Version2.2
2021-02-05T21:35:08Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
03-Jan-2021
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE Cc1c(c(sc1c2ccccc2)NC(=O)CSc3nnc(s3)NC)C(=O)N4CCCCC4 C09365100
RHF
6-31G(d)
(6D,7F)
Cc1c(c(sc1c2ccccc2)NC(=O)CSc3nnc(s3)NC)C(=O)N4CCCCC4
C01[X(C22H25N5O2S3)]
165
C1
542
CNc1nnc(s1)SCC(=O)Nc1sc(c(c1C(=O)N1CCCCC1)C)c1ccccc1
CNc1nnc(s1)SCC(=O)Nc1sc(c(c1C(=O)N1CCCCC1)C)c1ccccc1
CNc1sc(SCC(=O)Nc2sc(c(C)c2C(=O)N3CCCCC3)c4ccccc4)nn1
InChIKey=WEGLVFHWZDIOBM-UHFFFAOYSA-N
InChI=1S/C22H25N5O2S3/c1-14-17(20(29)27-11-7-4-8-12-27)19(31-18(14)15-9-5-3-6-10-15)24-16(28)13-30-22-26-25-21(23-2)32-22/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3,(H,23,25)(H,24,28)
InChI=1/C22H25N5O2S3/c1-14-17(20(29)27-11-7-4-8-12-27)19(31-18(14)15-9-5-3-6-10-15)24-16(28)13-30-22-26-25-21(23-2)32-22/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3,(H,23,25)(H,24,28)/f/h23-24H
Cc1c(c(sc1c2ccccc2)NC(=O)CSc3nnc(s3)NC)C(=O)N4CCCCC4
C01[X(C22H25N5O2S3)]
165
C01
542
CNc1nnc(s1)SCC(=O)Nc1sc(c(c1C(=O)N1CCCCC1)C)c1ccccc1
CNc1nnc(s1)SCC(=O)N[C]1SC(=[C]([C]=1C(=O)N1CCCCC1)C)[C]1[CH][CH][CH][CH][CH]1
CNc1sc(SCC(=O)Nc2sc([C]3[CH][CH][CH][CH][CH]3)c(C)c2C(=O)N4CCCCC4)nn1
InChIKey=WEGLVFHWZDIOBM-UHFFFAOYSA-N
InChI=1S/C22H25N5O2S3/c1-14-17(20(29)27-11-7-4-8-12-27)19(31-18(14)15-9-5-3-6-10-15)24-16(28)13-30-22-26-25-21(23-2)32-22/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3,(H,23,25)(H,24,28)
InChI=1/C22H25N5O2S3/c1-14-17(20(29)27-11-7-4-8-12-27)19(31-18(14)15-9-5-3-6-10-15)24-16(28)13-30-22-26-25-21(23-2)32-22/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3,(H,23,25)(H,24,28)/f/h23-24H
3570.9575546645
-2462.1517055
1-A
26304.8717
128
414
542
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10.80610
0.1933 2.4730 0.4206
2.5159
|XX|YY|ZZ|XY|XZ|YZ|
-142.1403 -201.1532 -216.5679 12.5134 7.9963 11.7758
|XX|YY|ZZ|XY|XZ|YZ|
44.4802 -14.5327 -29.9475 12.5134 7.9963 11.7758
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-461.7836 59.9538 -0.8414 50.2086 -115.9543 -23.9794 -7.9298 8.4226 -14.4872 8.2958
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-20190.6175 -7289.2381 -1049.7831 397.1004 868.7467 -48.2950 63.9531 35.9249 7.9641 -5335.3576 -4832.1236 -1463.0038 33.0144 -76.1563 44.4638
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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
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11.9986 14.8394 23.9741 31.7374 34.5009 41.2997 53.4188 58.2881 68.8251 71.0234 83.6800 91.0125 103.4418 107.5081 129.1787 140.3833 148.6247 154.3217 185.9273 192.6646 198.4423 206.0675 232.0713 247.5965 256.8027 271.1310 294.6257 298.6076 310.6537 346.3130 372.3464 393.8993 403.7548 421.6565 434.2423 449.7544 457.0515 458.2340 458.5002 474.6555 504.1332 517.8943 544.7228 569.8620 606.3911 607.5436 630.5893 634.7884 662.9663 668.8447 682.4050 687.5741 694.1992 711.5461 724.1827 734.3095 777.2691 791.5830 802.7764 818.2661 836.2651 842.6568 861.8709 884.7312 889.9503 897.3994 906.9480 936.0339 959.8842 965.1258 1002.6910 1018.3902 1027.7469 1052.7361 1056.8368 1080.4614 1089.5335 1103.8392 1104.5952 1124.5310 1127.1603 1131.0455 1133.7804 1148.2367 1152.5539 1164.4456 1169.3443 1171.2949 1185.5697 1214.1121 1216.7231 1252.6575 1255.5382 1275.1375 1292.4187 1299.8964 1301.2435 1303.8598 1312.3396 1329.9377 1357.3074 1359.3227 1384.3437 1391.2878 1402.0891 1429.0604 1438.2261 1471.9362 1487.5651 1490.6060 1503.1624 1523.7998 1528.6377 1532.9919 1554.9154 1575.4176 1589.3068 1600.9750 1603.7412 1607.8230 1627.4090 1629.4701 1631.1373 1633.7773 1636.7571 1638.6487 1640.8930 1647.5965 1650.2769 1662.1104 1669.1649 1689.7608 1713.4173 1735.1761 1763.7696 1773.0493 1780.6358 1810.8390 1867.6748 1972.9054 3185.4806 3198.7725 3202.9340 3209.6928 3214.5675 3218.0279 3223.4776 3240.4928 3243.4314 3254.6714 3267.2473 3277.6448 3293.7983 3309.9519 3319.1073 3333.2558 3342.1411 3349.9038 3356.7656 3365.9530 3376.8641 3384.3983 3391.6344 3804.3912 3856.1630
