Version2.1
2021-01-09T00:38:55Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
12-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE COc1ccc(cc1)NCc2nnc(n2N)SCC(=O)Nc3cc(c(c(c3)OC)OC)OC C59312119
RHF
6-31G(d)
(6D,7F)
COc1ccc(cc1)NCc2nnc(n2N)SCC(=O)Nc3cc(c(c(c3)OC)OC)OC
C01[X(C21H26N6O5S1)]
171
C1
551
COc1ccc(cc1)NCc1nnc(n1N)SCC(=O)Nc1cc(OC)c(c(c1)OC)OC
COc1ccc(cc1)NCc1nnc(n1N)SCC(=O)Nc1cc(OC)c(c(c1)OC)OC
COc1ccc(NCc2nnc(SCC(=O)Nc3cc(OC)c(OC)c(OC)c3)n2N)cc1
InChIKey=VBNIKYCFKZIUAQ-UHFFFAOYSA-N
InChI=1S/C21H26N6O5S/c1-29-15-7-5-13(6-8-15)23-11-18-25-26-21(27(18)22)33-12-19(28)24-14-9-16(30-2)20(32-4)17(10-14)31-3/h5-10,23H,11-12,22H2,1-4H3,(H,24,28)
InChI=1/C21H26N6O5S/c1-29-15-7-5-13(6-8-15)23-11-18-25-26-21(27(18)22)33-12-19(28)24-14-9-16(30-2)20(32-4)17(10-14)31-3/h5-10,23H,11-12,22H2,1-4H3,(H,24,28)/f/h24H
COc1ccc(cc1)NCc2nnc(n2N)SCC(=O)Nc3cc(c(c(c3)OC)OC)OC
C01[X(C21H26N6O5S1)]
171
C01
551
COc1ccc(cc1)NCc1nnc(n1N)SCC(=O)Nc1cc(OC)c(c(c1)OC)OC
CO[C]1[CH][CH][C]([CH][CH]1)NCC1=[N][N][C](N1N)SCC(=O)N[C]1[CH][C]([C]([C]([CH]1)OC)OC)OC
CO[C]1[CH][CH][C]([CH][CH]1)NCC2=N[N][C](SCC(=O)N[C]3[CH][C](OC)[C](OC)[C]([CH]3)OC)N2N
InChIKey=VBNIKYCFKZIUAQ-UHFFFAOYSA-N
InChI=1S/C21H26N6O5S/c1-29-15-7-5-13(6-8-15)23-11-18-25-26-21(27(18)22)33-12-19(28)24-14-9-16(30-2)20(32-4)17(10-14)31-3/h5-10,23H,11-12,22H2,1-4H3,(H,24,28)
InChI=1/C21H26N6O5S/c1-29-15-7-5-13(6-8-15)23-11-18-25-26-21(27(18)22)33-12-19(28)24-14-9-16(30-2)20(32-4)17(10-14)31-3/h5-10,23H,11-12,22H2,1-4H3,(H,24,28)/f/h24H
3205.8443254227
-1908.7713214
1-A
41766.6984
125
426
551
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11.37209
-6.2343 -1.5091 -0.1238
6.4155
|XX|YY|ZZ|XY|XZ|YZ|
-180.2454 -195.6225 -193.2573 -11.9321 28.5575 -0.7434
|XX|YY|ZZ|XY|XZ|YZ|
9.4630 -5.9141 -3.5489 -11.9321 28.5575 -0.7434
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-736.5605 17.2235 2.3749 161.6571 -90.2972 -44.1009 -12.2656 9.8079 3.0273 -9.2663
|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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6.9029 11.8112 16.2223 29.9152 32.0039 36.4179 45.3568 56.3446 66.8010 73.9741 76.8584 87.0869 91.5053 93.6138 102.1382 122.5844 127.7513 151.7116 162.8739 177.8216 193.6218 203.5757 208.1832 225.7755 229.0900 258.0530 261.7384 271.4374 275.9923 287.4434 296.2614 299.8954 318.0540 325.7487 329.3719 344.4797 365.7775 395.6979 408.8519 421.0506 459.7382 468.2050 482.1302 503.6287 534.6804 555.8097 574.7421 579.3526 582.6742 584.8830 