Version2.1
2020-12-17T03:53:47Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
18-Nov-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE c1ccc2c(c1)c(=O)[nH]c(n2)CCCC(=O)Nc3nc(cs3)c4ccc5c(c4)CCC(=O)N5 C09782849
RHF
6-31G(d)
(6D,7F)
c1ccc2c(c1)c(=O)[nH]c(n2)CCCC(=O)Nc3nc(cs3)c4ccc5c(c4)CCC(=O)N5
C01[X(C24H21N5O3S1)]
156
C1
541
O=C(Nc1scc(n1)c1ccc2c(c1)CCC(=O)N2)CCCc1nc2ccccc2c(=O)[nH]1
O=C(Nc1scc(n1)c1ccc2c(c1)CCC(=O)N2)CCCc1nc2ccccc2c(=O)[nH]1
O=C(CCCC1=Nc2ccccc2C(=O)N1)Nc3scc(n3)c4ccc5NC(=O)CCc5c4
InChIKey=GHFRXZDSWNKPGU-UHFFFAOYSA-N
InChI=1S/C24H21N5O3S/c30-21(7-3-6-20-25-18-5-2-1-4-16(18)23(32)28-20)29-24-27-19(13-33-24)15-8-10-17-14(12-15)9-11-22(31)26-17/h1-2,4-5,8,10,12-13H,3,6-7,9,11H2,(H,26,31)(H,25,28,32)(H,27,29,30)
InChI=1/C24H21N5O3S/c30-21(7-3-6-20-25-18-5-2-1-4-16(18)23(32)28-20)29-24-27-19(13-33-24)15-8-10-17-14(12-15)9-11-22(31)26-17/h1-2,4-5,8,10,12-13H,3,6-7,9,11H2,(H,26,31)(H,25,28,32)(H,27,29,30)/f/h26,28-29H
c1ccc2c(c1)c(=O)[nH]c(n2)CCCC(=O)Nc3nc(cs3)c4ccc5c(c4)CCC(=O)N5
C01[X(C24H21N5O3S1)]
156
C01
541
O=C(Nc1scc(n1)c1ccc2c(c1)CCC(=O)N2)CCCc1nc2ccccc2c(=O)[nH]1
O=C(N[C]1SC=[C]([N]=1)[C]1[CH][CH][C]2[C]([CH]1)CCC(=O)N2)CCCC1=N[C]2[C]([CH][CH][CH][CH]2)C(=O)N1
O=C1CC[C]2[CH][C]([CH][CH][C]2N1)c3csc(NC(=O)CCCC4=N[C]5[CH][CH][CH][CH][C]5C(=O)N4)n3
InChIKey=GHFRXZDSWNKPGU-UHFFFAOYSA-N
InChI=1S/C24H21N5O3S/c30-21(7-3-6-20-25-18-5-2-1-4-16(18)23(32)28-20)29-24-27-19(13-33-24)15-8-10-17-14(12-15)9-11-22(31)26-17/h1-2,4-5,8,10,12-13H,3,6-7,9,11H2,(H,26,31)(H,25,28,32)(H,27,29,30)
InChI=1/C24H21N5O3S/c30-21(7-3-6-20-25-18-5-2-1-4-16(18)23(32)28-20)29-24-27-19(13-33-24)15-8-10-17-14(12-15)9-11-22(31)26-17/h1-2,4-5,8,10,12-13H,3,6-7,9,11H2,(H,26,31)(H,25,28,32)(H,27,29,30)/f/h26,28-29H
2984.0897959627
-1815.5267944
1-A
39830.9741
120
421
541
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
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10.33915
1.2756 -0.3112 -0.1848
1.3260
|XX|YY|ZZ|XY|XZ|YZ|
-273.3143 -190.6079 -199.9494 -3.1480 3.5307 -1.9308
|XX|YY|ZZ|XY|XZ|YZ|
-52.0238 30.6827 21.3411 -3.1480 3.5307 -1.9308
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
670.2112 28.7096 -0.3789 -88.1729 517.0358 4.0338 -16.8823 -16.8103 5.0186 22.2837
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-62678.6905 -3001.0733 -331.2085 -192.6962 871.7709 251.3173 2.8431 -72.4701 -0.0340 -9389.0069 -8719.6256 -583.9503 -147.1625 50.0632 -1.1328
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459.13651
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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
3.0688 12.9199 18.5543 23.3238 38.4215 48.4048 55.3624 67.4940 78.3634 105.8678 113.3654 118.9517 132.0045 140.3557 150.8230 171.3533 178.3571 201.5993 205.7959 247.8932 271.1196 292.6153 313.9550 316.1159 329.5761 367.7015 379.8141 397.4342 426.6963 452.2679 477.8819 493.8891 514.3850 517.3406 530.9193 548.2065 562.6686 568.4270 576.4692 584.8421 617.1137 617.8317 644.6615 655.1271 661.8682 662.2450 679.8569 682.9653 704.2073 709.8864 745.6896 760.0889 766.5231 778.2515 795.8358 806.3873 810.9727 818.0405 834.0485 846.3739 862.7569 867.8930 874.1550 898.8208 927.7822 941.1465 950.6118 969.4378 981.2149 1000.2917 1002.1855 1028.9115 1048.6628 1070.3016 1074.0473 1087.5495 1102.3844 1106.6317 1124.0248 1132.3119 1142.0299 1144.3251 