5.8493 6.9617 5.8874 6.0356 3.8472 4.9902 5.2797 5.6345 4.9155 4.5518 4.0446 4.3070 4.2637 4.3283 4.9314 6.3088 1.9975 1.9149 3.6238 2.1398 2.6015 2.0822 3.2608 4.3768 5.0356 4.8263 3.7296 2.4107 6.0451 5.9664 3.7696 3.4665 6.2794 5.0460 5.3779 3.1186 2.9500 4.0035 3.4209 2.7988 3.2431 3.0288 4.4491 5.2981 2.9717 2.6817 2.7617 12.3741 6.4244 5.6202 9.2324 5.0385 9.8543 4.8284 1.4240 4.5998 2.0484 6.3075 4.1389 8.5525 3.6059 3.9273 2.0949 4.1844 1.5281 5.1802 4.7168 1.4324 1.2454 2.6018 3.3602 1.9189 2.9392 1.2965 1.8497 3.0541 5.9206 1.8185 2.2861 2.2754 1.3391 3.8521 2.2484 1.9984 1.6608 11.2312 1.4803 2.4475 1.7487 4.2074 2.4060 1.9348 1.3299 1.9341 1.8569 1.3779 1.3158 1.1537 2.0586 1.5395 2.8912 2.0770 3.1002 2.2556 1.2540 2.9930 1.3244 1.3906 1.7586 1.2991 3.3266 1.4073 1.4912 1.5105 1.4117 1.2781 2.1361 1.2522 1.2189 2.0946 1.2008 1.6902 1.0781 1.0967 1.1587 1.2367 1.0992 1.1426 1.1102 1.1912 2.2326 1.4210 9.0307 2.9159 8.3285 4.8406 5.7241 5.4399 9.0796 9.9295 1.0705 1.0651 1.0746 1.0631 1.0753 1.0414 1.0399 1.0919 1.1023 1.1041 1.0597 1.1012 1.0977 1.1017 1.1067 1.1050 1.0933 1.0930 1.0865 1.0899 1.0931 1.0958 1.0989 1.0794 1.0776
0.0005 0.0009 0.0020 0.0036 0.0027 0.0050 0.0089 0.0113 0.0137 0.0135 0.0167 0.0210 0.0269 0.0295 0.0485 0.0733 0.0260 0.0269 0.0738 0.0468 0.0604 0.0521 0.1035 0.1581 0.1957 0.2090 0.1907 0.1266 0.3437 0.4216 0.3079 0.3169 0.6031 0.5286 0.5975 0.3717 0.3631 0.4953 0.4237 0.3715 0.4856 0.4786 0.7778 1.0137 0.6438 0.5832 0.6470 2.9378 1.6637 1.4813 2.5331 1.4034 2.7980 1.4403 0.4400 1.4613 0.7291 2.3286 1.5715 3.3739 1.4858 1.6430 0.9169 1.9298 0.7131 2.4579 2.2859 0.7394 0.6761 1.4279 1.9904 1.1725 1.8291 0.8466 1.2172 2.1006 4.1409 1.3055 1.6435 1.6954 1.0024 2.9034 1.7029 1.5524 1.2998 8.9726 1.1926 1.9783 1.4481 3.6541 2.0986 1.7887 1.2351 1.8529 1.8275 1.3718 1.3127 1.1556 2.0889 1.6043 3.1382 2.2612 3.5005 2.5724 1.4524 3.6013 1.6141 1.7752 2.2928 1.7006 4.4285 1.9252 2.0530 2.0915 2.0110 1.8690 3.1790 1.8910 1.8471 3.1903 1.8738 2.6441 1.6900 1.7248 1.8289 1.9565 1.7438 1.8274 1.7814 1.9389 3.6648 2.3906 15.6206 5.1727 15.2651 8.9659 10.6933 10.5100 18.6603 22.7713 6.4001 6.4208 6.4953 6.4528 6.5467 6.3542 6.3665 6.7552 6.8324 6.8908 6.6648 6.9703 7.0163 7.1115 7.1834 7.2336 7.1952 7.2267 7.2134 7.2750 7.3439 7.3949 7.4475 9.2049 9.4413
1.0454 0.5593 1.1543 0.8397 0.1375 0.8365 0.6075 0.3915 1.3337 1.2382 1.9123 3.8701 2.5221 12.0712 0.3695 1.3017 2.3953 4.2482 6.9780 1.3647 2.1235 7.4293 3.5578 5.1073 2.0282 7.6142 4.1030 3.2956 5.0138 11.6598 3.7643 33.2730 1.6861 4.6738 25.6451 3.9826 0.0205 61.2718 63.8841 5.8984 4.9592 46.1829 15.0713 2.8778 10.1977 7.4673 19.6603 1.0125 14.6368 1.3992 2.9620 0.1092 26.6644 10.2187 54.3286 15.7139 19.9921 47.4134 20.4747 14.5501 9.2974 7.9113 26.2449 20.5714 0.7226 16.6957 14.5010 11.4292 0.0115 0.8427 1.2968 8.8675 1.5680 4.4438 3.9105 11.6010 0.2930 18.7372 25.9932 32.6923 0.4551 13.7046 2.4465 6.9107 1.0572 106.8790 0.6387 13.2990 2.0850 43.4657 1.3763 17.1019 21.2628 33.9504 86.9165 23.3520 25.5084 1.3306 3.7201 2.5587 233.9888 112.3241 138.8872 163.8331 40.8051 55.7030 28.4459 5.6704 20.9408 1.2756 137.1850 9.5607 6.3078 9.3713 3.5454 12.6685 227.3338 123.9953 27.9368 3.9740 18.2741 70.7373 38.5343 1.9677 33.2310 73.7576 5.0779 11.4532 6.3967 48.5405 1.8925 167.4924 249.5287 780.2840 231.6169 112.5247 111.1622 17.2576 334.5859 176.5088 26.1926 30.1746 16.0626 29.2732 28.1328 62.2324 40.9133 70.0730 51.4762 111.1981 16.6096 21.2838 43.2565 23.7850 0.0667 17.5258 22.6887 6.6252 2.1012 4.1949 31.9165 34.0476 18.7813 130.8895 44.5444