591.1531 634.8471 659.6257 688.1874 701.4735 708.6186 710.3444 727.9917 762.8779 781.1444 785.3942 803.8247 809.6885 824.3334 833.5404 859.1905 878.5116 899.4670 904.2901 919.0395 939.9149 961.0143 966.3738 1020.8656 1022.8071 1044.1085 1053.5113 1070.2113 1086.3598 1103.9712 1107.1375 1118.4838 1134.9877 1157.8782 1173.1814 1196.5446 1198.9046 1206.4352 1208.7101 1243.0816 1276.2625 1281.5367 1290.0946 1292.6749 1293.6526 1294.6703 1304.5496 1305.2218 1305.7240 1325.1236 1329.2845 1331.2950 1343.9277 1350.7725 1361.7209 1390.0237 1391.1813 1404.2425 1405.5245 1444.5827 1463.2735 1471.7987 1490.2982 1504.4690 1510.3877 1527.7317 1580.4668 1587.0745 1604.6772 1623.2262 1628.8582 1631.1075 1636.9426 1642.3148 1647.6387 1650.4697 1651.9950 1652.0643 1654.8640 1658.6534 1659.5100 1660.7109 1660.7740 1664.9846 1684.9854 1700.3041 1707.2259 1730.6326 1788.1209 1791.5058 1804.0963 1810.4144 1834.2304 1872.2488 1972.2911 3204.3896 3207.5308 3213.2032 3215.1280 3216.9874 3257.7001 3262.4190 3265.1059 3270.0552 3278.3699 3283.5715 3312.6133 3312.9950 3326.9321 3329.3827 3329.6897 3359.1398 3385.8954 3392.1413 3394.7350 3406.3989 3495.6222 3738.1739 3774.9049 3837.4838 3869.0076
6.8263 5.7511 4.8941 4.8860 5.1102 5.7634 6.0179 2.9907 5.6437 4.1609 2.9515 4.6188 3.3818 3.4714 4.9352 3.9648 5.0197 5.1620 1.0876 4.0684 3.7398 4.2141 4.6564 1.5769 2.9407 4.4742 2.7982 3.3398 1.2184 3.7769 2.6833 2.2563 1.8261 1.4148 5.0253 7.2024 2.9040 4.4953 4.4143 4.5287 5.8432 3.1037 6.2139 6.3582 6.9592 1.5326 4.1684 4.3556 4.2309 2.6919 5.6358 2.1571 7.5874 3.8235 6.9330 4.6586 3.2017 2.0627 5.3509 9.4276 4.7008 5.1960 5.7406 3.0417 4.6005 5.3451 5.2075 1.6656 5.5246 1.2718 2.1254 2.5423 1.4193 1.9521 6.3608 1.3862 1.9734 5.6039 1.3288 4.2723 2.7116 2.0242 3.5834 6.8046 5.3562 5.2551 3.9940 2.0891 5.5212 5.6897 2.3828 2.2911 1.2603 1.2672 1.2673 1.2682 3.8528 1.1120 1.1662 1.6057 1.4093 1.4746 1.6735 1.5980 1.9307 2.9693 2.5963 3.1700 1.7524 5.2849 1.3626 1.2922 1.7350 1.4953 4.0320 3.4215 2.4906 2.4999 1.1265 1.2111 7.7773 1.2030 1.2590 1.2951 1.0702 1.0479 1.0483 1.0479 1.0601 1.1595 1.0567 1.0798 1.0615 1.4449 6.5080 2.4357 3.6904 2.2105 6.0859 6.4277 6.1311 4.2993 5.6020 1.1426 9.1443 1.0347 1.0347 1.0314 1.0589 1.0332 1.1069 1.0597 1.1073 1.1073 1.1072 1.1078 1.1067 1.1044 1.1013 1.1031 1.1017 1.0905 1.0890 1.0911 1.0951 1.0940 1.0915 1.0480 1.0759 1.0986 1.0781