1153.6411 1187.6329 1193.6753 1208.3578 1225.4845 1234.5088 1249.4828 1262.3444 1271.5208 1289.5662 1291.0772 1295.6358 1297.6828 1336.1467 1346.6153 1362.1137 1369.8639 1372.8405 1401.7901 1414.0307 1425.1151 1428.9451 1435.8017 1447.7513 1451.4165 1454.8210 1465.7312 1491.5441 1518.3022 1535.9255 1559.9559 1578.2199 1610.3905 1612.9204 1613.4518 1624.0619 1630.8844 1634.4413 1635.6821 1638.4015 1642.7767 1665.7379 1680.8406 1742.7086 1762.7863 1768.1308 1795.1445 1816.3404 1824.5933 1875.1280 1973.2185 1987.9736 1988.5592 3185.2188 3192.0225 3195.4350 3212.7569 3214.6517 3226.7948 3262.0192 3272.2181 3301.4324 3319.0188 3358.6950 3366.1994 3384.3339 3385.6893 3397.2840 3401.4130 3408.2381 3456.4358 3850.6129 3855.6411 3861.9304
6.4860 5.2581 7.1560 4.9324 8.4607 6.8443 5.6532 9.6035 1.7339 7.9445 4.8674 6.6438 3.4741 8.0840 2.8448 4.7236 4.3807 4.9214 7.0484 9.1136 3.4016 6.4135 5.3365 7.0587 4.7754 5.7309 7.1024 5.6655 5.1351 2.8531 3.2774 3.9297 5.8520 5.1219 6.0947 6.8928 2.5952 2.2468 2.9923 1.7462 7.4408 2.6520 1.8719 2.6597 6.2630 1.7326 3.4803 5.0913 4.0021 1.7660 6.2208 4.5079 6.2316 3.7136 2.6449 3.6804 4.7972 1.3965 4.5188 3.3055 2.0475 2.9063 1.5865 3.6452 2.2214 2.1771 1.6348 6.3734 3.9140 1.5213 3.3690 3.6892 1.4406 4.0196 1.3773 2.5385 4.4659 1.3565 2.7311 1.3363 3.5026 2.5915 2.1756 2.2170 2.0114 2.8202 1.8854 2.7479 2.1811 2.5279 2.0176 1.2207 1.6832 1.7641 1.3232 1.5311 2.0199 1.9590 1.9942 2.0444 2.6393 1.6787 3.4370 1.1841 2.1593 2.0909 2.4294 1.0582 3.3019 1.7355 2.1280 1.6026 2.3526 1.6485 1.8839 1.0925 1.1559 1.1888 2.0553 1.3164 1.2377 2.4505 2.0031 2.5408 2.9651 5.0163 5.4086 6.4665 6.1008 5.8189 5.8449 8.7399 9.2687 10.2475 9.1454 1.0609 1.0722 1.0614 1.0693 1.1026 1.1025 1.0952 1.0618 1.0958 1.1066 1.0901 1.0887 1.0927 1.0946 1.0917 1.0955 1.0961 1.0958 1.0790 1.0780 1.0785
0.0000 0.0005 0.0015 0.0016 0.0074 0.0094 0.0102 0.0258 0.0063 0.0525 0.0369 0.0554 0.0357 0.0938 0.0381 0.0817 0.0821 0.1178 0.1759 0.3300 0.1473 0.3235 0.3099 0.4156 0.3056 0.4565 0.6037 0.5273 0.5509 0.3438 0.4410 0.5648 0.9123 0.8077 1.0122 1.2205 0.4841 0.4277 0.5859 0.3519 1.6695 0.5964 0.4584 0.6726 1.6165 0.4477 0.9478 1.3992 1.1693 0.5243 2.0380 1.5345 2.1573 1.3252 0.9870 1.4100 1.8589 0.5506 1.8520 1.3951 0.8979 1.2898 0.7143 1.7351 1.1266 1.1362 0.8704 3.5291 2.2203 0.8968 1.9936 2.3011 0.9334 2.7130 0.9361 1.7690 3.1976 0.9788 2.0330 1.0094 2.6915 1.9994 1.7060 1.8424 1.6886 2.4262 1.6683 2.4674 2.0063 2.3733 1.9219 1.1960 1.6531 1.7448 1.3128 1.6105 2.1581 2.1415 2.2048 2.2701 3.0557 1.9777 4.1127 1.4245 2.6227 2.5822 3.0153 1.3195 4.1795 2.2749 2.8902 2.2275 3.3730 2.4193 2.8786 1.6745 1.7729 1.8475 3.2208 2.0719 1.9510 3.8756 3.1851 4.1536 4.9356 8.9760 9.9022 11.9109 11.5834 11.3106 11.4647 18.1059 21.2627 23.8611 21.3074 6.3416 6.4368 6.3855 6.5028 6.7135 6.7633 6.8663 6.6986 7.0369 7.1821 7.2455 7.2685 7.3737 7.3929 7.4238 7.4678 7.5017 7.7133 9.4259 9.4420 9.4774