0.7900 2.7696 0.1742 0.8276 5.3049 1.9856 3.7309 4.0894 1.0839 0.5527 2.2750 0.2848 1.1067 0.6841 1.0093 0.8173 0.5030 0.7577 0.5645 1.5582 1.1944 0.3817 0.8441 1.3732 1.0762 0.4066 2.1661 0.6626 3.2283 3.2640 0.8324 1.3632 0.3802 0.6372 4.5041 2.5860 1.1859 0.5088 1.6642 0.5243 2.0257 1.0474 2.2300 11.6007 2.9867 2.1159 1.5342 1.1041 3.6808 6.4639 1.4490 4.1220 3.5623 8.3255 8.6565 4.9549 1.0176 2.8377 9.5516 3.1806 6.3685 8.5959 1.8570 23.1819 2.0560 23.7252 6.5979 2.3550 5.7863 1.5197 5.6481 1.6390 4.9723 1.2239 1.9070 13.6491 42.3338 1.7515 1.4848 3.3839 0.1869 4.5231 14.1567 6.6358 5.2326 2.2778 4.5795 10.7478 1.0936 11.0407 10.7002 2.0419 5.4182 1.9398 0.9505 10.7539 6.0405 4.5373 12.3107 1.1287 20.9765 12.0267 2.6359 4.3971 19.8832 62.7367 2.9361 1.9893 16.5690 0.5978 108.7554 1.5188 10.4975 5.1099 12.1117 13.8395 76.9903 11.8712 13.5996 19.9725 28.9441 145.0312 24.7818 27.6015 24.6290 39.2984 8.2636 8.7618 8.0730 5.5946 20.1387 14.0566 9.5664 266.6358 152.5534 12.5684 18.9478 281.2481 22.9491 34.5647 65.5846 43.1856 89.5596 95.6992 91.6748 126.1149 137.3502 176.4761 76.3335 74.2676 51.4039 62.6629 111.9084 65.0824 27.0198 67.0362 85.3524 51.8270 30.8230 127.1738 75.9455 7.9989 325.9901 67.9575 88.7416
0.7430 0.7475 0.6084 0.6543 0.7130 0.7187 0.6406 0.7484 0.7010 0.5701 0.6541 0.6983 0.6118 0.7343 0.7035 0.2206 0.1029 0.1134 0.4095 0.4871 0.2800 0.7282 0.5834 0.6839 0.3550 0.7416 0.6751 0.4331 0.7322 0.2431 0.6657 0.6648 0.7470 0.3839 0.6021 0.4992 0.4462 0.7316 0.4306 0.6045 0.5411 0.4511 0.7350 0.2027 0.1479 0.3148 0.7418 0.7429 0.3327 0.5263 0.1665 0.7493 0.2603 0.0664 0.2788 0.5426 0.6653 0.2154 0.3503 0.6131 0.1927 0.5325 0.7233 0.0348 0.6349 0.4711 0.0915 0.4398 0.4192 0.2460 0.2986 0.7393 0.2378 0.7146 0.4505 0.4092 0.1485 0.3774 0.3959 0.4896 0.6750 0.4229 0.1567 0.7472 0.7465 0.3103 0.6309 0.2292 0.6647 0.4197 0.7406 0.5826 0.6993 0.5814 0.6926 0.7470 0.7493 0.1730 0.1308 0.4198 0.2585 0.3754 0.5551 0.2660 0.7453 0.4849 0.7273 0.4837 0.4190 0.4792 0.4970 0.6906 0.7324 0.7492 0.2021 0.7499 0.2152 0.5977 0.6455 0.3006 0.1768 0.2388 0.7239 0.5533 0.3313 0.3740 0.7065 0.0660 0.7137 0.3417 0.1159 0.5350 0.3017 0.3225 0.2977 0.6538 0.5562 0.4392 0.2236 0.2170 0.3164 0.2687 0.2560 0.2570 0.4837 0.0532 0.0375 0.1221 0.7459 0.5114 0.0283 0.7260 0.4782 0.6735 0.7468 0.7472 0.3651 0.3645 0.7063 0.7490 0.6655 0.7376 0.1115 0.1196 0.2394
0.8526 0.8555 0.7566 0.7910 0.8324 0.8363 0.7809 0.8561 0.8242 0.7262 0.7909 0.8223 0.7591 0.8468 0.8259 0.3615 0.1865 0.2037 0.5811 0.6551 0.4375 0.8427 0.7369 0.8123 0.5240 0.8516 0.8060 0.6044 0.8454 0.3911 0.7993 0.7987 0.8552 0.5548 0.7517 0.6660 0.6171 0.8450 0.6020 0.7535 0.7022 0.6218 0.8472 0.3370 0.2576 0.4789 0.8517 0.8525 0.4992 0.6896 0.2855 0.8567 0.4131 0.1246 0.4361 0.7035 0.7990 0.3544 0.5189 0.7602 0.3231 0.6949 0.8395 0.0673 0.7767 0.6405 0.1677 0.6110 0.5907 0.3949 0.4599 0.8501 0.3843 0.8335 0.6212 0.5808 0.2586 0.5480 0.5673 0.6573 0.8060 0.5944 0.2710 0.8553 0.8548 0.4737 0.7737 0.3729 0.7986 0.5913 0.8510 0.7363 0.8230 0.7353 0.8184 0.8552 0.8567 0.2949 0.2313 0.5914 0.4108 0.5459 0.7139 0.4202 0.8541 0.6531 0.8421 0.6520 0.5906 0.6479 0.6640 0.8170 0.8456 0.8566 0.3362 0.8571 0.3542 0.7482 0.7845 0.4622 0.3005 0.3855 0.8398 0.7124 0.4978 0.5444 0.8280 0.1239 0.8329 0.5093 0.2078 0.6970 0.4635 0.4878 0.4588 0.7907 0.7148 0.6103 0.3655 0.3566 0.4807 0.4235 0.4077 0.4089 0.6521 0.1011 0.0723 0.2176 0.8544 0.6767 0.0550 0.8412 0.6470 0.8049 0.8551 0.8553 0.5349 0.5343 0.8279 0.8565 0.7991 0.8490 0.2006 0.2136 0.3863
