.072103|0.068121|0.076744|0.068918|0.071577|0.138338|0.194407|0.173267|0.202016|0.172482|0.139592|0.303010|0.500000|
|1.939355|1.926878|2.673315|1.746031|2.850264|1.734240|1.559989|1.570389|12.821400|1.918066|2.987352|2.219281|18.896464|3.123911|3.959592|7.014926|4.764021|6.318911|9.107548|5.132767|8.080085|5.773892|4.057271|5.891070|3.366907|6.721331|8.713222|5.472907|17.561503|8.723864|1.433805|1.409627|0.059651|0.052027|0.050002|0.048487|0.056890|0.087233|0.078531|0.095883|0.083996|0.084228|0.138437|0.166449|0.211132|0.139034|0.141143|0.122261|0.302964|0.300289|0.500000|
|2.561745|2.656217|3.602006|2.229394|3.588101|2.146968|1.859633|1.830134|15.074842|2.387760|3.915143|3.069415|29.946895|4.871876|7.833199|18.829875|7.506883|9.581914|8.107204|4.333615|6.237163|5.587181|4.794356|6.986891|3.123960|5.013263|4.157684|3.341384|4.617298|25.918871|1.622386|1.664651|0.078823|0.068910|0.063171|0.065471|0.083135|0.117894|0.117728|0.080444|0.082484|0.080265|0.113177|0.157049|0.101497|0.096091|0.082121|0.083818|0.103614|0.138376|0.146946|0.500000|
|2.095339|2.145100|2.924701|1.869638|3.047144|1.826565|1.619724|1.611685|13.149548|2.015793|3.198148|2.437615|21.904438|3.569009|4.985838|9.756508|5.798206|9.376677|10.295897|4.876875|7.252035|5.590258|4.250854|6.068421|3.139007|7.726928|6.164420|4.714628|6.918363|26.204214|1.455540|1.463629|0.063627|0.056783|0.052847|0.053998|0.065467|0.091675|0.090729|0.082968|0.079594|0.081944|0.154264|0.278297|0.135189|0.139584|0.110265|0.112483|0.139489|0.225384|0.201855|0.307909|0.500000|
|2.156134|2.366505|3.886491|3.323872|5.385053|4.367619|5.809587|8.867079|44.610698|4.376430|4.652680|2.905469|16.562161|2.367958|2.003189|3.274455|1.898441|1.666774|2.144191|1.649357|2.742460|2.539827|2.047270|4.170125|1.928497|1.405316|1.319831|1.200318|1.316909|2.114358|17.543400|4.828654|0.058772|0.053802|0.062398|0.065459|0.061255|0.068877|0.070547|0.050495|0.059937|0.051582|0.038407|0.038078|0.037382|0.032526|0.031974|0.033078|0.034888|0.035515|0.039135|0.044348|0.039985|0.500000|
|2.226158|2.365034|3.883574|3.323484|5.388138|4.365573|5.805379|8.867376|44.663792|4.376777|4.654582|2.905345|16.568938|2.370966|2.006055|3.277727|1.902284|1.670385|2.149830|1.655037|2.752349|2.549982|2.052990|4.179970|1.938366|1.406998|1.336405|1.210389|1.344729|2.117687|17.543584|4.822835|0.061474|0.055135|0.065442|0.064419|0.060498|0.070810|0.068820|0.051463|0.060348|0.051085|0.038225|0.037945|0.038024|0.032680|0.032416|0.033203|0.035824|0.036109|0.040174|0.044419|0.040127|0.301974|0.500000|
|2.269444|2.442947|3.962290|3.551076|6.003890|4.577539|6.897855|8.878476|36.302123|4.124345|4.347748|2.826738|15.981417|2.202065|1.874640|3.114475|1.754730|1.554052|1.989319|1.511665|2.514309|2.298957|1.854484|3.714876|1.721069|1.313135|1.244007|1.134629|1.254530|1.996748|17.623139|6.730218|0.061079|0.056559|0.067430|0.068488|0.061808|0.064112|0.063940|0.045531|0.052771|0.045780|0.035671|0.035737|0.035111|0.030844|0.030364|0.031106|0.033389|0.033972|0.037290|0.042151|0.037923|0.302255|0.302276|0.500000|
|3.168244|3.591988|5.754365|6.066022|12.154821|6.590916|8.888664|5.864368|29.252940|4.610546|4.940463|3.565212|19.249503|2.405664|2.031924|3.482013|1.822244|1.617251|2.020455|1.491308|2.449592|2.236072|1.843216|3.616316|1.610757|1.338756|1.259639|1.150378|1.286545|2.130047|4.820494|17.586058|0.079522|0.078316|0.096808|0.109104|0.086094|0.067371|0.068842|0.042266|0.048459|0.042836|0.036005|0.037065|0.034976|0.031668|0.030664|0.031290|0.034018|0.035383|0.038260|0.045943|0.040296|0.117760|0.109672|0.148610|0.500000|
|2.677855|2.892092|4.636091|4.510698|8.276061|5.458110|8.845856|7.046679|30.630243|4.226104|4.462796|3.071906|17.002940|2.219238|1.887746|3.197589|1.727110|1.536004|1.941860|1.450218|2.398717|2.182124|1.777884|3.509295|1.597582|1.287390|1.220046|1.114663|1.242632|2.004627|6.779397|17.616820|0.069713|0.066482|0.081946|0.083826|0.070861|0.063612|0.063429|0.042240|0.048351|0.042416|0.034737|0.035360|0.034137|0.030509|0.029832|0.030390|0.033039|0.033938|0.036948|0.042814|0.038076|0.149790|0.149496|0.250177|0.301266|0.500000|
|3.400957|3.585635|5.742160|6.063484|12.201721|6.583359|8.888553|5.866811|29.255197|4.608213|4.939264|3.562629|19.248200|2.407270|2.033725|3.484031|1.824623|1.619713|2.024178|1.494764|2.455490|2.241814|1.846347|3.620609|1.615677|1.339614|1.273376|1.158715|1.311688|2.132403|4.823608|17.587117|0.086535|0.082552|0.109395|0.104503|0.084011|0.069117|0.067204|0.042804|0.048649|0.042533|0.035841|0.036927|0.035482|0.031796|0.031039|0.031384|0.034863|0.035951|0.039203|0.045999|0.040422|0.109807|0.117689|0.148827|0.304298|0.301218|0.500000|
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