0.0316 0.3872 0.5204 0.5456 1.6166 0.7045 0.8636 0.3762 3.0572 3.1616 8.0283 0.8926 0.6556 1.3530 1.5679 1.1071 2.5643 1.6339 13.6706 1.7647 0.3575 3.9288 0.9312 7.9437 1.2058 7.1620 1.7940 1.0751 30.7530 4.5857 2.7658 11.4405 2.6264 1.6321 15.0837 0.4522 43.9705 7.2922 9.9005 46.9960 6.2385 41.1947 9.5052 3.0583 17.5649 29.9587 49.7867 30.9081 20.6715 22.3995 2.6562 3.0401 8.8207 12.2813 82.7140 10.5625 10.1322 0.3736 5.2623 26.0588 30.3229 35.1415 77.2977 9.1807 19.1721 14.5668 0.1722 6.7300 3.1981 5.2543 18.0715 0.7077 9.7749 13.3715 0.6682 5.5320 6.6985 1.6518 30.6880 0.2765 27.0440 4.1929 4.3441 32.4156 2.9443 5.3451 20.0437 12.1567 2.6077 95.0842 197.3962 0.1281 11.6942 20.0080 8.9515 86.3824 17.1800 18.2848 97.6826 33.0272 24.6842 17.1611 109.2404 0.4062 177.0948 149.2072 84.6348 0.0044 292.4787 98.3165 114.1504 31.7321 6.8371 0.9678 42.9367 6.9052 10.5195 3.8098 210.1548 28.8432 9.8683 47.5386 52.7964 71.0643 81.8803 433.4671 500.3856 11.0920 43.0164 96.7740 71.3182 411.6786 743.5764 393.1032 606.0978 14.6289 25.4019 28.0200 19.9358 16.5108 18.4785 25.4873 7.0851 20.1162 15.4473 20.2318 6.9448 20.9730 14.4517 2.5987 9.2527 9.1780 4.5668 74.9788 55.5578 57.0499
1.3218 1.1591 0.4693 4.7046 1.5440 1.2384 3.6861 0.3556 0.5666 0.3274 0.6725 1.1458 0.7927 1.2372 1.3541 1.5085 0.5185 0.6423 0.6627 0.6040 2.2635 2.9572 0.8153 0.9404 1.3346 1.2924 1.3988 4.0761 2.5115 1.4661 0.8532 1.1135 2.2671 3.5225 0.4656 4.7107 1.3524 2.0291 0.1823 5.9874 4.7015 1.9921 1.2538 4.0215 1.4103 4.4241 2.7626 4.3958 2.3457 0.3729 8.1455 7.5228 5.9914 6.3950 1.1454 19.6283 0.9089 0.4905 4.1818 7.8975 11.9671 1.2672 0.0294 0.5849 1.4527 3.3552 0.4388 5.0918 1.1418 3.1779 5.1582 3.1952 3.3635 5.5924 3.0018 12.1043 2.4211 0.1281 21.9376 0.4721 4.0777 15.9807 4.6736 6.5131 0.2835 3.1490 2.5982 4.3488 9.8960 31.5720 3.5093 3.2553 9.8057 3.5460 7.6470 21.5819 2.4629 94.4316 42.1339 1.6220 81.0231 8.4100 60.5335 0.2480 13.2034 13.8623 7.7196 31.1011 74.0064 63.6235 11.9450 14.1001 6.5508 4.6609 14.4692 15.0035 6.0558 17.4281 92.5942 22.6208 15.0458 4.5751 37.1488 6.9410 21.5560 212.1104 124.9205 41.8261 59.1602 67.5269 753.6312 124.6777 26.4236 9.7573 57.7992 70.9628 135.1651 122.1868 51.4964 62.6233 60.4570 61.5245 41.0387 140.2525 14.2454 83.8762 73.8584 144.4386 77.1051 55.5149 76.1287 166.4314 71.1119 69.0150 106.9327 49.6936
0.7500 0.7443 0.7403 0.7429 0.7368 0.7066 0.7453 0.6489 0.7395 0.7493 0.7395 0.5813 0.7015 0.0751 0.6975 0.7500 0.7491 0.7337 0.7087 0.7278 0.4959 0.1473 0.7251 0.5442 0.7499 0.3760 0.4846 0.7416 0.7482 0.5893 0.7500 0.7196 0.4862 0.6619 0.7030 0.2790 0.7311 0.7407 0.7500 0.4151 0.2323 0.2008 0.4140 0.1639 0.2609 0.7495 0.7124 0.6772 0.6951 0.7500 0.1329 0.0706 0.3248 0.3409 0.7483 0.1451 0.6929 0.6589 0.1355 0.1717 0.4979 0.3175 0.7499 0.7500 0.7166 0.5565 0.7495 0.6021 0.4265 0.7500 0.2092 0.3731 0.7274 0.2322 0.6995 0.1797 0.3928 0.7500 0.1329 0.7500 0.4519 0.3911 0.2383 0.4619 0.7491 0.5459 0.6977 0.4334 0.6720 0.3247 0.2389 0.7500 0.3257 0.3990 0.4217 0.1082 0.7491 0.2754 0.2389 0.6579 0.1888 0.7344 0.2202 0.7500 0.2632 0.5294 0.3196 0.7500 0.6136 0.4598 0.3039 0.1783 0.4891 0.5069 0.2922 0.7497 0.7077 0.7115 0.2221 0.2651 0.6985 0.7379 0.3297 0.7475 0.1876 0.1841 0.5219 0.5164 0.4017 0.5422 0.3750 0.2411 0.1573 0.2364 0.3337 0.0955 0.1810 0.0453 0.2436 0.7499 0.7499 0.4255 0.0856 0.4000 0.7500 0.4299 0.7170 0.4159 0.1835 0.2636 0.1770 0.1583 0.3897 0.2639 0.1959 0.1438