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
6 6 6 6 16 6 6 6 6 6 6 6 7 6 8 6 16 6 7 7 6 16 7 6 6 8 7 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 14.00307 12.00000 31.97207 14.00307 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
10961.7526 38187.1859 47042.2586
0.99999 -0.00194 0.00381 0.00190 0.99994 0.01124 -0.00383 -0.01124 0.99993
1
0.00790 0.00227 0.00184
0.16464 0.04726 0.03836
17.26 21.35 34.49 45.66 49.64 59.42 76.86 83.86 99.02 102.19 120.40 130.95 148.83 154.68 185.86 201.98 213.84 222.03 267.51 277.20 285.51 296.49 333.90 356.24 369.48 390.10 423.90 429.63 446.96 498.27 535.72 566.73 580.91 606.67 624.78 647.10 657.60 659.30 659.68 682.92 725.34 745.13 783.73 819.90 872.46 874.12 907.28 913.32 953.86 962.32 981.83 989.27 998.80 1023.76 1041.94 1056.51 1118.32 1138.91 1155.02 1177.30 1203.20 1212.40 1240.04 1272.93 1280.44 1291.16 1304.90 1346.74 1381.06 1388.60 1442.65 1465.24 1478.70 1514.65 1520.55 1554.54 1567.60 1588.18 1589.27 1617.95 1621.73 1627.32 1631.26 1652.06 1658.27 1675.38 1682.43 1685.23 1705.77 1746.84 1750.59 1802.29 1806.44 1834.64 1859.50 1870.26 1872.20 1875.96 1888.16 1913.48 1952.86 1955.76 1991.76 2001.75 2017.29 2056.10 2069.29 2117.79 2140.27 2144.65 2162.72 2192.41 2199.37 2205.63 2237.18 2266.67 2286.66 2303.45 2307.43 2313.30 2341.48 2344.44 2346.84 2350.64 2354.93 2357.65 2360.88 2370.52 2374.38 2391.41 2401.56 2431.19 2465.23 2496.53 2537.67 2551.02 2561.94 2605.39 2687.17 2838.57 4583.20 4602.32 4608.31 4618.03 4625.05 4630.02 4637.87 4662.35 4666.57 4682.75 4700.84 4715.80 4739.04 4762.28 4775.46 4795.81 4808.60 4819.76 4829.64 4842.86 4858.55 4869.39 4879.81 5473.67 5548.16
0.486189
0.515731
0.516675
0.420135
-2461.665517
-2461.635974
-2461.635030
-2461.731570
3.237967D-04
MUNgauss
RevisionA2.1
retrievium
05-Feb-2021
DUDE Cc1c(c(sc1c2ccccc2)NC(=O)CSc3nnc(s3)NC)C(=O)N4CCCCC4 C09365100
RHF
6-31G(d)
(6D,10F)
C1
487.117041
|X|Y|Z|
74.864660 141.179356 27.722209
66.418943
27
|36.858105|
|12.614978|36.858105|
|7.299537|13.114559|36.858105|
|5.061585|8.144302|14.023906|36.858105|
|4.708599|7.384975|7.421846|11.029028|388.023441|
|7.529704|14.119268|8.203278|7.685404|77.584016|36.858105|
|6.064451|7.444828|5.048646|4.859190|48.715147|12.838994|36.858105|
|5.667249|5.921069|4.196689|3.894420|34.832088|7.618534|13.677311|36.858105|
|4.208703|4.186145|3.229125|3.071148|26.862034|5.046563|7.890557|13.760348|36.858105|
|3.573796|3.637960|2.910239|2.850663|25.398451|4.454466|6.820943|7.935097|13.750301|36.858105|
|3.662591|3.915308|3.150093|3.167476|29.514993|5.046349|7.891451|6.887863|7.954496|13.752093|36.858105|
|4.510765|5.222647|4.027953|4.095789|41.261626|7.616512|13.673171|7.954323|6.885117|7.933034|13.758698|36.858105|
|3.804458|5.192648|7.841043|13.720841|49.257394|4.952561|3.625290|3.047144|2.523647|2.387899|2.634922|3.248499|53.358707|
|3.068654|3.984076|5.159697|7.781075|42.736970|4.088750|3.216314|2.735532|2.328958|2.243223|2.484690|2.996944|19.073242|36.858105|
|2.931452|3.809849|4.550105|6.708148|47.353952|4.182660|3.392844|2.863584|2.454378|2.387697|2.668578|3.219241|11.509860|15.936237|73.516695|