0.8571 0.8534 0.8508 0.8525 0.8485 0.8281 0.8541 0.7871 0.8503 0.8567 0.8502 0.7352 0.8246 0.1396 0.8218 0.8571 0.8566 0.8464 0.8295 0.8424 0.6630 0.2568 0.8407 0.7048 0.8571 0.5465 0.6528 0.8516 0.8560 0.7416 0.8571 0.8369 0.6542 0.7966 0.8256 0.4363 0.8447 0.8510 0.8571 0.5866 0.3770 0.3344 0.5856 0.2816 0.4138 0.8568 0.8321 0.8075 0.8201 0.8571 0.2347 0.1319 0.4903 0.5085 0.8561 0.2535 0.8186 0.7944 0.2387 0.2930 0.6648 0.4820 0.8570 0.8571 0.8349 0.7151 0.8568 0.7516 0.5980 0.8571 0.3459 0.5435 0.8422 0.3768 0.8232 0.3047 0.5641 0.8571 0.2347 0.8571 0.6225 0.5622 0.3849 0.6319 0.8565 0.7062 0.8219 0.6047 0.8039 0.4902 0.3856 0.8571 0.4913 0.5704 0.5932 0.1952 0.8565 0.4319 0.3857 0.7937 0.3176 0.8468 0.3609 0.8571 0.4168 0.6923 0.4843 0.8571 0.7605 0.6300 0.4662 0.3027 0.6569 0.6728 0.4523 0.8570 0.8288 0.8315 0.3635 0.4191 0.8225 0.8492 0.4959 0.8555 0.3159 0.3109 0.6858 0.6811 0.5732 0.7032 0.5454 0.3885 0.2718 0.3823 0.5004 0.1744 0.3065 0.0866 0.3918 0.8571 0.8571 0.5970 0.1578 0.5714 0.8571 0.6013 0.8352 0.5875 0.3100 0.4173 0.3008 0.2733 0.5609 0.4176 0.3276 0.2514
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
6 6 6 6 6 6 6 8 7 1 6 7 6 6 6 6 8 7 6 7 6 6 16 6 6 6 6 6 6 6 6 6 8 7 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 12.00000 12.00000 12.00000 15.99491 14.00307 1.00783 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 14.00307 12.00000 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 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 1.00783
4224.9266 70792.4909 74714.9424
1.00000 0.00268 -0.00019 -0.00268 0.99999 -0.00385 0.00018 0.00386 0.99999
1
0.02050 0.00122 0.00116
0.42717 0.02549 0.02416
4.42 18.59 26.70 33.56 55.28 69.64 79.65 97.11 112.75 152.32 163.11 171.14 189.92 201.94 217.00 246.54 256.62 290.06 296.09 356.66 390.08 421.01 451.71 454.82 474.19 529.04 546.47 571.82 613.92 650.71 687.57 710.60 740.09 744.34 763.87 788.75 809.55 817.84 829.41 841.46 887.89 888.92 927.52 942.58 952.28 952.82 978.16 982.63 1013.20 1021.37 1072.88 1093.60 1102.86 1119.73 1145.03 1160.21 1166.81 1176.98 1200.01 1217.74 1241.31 1248.70 1257.71 1293.20 1334.87 1354.10 1367.72 1394.80 1411.75 1439.20 1441.92 1480.37 1508.79 1539.93 1545.31 1564.74 1586.09 1592.20 1617.22 1629.14 1643.13 1646.43 1659.83 1708.74 1717.43 1738.56 1763.20 1776.18 1797.73 1816.23 1829.43 1855.40 1857.57 1864.13 1867.08 1922.42 1937.48 1959.78 1970.93 1975.21 2016.86 2034.47 2050.42 2055.93 2065.80 2082.99 2088.26 2093.16 2108.86 2146.00 2184.50 2209.85 2244.43 2270.71 2316.99 2320.63 2321.40 2336.66 2346.48 2351.60 2353.38 2357.29 2363.59 2396.63 2418.35 2507.37 2536.26 2543.95 2582.81 2613.31 2625.18 2697.89 2839.02 2860.25 2861.09 4582.82 4592.61 4597.52 4622.44 4625.17 4642.64 4693.32 4707.99 4750.02 4775.33 4832.41 4843.21 4869.30 4871.25 4887.93 4893.87 4903.69 4973.04 5540.17 5547.41 5556.46
0.453719
0.480053
0.480997
0.390048
-1815.073075
-1815.046742
-1815.045797
-1815.136746
3.050444D-04
MUNgauss
RevisionA2.0
retrievium
17-Dec-2020
DUDE c1ccc2c(c1)c(=O)[nH]c(n2)CCCC(=O)Nc3nc(cs3)c4ccc5c(c4)CCC(=O)N5 C09782849
RHF
6-31G(d)
(6D,10F)
C1
459.136512
|X|Y|Z|
192.955465 48.497548 15.720936
52.790012
30
|36.858105|
|13.616555|36.858105|
|7.892237|13.863089|36.858105|
|6.822673|7.937592|13.623818|36.858105|
|7.948601|6.906046|7.919380|13.662405|36.858105|
|13.876214|7.952601|6.841178|7.852877|13.638875|36.858105|
|5.092444|4.509645|5.090427|7.736467|12.995386|7.665438|36.858105|
|4.468032|3.783366|3.986951|5.305096|8.001485|6.580629|15.900493|73.516695|
|3.996880|3.874740|4.680301|7.129006|8.034750|5.190168|13.792644|15.083466|53.358707|