|2.573107|3.141808|3.955489|5.088494|29.007904|3.124832|2.573562|2.255447|1.967819|1.906624|2.085968|2.437941|10.796789|12.562074|14.162551|36.858105|
|2.134755|2.540345|2.984301|3.686821|23.944971|2.614352|2.258930|2.007883|1.794028|1.762358|1.923997|2.194535|6.528057|7.006281|11.845785|10.511469|388.023441|
|1.887696|2.176038|2.539943|2.963511|18.840461|2.183395|1.912124|1.728575|1.560837|1.532111|1.654686|1.858270|5.090329|4.677101|7.511516|7.075180|76.986668|36.858105|
|1.908460|2.176907|2.573095|2.931687|18.009593|2.137732|1.860005|1.687929|1.519954|1.484368|1.596320|1.794081|5.071948|4.359829|6.665012|6.670373|50.099852|15.059441|53.358707|
|1.695325|1.895305|2.194812|2.432858|15.239586|1.857068|1.642311|1.506580|1.370644|1.341786|1.434099|1.591857|4.024765|3.318138|5.259545|4.507405|34.594706|8.608477|18.889196|53.358707|
|1.565006|1.745331|1.986803|2.207428|14.230633|1.732157|1.551685|1.428403|1.309701|1.288590|1.376189|1.515653|3.573847|2.988596|4.918942|3.882466|32.919039|8.006222|11.762593|20.346016|36.858105|
|1.615457|1.827522|2.068905|2.355644|15.578622|1.848948|1.660800|1.519999|1.394176|1.377820|1.479472|1.632079|3.820590|3.357866|5.737525|4.335573|44.455881|10.868613|10.207241|10.162260|10.878987|388.023441|
|1.411807|1.554434|1.745316|1.908745|12.450963|1.541696|1.396861|1.296235|1.197710|1.180409|1.254262|1.368582|3.014386|2.462875|4.114409|3.040907|24.937285|5.117198|7.382765|11.109995|13.995628|49.817918|53.358707|
|1.365259|1.486957|1.667374|1.794582|11.606592|1.460387|1.324462|1.233860|1.141393|1.122923|1.189267|1.294836|2.809760|2.234519|3.694571|2.716079|20.896563|4.032007|6.232797|9.274372|7.873103|33.399217|17.852337|36.858105|
|5.968508|7.216056|12.746254|7.704204|33.899710|5.065744|3.694097|3.290709|2.665448|2.418984|2.563054|3.104275|8.954504|4.490572|6.723996|3.825293|20.157461|2.529285|3.606447|3.104613|2.028646|14.596990|2.432674|1.732647|36.858105|
|4.550920|5.288625|8.125491|6.593504|29.805821|4.141535|3.161322|2.797725|2.336832|2.173259|2.328017|2.783240|9.245868|4.676649|6.698739|4.241130|21.517032|2.764541|4.043475|3.456907|2.216122|15.678451|2.637983|1.891136|15.706936|73.516695|
|5.906892|6.023685|7.759466|5.308189|27.363856|4.314884|3.362393|3.176301|2.600032|2.313068|2.379200|2.797342|6.350658|3.540391|5.522160|3.134329|17.370310|2.228468|3.183456|2.803949|1.846243|13.172434|2.245209|1.611675|14.027078|15.077112|53.358707|
|4.315370|4.181496|5.022071|3.939919|21.429784|3.263007|2.691877|2.580043|2.193906|1.983710|2.030841|2.325977|5.126405|3.016348|4.696811|2.830074|15.945402|2.120648|3.090939|2.775762|1.814979|12.661413|2.227563|1.623130|7.874919|12.548589|17.749878|36.858105|
|3.368374|3.413311|4.105378|3.506970|19.406235|2.820602|2.366875|2.290808|1.975597|1.793293|1.827248|2.068175|4.816836|2.946484|4.578432|2.857963|16.252507|2.200896|3.240274|2.928242|1.905114|13.154610|2.341407|1.711421|5.743394|9.815963|10.493650|12.471163|36.858105|
|3.302752|3.336200|3.836415|3.317169|19.117668|2.807247|2.392098|2.377748|2.050232|1.832441|1.837422|2.062181|4.427437|2.776424|4.439416|2.637412|15.448732|2.061955|2.972008|2.692618|1.782178|12.499688|2.201403|1.594722|4.817185|7.615408|8.930480|7.577705|12.442502|36.858105|
|3.941865|4.147869|4.796363|4.064708|23.242163|3.447127|2.863358|2.858306|2.397096|2.103441|2.103801|2.395144|5.179251|3.181691|5.141958|2.880634|16.740151|2.157541|3.046499|2.710029|1.807031|12.970238|2.212210|1.578715|5.659588|8.133265|10.520116|6.559871|7.557609|12.444174|36.858105|