|3.364131|3.231077|3.759283|5.191324|5.819308|4.250579|9.430412|13.962086|25.990655|0.500000|
|3.868599|4.073309|5.380032|8.363243|6.962276|4.610806|7.814479|9.634284|18.899715|0.256697|36.858105|
|4.555241|5.210590|7.949812|13.702664|7.800420|5.130609|6.680574|8.370396|11.169994|0.165061|15.049370|53.358707|
|2.970205|3.143012|3.949879|5.154407|4.492284|3.379407|5.078724|7.254980|10.672881|0.206842|12.631600|10.684712|36.858105|
|2.723855|3.002492|3.816610|4.530600|3.718452|2.942681|3.824816|5.630257|6.857186|0.130235|7.482423|9.209310|12.477678|36.858105|
|2.238447|2.420727|2.925219|3.331235|2.901342|2.399646|3.047724|4.715588|5.244008|0.106304|4.906338|5.990427|7.574079|12.476352|36.858105|
|2.041079|2.239233|2.670403|2.890792|2.500110|2.130644|2.537480|3.977609|4.135541|0.082521|3.752137|4.955445|4.912496|7.521771|12.560566|36.858105|
|2.113912|2.367394|2.846059|2.986943|2.522780|2.166469|2.483865|3.866121|3.957339|0.077093|3.630819|5.074575|4.416554|6.797194|7.945368|15.954139|73.516695|
|1.784835|1.929768|2.241806|2.407690|2.143686|1.862008|2.199430|3.526171|3.520089|0.071723|3.040932|3.965102|3.858516|5.061631|7.863666|13.906397|15.089789|53.358707|
|1.623388|1.757979|2.011348|2.111802|1.890495|1.672466|1.915395|3.100589|2.987737|0.060588|2.531767|3.377034|3.044320|3.820674|5.068410|7.747393|11.967148|18.769025|36.858105|
|1.474224|1.579414|1.781737|1.871172|1.703594|1.521585|1.739273|2.851899|2.688474|0.055102|2.224579|2.940372|2.640044|3.143123|4.050289|5.304296|8.269114|11.273588|14.930137|53.358707|
|1.372425|1.472826|1.645021|1.702193|1.552834|1.403462|1.569550|2.584981|2.387658|0.048649|1.960032|2.629577|2.258897|2.652417|3.216776|4.093197|6.929027|7.403454|8.674273|18.733880|36.858105|
|1.412365|1.530485|1.712337|1.748795|1.579152|1.431162|1.575135|2.579627|2.381726|0.047991|1.972776|2.694219|2.240848|2.676233|3.143195|4.120131|7.495834|6.875009|7.931433|11.307714|14.178611|36.858105|
|1.618903|1.777903|2.027261|2.070550|1.831590|1.638911|1.812606|2.924569|2.772327|0.055251|2.358386|3.257989|2.712384|3.418781|4.047768|5.959195|11.861747|9.393973|10.992580|10.129515|7.486541|10.985568|388.023441|
|1.245161|1.324746|1.463053|1.513630|1.398471|1.274465|1.420028|2.362405|2.141696|0.043912|1.728438|2.307360|1.968313|2.239154|2.658336|3.171543|5.344544|5.450459|5.342026|10.528303|12.876899|7.539250|33.882982|36.858105|
|1.166303|1.240583|1.359511|1.394284|1.291598|1.186875|1.303819|2.176436|1.946117|0.039765|1.561655|2.101334|1.748361|1.970894|2.272424|2.667533|4.621008|4.346954|4.062960|6.966676|7.601860|6.262508|28.647799|13.700632|36.858105|
|1.079670|1.141395|1.241830|1.274219|1.190284|1.099708|1.205221|2.025323|1.788721|0.036685|1.420273|1.904939|1.578435|1.748233|1.992869|2.270918|3.915474|3.624877|3.207559|5.332292|5.045931|4.317689|22.219090|7.895900|13.791757|36.858105|
|1.058557|1.112825|1.209312|1.248946|1.173883|1.083719|1.197242|2.020480|1.779858|0.036731|1.403982|1.867325|1.566479|1.715165|1.966772|2.198404|3.724264|3.528606|3.032151|5.109593|4.461310|3.666996|20.002949|6.825856|7.948148|13.739223|36.858105|
|1.115468|1.171156|1.279052|1.331261|1.251381|1.148266|1.284515|2.165532|1.924571|0.039906|1.520209|2.005417|1.717486|1.881245|2.199039|2.452151|4.065473|4.041102|3.458645|6.106278|5.049537|3.864800|21.494327|7.857559|6.863442|7.911107|13.682942|36.858105|
|1.211500|1.278888|1.408552|1.469491|1.370100|1.248101|1.405003|2.351586|2.123199|0.043924|1.696383|2.237589|1.941550|2.166215|2.590911|2.974102|4.873814|5.121538|4.614547|9.030986|7.648311|5.096815|27.192715|13.684434|7.983878|6.907195|7.968872|13.778976|36.858105|
|1.075755|1.121486|1.219985|1.276560|1.210503|1.112597|1.251806|2.124523|1.872961|0.039109|1.463758|1.915649|1.651405|1.775676|2.065485|2.233358|3.667221|3.617605|2.942278|4.971226|3.783578|3.037532|18.067323|4.977304|4.445773|5.049971|7.659002|12.608542|7.484085|36.858105|
|0.998816|1.039169|1.123002|1.168954|1.112543|1.029591|1.146642|1.953692|1.700898|0.035440|1.321871|1.738524|1.471994|1.571940|1.792442|1.925063|3.210825|3.034277|2.448105|3.967832|3.082127|2.606375|15.644609|3.914342|3.795305|4.559428|6.748771|7.619628|5.086811|12.452866|36.858105|
|0.954883|0.994821|1.071577|1.108992|1.054609|0.980077|1.081308|1.842505|1.595639|0.033114|1.240407|1.641570|1.370505|1.466638|1.654993|1.787450|3.019972|2.787039|2.269539|3.632069|2.910283|2.521520|14.935761|3.735426|3.935105|5.167519|7.750934|6.576712|4.461498|7.534370|12.586556|36.858105|
|0.901103|0.936376|1.004084|1.037225|0.990013|0.923934|1.014519|1.734567|1.489597|0.030914|1.152337|1.526794|1.264294|1.343967|1.501061|1.607471|2.729436|2.470628|1.987313|3.112506|2.469247|2.192105|13.235486|3.044659|3.234792|4.104792|5.383959|4.659928|3.486756|5.285540|7.960856|15.923264|73.516695|
|0.984181|1.029951|1.112206|1.147390|1.085288|1.007317|1.108009|1.880129|1.637065|0.033842|1.280689|1.702516|1.416652|1.531572|1.732594|1.900569|3.231028|2.983307|2.485765|4.026864|3.359842|2.897809|16.582885|4.545688|5.174685|7.867119|13.607476|7.910660|5.195051|6.844393|7.843638|13.939861|15.134637|53.358707|
|17.728586|8.865934|5.632621|4.926761|5.643974|8.948731|4.131006|6.847553|4.518764|0.080268|3.185389|4.932948|2.548103|2.361421|1.987569|1.832777|3.371565|2.208968|1.489962|1.854703|1.276601|1.313613|10.603286|1.165291|1.096828|1.019501|0.999816|1.049945|1.134756|1.014354|0.945817|0.906408|1.524952|1.270005|0.500000|
|8.886241|17.713615|8.980305|5.647327|4.968841|5.659669|3.594528|5.556808|4.349660|0.076166|3.387722|5.741889|2.744007|2.697449|2.223057|2.102029|3.992869|2.485426|1.685044|2.065141|1.427651|1.493024|12.285290|1.286459|1.211779|1.115715|1.083973|1.135201|1.236822|1.084247|1.008226|0.968764|1.623497|1.367352|0.214544|0.500000|
|5.610764|8.895728|17.743777|8.939534|5.650517|4.937627|4.149055|5.944848|5.555790|0.093799|4.949387|10.015754|3.892064|4.030020|3.074148|2.884046|5.625700|3.251513|2.154781|2.569819|1.749069|1.841056|15.727611|1.542280|1.433815|1.301877|1.260483|1.330641|1.472451|1.260276|1.158564|1.107503|1.840901|1.571409|0.123650|0.214598|0.500000|
|8.904004|5.633987|4.937992|5.625556|8.939102|17.745135|7.123501|12.991815|6.440827|0.113322|3.994039|5.673853|3.053896|2.633715|2.203477|1.955337|3.498815|2.358273|1.561354|1.950493|1.323480|1.342167|10.814422|1.210324|1.128888|1.051070|1.039508|1.101288|1.191258|1.072486|0.994883|0.946762|1.590457|1.320207|0.213600|0.123943|0.107309|0.500000|
|2.762689|2.869032|3.491946|4.449752|4.087679|3.157971|4.779706|7.118587|9.749899|0.208990|9.016480|8.309219|17.497239|8.811844|6.927976|4.570817|7.141895|5.108533|2.968451|3.559706|2.230055|2.187374|18.518869|1.959425|1.741721|1.578286|1.571624|1.725166|1.943278|1.665923|1.478543|1.378308|2.262017|1.938388|0.066674|0.070116|0.094787|0.080920|0.500000|