|5.709572|5.748018|6.432077|4.763155|26.791617|4.322584|3.469616|3.447562|2.794242|2.413572|2.418805|2.806602|5.566641|3.267418|5.297745|2.855968|16.412625|2.085401|2.929528|2.595556|1.733629|12.514391|2.120377|1.512908|7.679277|9.574123|17.756264|7.802779|6.514114|7.524537|12.441307|36.858105|
|17.567082|8.773534|6.144885|4.428765|29.193102|6.029073|5.178369|5.404311|4.090568|3.355657|3.296016|3.879228|4.710507|2.840487|4.836728|2.417284|14.401900|1.805107|2.488259|2.223273|1.510414|11.052627|1.862351|1.325660|5.490615|7.384927|8.398019|4.515580|3.562210|3.649597|4.461423|6.824468|0.500000|
|17.617250|8.895503|5.504502|4.290688|31.106226|7.139067|6.914617|6.636656|4.979808|4.206733|4.269999|5.189264|4.510525|2.774678|4.820149|2.342016|14.152925|1.760670|2.405847|2.151368|1.471059|10.844937|1.815480|1.288807|4.529972|6.602018|6.026605|3.494840|2.833433|2.798530|3.261955|4.374871|0.302622|0.500000|
|17.580360|8.879021|6.827641|4.716136|29.259077|5.758108|4.711493|4.336236|3.460689|3.067326|3.187058|3.834170|5.068781|2.976926|4.941880|2.558320|14.937428|1.887078|2.628375|2.344125|1.579200|11.457998|1.941475|1.389167|6.485287|9.047166|8.743477|4.871767|3.589511|3.359391|3.817395|5.468249|0.302957|0.301863|0.500000|
|6.207988|6.225826|4.419115|3.945814|32.936854|7.055166|8.915090|17.725215|8.929877|5.648321|4.960552|5.653226|4.201415|2.733222|5.010312|2.265090|14.207565|1.730557|2.313567|2.065931|1.433698|10.788573|1.771258|1.241717|3.519956|5.188772|4.792751|2.815350|2.500755|2.653090|3.268399|4.017438|0.181476|0.187647|0.127599|0.500000|
|3.762699|3.620526|2.881184|2.718856|22.829973|4.112554|5.628211|8.931661|17.714290|8.910187|5.650494|4.958080|3.103193|2.113422|3.934503|1.812740|11.822172|1.461033|1.941774|1.761931|1.239087|9.341526|1.549686|1.087853|2.451817|3.831010|3.331078|2.094873|1.903283|1.999755|2.324746|2.675476|0.106152|0.120721|0.087465|0.215829|0.500000|
|3.022940|3.026650|2.500903|2.457431|21.264760|3.559504|4.924857|5.643365|8.907607|17.716579|8.908070|5.642522|2.869072|2.002075|3.782038|1.729467|11.506405|1.419635|1.871805|1.704053|1.207656|9.169317|1.514076|1.059781|2.132299|3.445804|2.800192|1.795217|1.636468|1.674483|1.898189|2.145533|0.080154|0.097200|0.073891|0.124189|0.214611|0.500000|
|3.120044|3.318982|2.783081|2.839868|25.852837|4.112510|5.629104|4.959679|5.650613|8.911210|17.716735|8.933966|3.307813|2.330396|4.461656|1.984863|13.209603|1.605164|2.101427|1.896811|1.343928|10.294387|1.672530|1.164536|2.314333|3.809905|2.915003|1.858499|1.683031|1.681213|1.898552|2.152046|0.078303|0.099035|0.077846|0.107652|0.124126|0.214621|0.500000|
|4.163495|4.988340|4.088214|4.338017|44.478670|7.045528|8.906058|5.651117|4.958694|5.648139|8.932266|17.721748|4.747690|3.250576|6.239684|2.626069|16.788934|1.982373|2.595370|2.290874|1.601579|12.317092|1.959580|1.358432|3.147878|5.140290|3.753631|2.309759|2.055498|2.017276|2.318198|2.691201|0.097930|0.127824|0.102559|0.124192|0.107617|0.124199|0.216014|0.500000|
|3.715361|4.791733|7.375776|9.470657|37.646230|4.297819|3.234278|2.778440|2.327497|2.200526|2.404625|2.912301|25.932540|9.295613|10.815898|7.587719|31.643524|3.744586|5.336263|4.242348|2.699646|19.828008|3.098393|2.152744|7.590941|16.426447|6.987576|4.276368|4.002742|3.493725|3.933966|4.204010|0.094381|0.088846|0.105064|0.078840|0.058996|0.054406|0.061965|0.086304|0.500000|
|2.533960|3.045141|3.878293|4.735490|26.205559|2.950364|2.433189|2.174434|1.895766|1.815882|1.957190|2.268016|9.691126|8.873925|10.946111|17.617397|56.349597|6.711589|9.583456|6.477446|3.960098|29.823149|4.231908|2.812578|3.947398|7.819051|4.503609|3.040480|3.183364|2.925895|3.158129|3.023566|0.067237|0.063390|0.070262|0.061578|0.048960|0.045886|0.051458|0.066671|0.206805|0.500000|