|2.762895|2.869385|3.492538|4.450419|4.087841|3.158081|4.779219|7.117535|9.747361|0.208866|9.016894|8.311316|17.497023|8.811458|6.929079|4.570287|7.136859|5.110798|2.968692|3.561139|2.229697|2.186271|18.502434|1.959606|1.732020|1.571878|1.573118|1.736462|1.958138|1.685137|1.503673|1.388766|2.277073|1.940626|0.066678|0.070125|0.094806|0.080920|0.304124|0.500000|
|2.811045|3.159346|4.072365|4.694207|3.740391|2.985738|3.707053|5.441806|6.371003|0.118115|6.840148|9.434288|8.856707|17.617592|8.858884|6.891707|12.331243|6.412299|3.705137|4.133136|2.607572|2.674278|24.532974|2.196979|1.942277|1.721838|1.683692|1.839061|2.114604|1.731371|1.544997|1.441706|2.350990|2.047934|0.067535|0.079257|0.122609|0.073483|0.173301|0.210539|0.500000|
|2.810414|3.158290|4.070421|4.692266|3.739675|2.985245|3.706902|5.441917|6.371142|0.118134|6.838606|9.427794|8.856626|17.618124|8.859238|6.894705|12.357420|6.408910|3.705088|4.131364|2.608355|2.676443|24.572378|2.196896|1.956022|1.730322|1.681985|1.825886|2.096224|1.710819|1.518052|1.430181|2.334674|2.045449|0.067522|0.079230|0.122531|0.073476|0.210584|0.173296|0.306088|0.500000|
|2.140077|2.283378|2.716938|3.105719|2.773520|2.309517|2.967294|4.660139|5.097660|0.106051|4.560808|5.434723|6.903166|8.788432|17.506488|8.979147|10.991051|9.761619|4.781530|5.433544|3.152879|3.015984|26.556800|2.649033|2.266944|1.999543|1.983732|2.223582|2.606798|2.101113|1.809428|1.673332|2.699296|2.383952|0.053072|0.058254|0.078189|0.059515|0.207847|0.171622|0.173110|0.210251|0.500000|
|2.140297|2.283759|2.717508|3.106163|2.773631|2.309628|2.967053|4.659550|5.096832|0.106017|4.560692|5.435722|6.901520|8.788308|17.506963|8.976503|10.976091|9.776867|4.782777|5.438527|3.151957|3.013361|26.512475|2.649474|2.245698|1.986552|1.986690|2.247828|2.642896|2.139917|1.856000|1.692085|2.724894|2.388050|0.053076|0.058265|0.078212|0.059516|0.171524|0.207826|0.210282|0.173114|0.303883|0.500000|
|1.726669|1.843510|2.125190|2.310759|2.093336|1.818459|2.185911|3.538191|3.518169|0.073019|2.977048|3.782827|3.836126|4.716068|7.506198|9.262392|10.835451|26.015631|9.528169|10.713319|5.038192|4.380817|37.430454|3.953632|3.115453|2.651447|2.646425|3.102468|3.924159|2.839681|2.343254|2.120995|3.333397|3.056822|0.043712|0.048244|0.061981|0.047381|0.106370|0.106438|0.118944|0.118871|0.210246|0.210701|0.500000|
|1.345497|1.458727|1.618835|1.637278|1.482392|1.354858|1.469809|2.415220|2.199495|0.044191|1.809738|2.491021|2.019742|2.378849|2.708007|3.424756|6.377571|5.396697|5.520824|7.795930|8.748482|17.816891|55.166321|6.520917|6.452410|4.465106|3.619601|3.617632|4.480488|2.843921|2.513896|2.490238|3.880305|3.943483|0.034929|0.039790|0.048398|0.035339|0.054715|0.054709|0.066549|0.066562|0.072280|0.072273|0.097744|0.500000|
|1.177158|1.257875|1.377912|1.403246|1.294121|1.191779|1.297388|2.160021|1.929734|0.039211|1.554522|2.109640|1.727888|1.961004|2.231948|2.647552|4.693953|4.219630|3.966911|6.383244|6.984041|6.866818|30.315667|8.890164|17.730116|8.990054|5.665760|4.948466|5.657061|3.555174|3.146936|3.300812|5.012849|5.714003|0.030769|0.034263|0.040567|0.031406|0.047679|0.047190|0.053887|0.054617|0.061556|0.060516|0.082049|0.223363|0.500000|
|1.032507|1.091216|1.181726|1.206643|1.128907|1.048097|1.139091|1.917679|1.680628|0.034393|1.330509|1.792393|1.465233|1.615804|1.815971|2.055056|3.584361|3.210093|2.793589|4.461734|4.107217|3.755684|19.950516|5.627848|8.927332|17.706032|8.910612|5.631674|4.968834|4.119532|3.978286|4.775536|7.150698|9.775578|0.027163|0.029730|0.034413|0.027852|0.040688|0.040423|0.044312|0.044662|0.050580|0.050073|0.064802|0.111885|0.217148|0.500000|
|1.266165|1.334173|1.476033|1.552685|1.448659|1.311795|1.495769|2.501084|2.278871|0.047387|1.822721|2.381961|2.115147|2.357495|2.884494|3.281987|5.223098|5.829844|5.083934|10.292163|7.112533|4.772631|27.592395|8.945675|5.673255|4.971803|5.664556|8.963214|17.743609|6.916617|4.644105|3.874716|5.550894|5.723645|0.032838|0.035664|0.042745|0.034783|0.058848|0.059765|0.063618|0.062529|0.080761|0.083177|0.129348|0.112477|0.124345|0.107828|0.500000|
|1.064447|1.106655|1.202409|1.261209|1.199955|1.103229|1.244934|2.118329|1.862463|0.039009|1.449630|1.890620|1.635614|1.746464|2.029489|2.170282|3.549392|3.497512|2.798850|4.672479|3.480845|2.822809|17.104347|4.427451|4.022885|4.533057|6.447355|8.921385|6.202982|17.501527|8.859613|6.688689|8.978727|8.362242|0.027894|0.029683|0.034410|0.029598|0.046237|0.046213|0.046903|0.046932|0.058121|0.058068|0.076896|0.073274|0.091547|0.105833|0.164544|0.500000|
|1.113761|1.159591|1.264605|1.329877|1.262215|1.156088|1.311171|2.225088|1.970689|0.041297|1.539439|2.003334|1.748748|1.874922|2.200358|2.359240|3.826824|3.847178|3.073860|5.188257|3.771019|3.013782|18.394957|4.680059|3.963679|4.201742|5.664016|8.873019|7.079138|17.578196|8.831600|5.508138|7.563749|6.818155|0.029115|0.031046|0.036222|0.030964|0.048893|0.050004|0.050823|0.049668|0.061965|0.064271|0.085279|0.077074|0.090171|0.096806|0.212747|0.303415|0.500000|
|0.968900|1.003852|1.081669|1.128396|1.079553|1.000927|1.116563|1.910600|1.652752|0.034552|1.276192|1.672784|1.417147|1.498191|1.699237|1.798759|2.993122|2.805119|2.218485|3.530103|2.677048|2.297825|14.149437|3.258411|3.142590|3.653942|4.960516|5.519818|4.103079|8.728432|17.616257|9.033527|13.348995|7.892351|0.025524|0.027027|0.030876|0.026951|0.039649|0.040345|0.040834|0.040120|0.047815|0.049049|0.060539|0.061461|0.074490|0.091411|0.109143|0.215068|0.206864|0.500000|
|1.003041|1.045120|1.129348|1.173040|1.114625|1.032163|1.145914|1.950054|1.698040|0.035301|1.321971|1.743549|1.469053|1.573287|1.788253|1.928483|3.232820|3.027813|2.452564|3.944187|3.089114|2.642659|15.840293|3.871984|3.745408|4.403058|6.112294|6.775313|4.909429|8.825204|17.512976|9.053238|11.735171|9.017264|0.026388|0.028200|0.032411|0.027677|0.040704|0.041817|0.043284|0.042063|0.049626|0.051683|0.064464|0.071240|0.086994|0.107385|0.125498|0.173663|0.215573|0.302313|0.500000|
|0.951405|0.995946|1.072317|1.102004|1.042729|0.971066|1.061215|1.802038|1.561487|0.032206|1.220284|1.628450|1.341391|1.448856|1.624120|1.780575|3.053860|2.761469|2.295557|3.646651|3.060270|2.720370|15.646209|4.001448|4.774721|7.271476|9.172942|5.774184|4.273987|5.058327|5.729234|9.502115|13.999213|26.010262|0.025106|0.027053|0.030936|0.025981|0.037462|0.037362|0.039578|0.039700|0.045600|0.045418|0.057273|0.076973|0.113172|0.217472|0.098178|0.132827|0.110310|0.129565|0.142106|0.500000|
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