|2.545321|3.058049|3.836502|4.753360|26.902730|2.999454|2.482960|2.165701|1.899323|1.853554|2.039290|2.380111|9.661904|8.875517|10.966643|17.610031|56.335614|6.682653|9.467159|6.446646|3.953917|29.830740|4.219028|2.819613|3.811561|7.885926|4.198524|2.837196|2.814133|2.529162|2.702032|2.730116|0.065700|0.064561|0.071625|0.060050|0.048542|0.046810|0.054256|0.071943|0.210281|0.303464|0.500000|
|1.349562|1.483959|1.651200|1.808038|11.967656|1.482054|1.352650|1.255581|1.165789|1.154121|1.227600|1.333572|2.825701|2.316871|3.932944|2.801618|23.491265|4.577552|6.194382|8.245004|9.523419|47.940584|26.047762|9.135911|1.675026|3.207549|2.105484|1.527415|1.593622|1.506784|1.521928|1.466978|0.036289|0.035603|0.037780|0.034887|0.030786|0.030293|0.033543|0.039016|0.058711|0.078038|0.079149|0.500000|
|1.386469|1.507187|1.690973|1.815844|11.706772|1.476889|1.338157|1.241796|1.148491|1.132784|1.203780|1.312440|2.843414|2.244885|3.689589|2.728004|20.554350|3.914054|6.173009|8.963211|6.891352|30.843704|12.232821|17.550602|1.762040|3.448745|2.218916|1.645753|1.719123|1.586297|1.567843|1.516421|0.037226|0.036389|0.039383|0.034624|0.030342|0.029682|0.032803|0.038394|0.060923|0.077483|0.080620|0.202635|0.500000|
|1.267508|1.372368|1.524522|1.631785|10.663142|1.351139|1.234705|1.155757|1.074651|1.058765|1.117883|1.209906|2.520692|1.994373|3.336014|2.367635|18.271904|3.361229|4.989394|6.744219|5.772311|28.338100|12.571020|17.613513|1.578974|3.038277|2.014314|1.492236|1.571935|1.475466|1.458873|1.398173|0.034277|0.033368|0.035772|0.032296|0.028533|0.027855|0.030470|0.035161|0.053332|0.067798|0.067718|0.228612|0.298995|0.500000|
|1.401565|1.524151|1.719091|1.839852|11.765639|1.486258|1.341805|1.253754|1.155975|1.131314|1.194048|1.302608|2.889854|2.276477|3.726098|2.777506|20.770025|3.982736|6.416740|9.579474|7.068707|30.822539|12.484127|17.642546|1.805825|3.512242|2.298953|1.714442|1.830197|1.700749|1.669269|1.584823|0.037954|0.036576|0.039674|0.035219|0.030656|0.029615|0.032344|0.037817|0.062012|0.081916|0.079555|0.180898|0.301303|0.300779|0.500000|
|4.288399|3.873081|4.289049|3.391044|19.432926|3.050495|2.595059|2.543825|2.186189|1.965174|1.986244|2.243612|4.318209|2.612355|4.165393|2.447059|14.189583|1.892273|2.736686|2.489318|1.645447|11.495049|2.039715|1.490557|5.921849|9.314539|12.567693|17.520818|8.845108|6.854734|5.814633|7.115774|0.129472|0.097933|0.135873|0.077658|0.058618|0.049657|0.050450|0.061199|0.096950|0.072114|0.068131|0.039052|0.041969|0.038336|0.043596|0.500000|
|4.044324|3.955474|4.810329|3.866062|20.881203|3.128588|2.586330|2.433458|2.087635|1.918132|1.987902|2.280069|5.167908|3.036163|4.669325|2.902242|16.193093|2.178690|3.213155|2.890783|1.874654|12.950840|2.298151|1.685170|7.620589|14.558684|12.506631|17.689616|8.795399|5.506261|4.904954|5.677375|0.111728|0.092879|0.131598|0.072200|0.054999|0.048330|0.050975|0.063824|0.123699|0.085894|0.082986|0.043698|0.047869|0.042884|0.049387|0.301849|0.500000|
|2.926532|2.906554|3.382299|2.959398|16.894751|2.452961|2.105349|2.048014|1.795352|1.642778|1.670280|1.868151|4.104940|2.583374|4.052011|2.562478|14.894145|2.059540|3.056293|2.815669|1.833287|12.485390|2.277462|1.684635|4.494058|8.056897|7.625111|8.859824|17.535416|8.797348|5.497106|4.886806|0.085494|0.070043|0.087424|0.061570|0.048313|0.041981|0.043054|0.051678|0.094329|0.078915|0.070960|0.043022|0.047090|0.043147|0.050246|0.214387|0.211032|0.500000|
|3.195105|3.389287|4.263520|3.797343|20.387979|2.848155|2.360000|2.246203|1.934994|1.772071|1.824550|2.078468|5.496842|3.349788|5.070633|3.325351|18.380241|2.504148|3.739926|3.334467|2.136603|14.669654|2.595304|1.892126|5.996274|11.056564|9.402486|8.897297|17.535070|8.813774|6.744696|5.691397|0.091307|0.075156|0.093682|0.067350|0.051404|0.044862|0.046868|0.058010|0.131088|0.106054|0.090640|0.048683|0.052727|0.047846|0.056554|0.174045|0.215254|0.302614|0.500000|
|3.230247|3.122124|3.423747|2.934747|17.478213|2.634010|2.296440|2.323166|2.024037|1.801108|1.787083|1.983186|3.840476|2.436155|3.958757|2.308985|13.795351|1.847114|2.649432|2.427668|1.620407|11.363475|2.020044|1.469242|4.167958|6.581097|7.780603|6.787935|8.852880|17.493403|8.855803|6.737340|0.101455|0.076916|0.091661|0.072391|0.055416|0.045953|0.045418|0.053476|0.083229|0.069895|0.062047|0.038602|0.040674|0.037997|0.043357|0.201019|0.139427|0.215835|0.173490|0.500000|
|2.815087|2.891103|3.308812|2.992243|17.570400|2.513059|2.170639|2.159103|1.885958|1.698664|1.702968|1.895981|4.107711|2.658109|4.270304|2.581485|15.378541|2.079568|3.004787|2.744199|1.819137|12.692774|2.255348|1.635923|3.980351|6.560293|6.683346|5.505597|8.796437|17.547087|8.815604|5.487955|0.085096|0.067781|0.078838|0.066333|0.051287|0.043395|0.043559|0.051693|0.089468|0.080722|0.068193|0.042744|0.044875|0.042109|0.048794|0.139803|0.123153|0.209203|0.214074|0.303363|0.500000|
|3.622389|3.749818|4.070504|3.563926|21.657298|3.238305|2.782065|2.860580|2.424516|2.104848|2.071705|2.324253|4.498738|2.864719|4.764774|2.590696|15.548073|1.999969|2.791241|2.504489|1.690608|12.220317|2.084419|1.483646|4.426046|6.526048|7.642479|4.914716|5.495762|8.793611|17.531603|8.867847|0.116487|0.085669|0.094931|0.092326|0.066329|0.053034|0.051821|0.061710|0.092361|0.078076|0.067087|0.040028|0.040752|0.038318|0.043463|0.130325|0.108002|0.123140|0.138264|0.215805|0.209673|0.500000|
|3.705967|4.163590|5.113164|4.596841|25.390988|3.554312|2.893295|2.820783|2.359504|2.093760|2.121314|2.437429|6.091144|3.734049|5.936188|3.362107|19.142115|2.436541|3.432909|3.004256|1.992704|14.398725|2.412274|1.707161|5.879792|8.674354|9.398235|5.710270|6.750101|8.833179|17.515873|8.885288|0.111332|0.086031|0.099088|0.088051|0.062888|0.052364|0.053362|0.066283|0.127608|0.104748|0.085534|0.045911|0.046911|0.043566|0.050250|0.133180|0.127642|0.138415|0.196453|0.173701|0.215201|0.302734|0.500000|
|6.619073|7.303809|7.613568|5.544368|32.154359|5.413766|4.189455|4.173765|3.242839|2.742938|2.745087|3.244222|6.018724|3.520677|5.839997|2.955559|17.084955|2.119050|2.929226|2.575156|1.733162|12.709767|2.112519|1.493844|7.278142|8.933318|12.404073|5.657186|4.889619|5.501290|8.846958|17.681716|0.221947|0.138661|0.158629|0.139574|0.085190|0.066667|0.066735|0.085102|0.119957|0.085292|0.077442|0.040784|0.041542|0.038371|0.043208|0.144876|0.127416|0.107655|0.127716|0.138910|0.123467|0.212719|0.217150|0.500000|
|5.686354|5.047233|5.087954|3.884514|23.253200|3.883162|3.287516|3.384854|2.793826|2.391114|2.353876|2.676524|4.575897|2.773141|4.575214|2.463760|14.520392|1.866489|2.620597|2.354494|1.582950|11.381846|1.954928|1.402349|5.830968|7.864720|12.504369|7.050646|5.728740|6.759732|8.828890|17.537430|0.206857|0.123941|0.153162|0.110946|0.075639|0.059483|0.058174|0.070427|0.095819|0.071789|0.066156|0.037707|0.039094|0.036204|0.040733|0.213447|0.144685|0.128537|0.132021|0.197413|0.138682|0.215376|0.173944|0.302777|0.500000|
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