0.0002 0.0005 0.0008 0.0026 0.0031 0.0045 0.0073 0.0056 0.0148 0.0134 0.0103 0.0206 0.0167 0.0179 0.0303 0.0351 0.0483 0.0700 0.0170 0.0758 0.0826 0.1029 0.1189 0.0474 0.0909 0.1755 0.1129 0.1450 0.0547 0.1839 0.1388 0.1196 0.1088 0.0885 0.3212 0.5036 0.2289 0.4147 0.4348 0.4730 0.7276 0.4009 0.8510 0.9502 1.1722 0.2790 0.8113 0.8614 0.8463 0.5426 1.1604 0.5122 1.9451 1.0669 2.0100 1.3783 0.9519 0.6441 1.8348 3.3893 1.7084 1.9781 2.2174 1.2178 1.8833 2.3248 2.3680 0.7939 2.6617 0.6329 1.1063 1.3834 0.7810 1.1986 3.9206 0.8904 1.2904 3.7817 0.9240 3.0678 1.9583 1.4920 2.7198 5.3750 4.3435 4.4329 3.3825 1.7915 4.7526 5.1801 2.2868 2.2170 1.2358 1.2476 1.2496 1.2525 3.8632 1.1162 1.1714 1.6613 1.4672 1.5399 1.7809 1.7179 2.1093 3.3802 2.9605 3.6829 2.0397 6.4979 1.7190 1.6492 2.2704 1.9941 5.4194 4.7050 3.6654 3.7099 1.7091 1.8802 12.1575 1.8858 1.9877 2.0580 1.7118 1.6818 1.6857 1.6851 1.7105 1.8795 1.7147 1.7546 1.7251 2.3600 10.8865 4.1489 6.3374 3.9007 11.4649 12.1546 11.7573 8.3024 11.1045 2.3597 20.9578 6.2599 6.2720 6.2739 6.4492 6.3000 6.9214 6.6451 6.9552 6.9763 7.0115 7.0373 7.1553 7.1421 7.1823 7.2045 7.1967 7.2502 7.3559 7.3970 7.4354 7.4794 7.8584 8.6288 9.0329 9.5321 9.5088
0.1839 0.2298 0.2712 1.0178 0.4781 1.1254 7.3304 2.7033 2.3056 2.8938 1.3487 7.4944 4.3178 11.2669 6.6424 0.7251 5.6294 2.7070 0.2237 1.6877 2.0524 0.9171 2.0593 0.2044 4.5202 2.1885 3.7326 7.3081 0.8554 11.3736 4.0193 4.4845 0.4085 26.6519 2.6963 14.7346 8.0015 0.0756 12.8983 9.1856 3.2452 0.6541 1.5684 6.3785 7.1484 79.8250 11.8275 23.4844 16.0686 11.1166 5.7428 0.0739 42.6110 2.4815 0.7779 1.4028 2.8034 159.5702 17.8046 7.0749 4.7113 6.9473 6.1518 25.1569 10.9632 20.9712 29.5669 50.7581 4.4902 8.3379 78.6825 17.6506 43.5648 11.6075 4.0899 1.1097 98.2360 40.8726 0.2289 3.2749 1.2913 24.8018 74.9311 82.9613 61.4606 3.7103 79.5804 14.8801 15.1218 55.9629 0.0265 139.5304 0.7692 3.7327 2.5644 3.2562 346.1285 0.3563 12.1262 89.6223 73.2828 17.4180 129.8465 40.7145 233.9111 116.3556 196.9871 222.9216 183.4426 187.0075 12.7405 3.3705 57.7220 12.8795 9.4247 4.5399 28.1956 375.7415 52.8907 41.8817 63.4815 35.5795 9.6219 54.2697 7.1372 4.2988 1.1229 8.4023 1.5071 11.8392 35.4346 1.7774 21.7529 80.6370 174.9429 392.0173 310.9266 388.3129 32.2335 1.9014 128.7736 379.8129 3.0165 35.5143 210.4418 51.4918 50.4753 66.5386 21.1562 42.7059 21.5997 17.0422 58.9802 54.1283 47.6154 45.4400 0.5214 62.1703 47.6853 44.1375 46.9953 15.8653 23.5948 9.7814 8.3256 11.0174 8.2579 18.0881 15.0119 32.4837 31.5976
0.5970 1.9906 1.7258 3.0255 4.1377 0.4876 0.4749 0.0398 0.6271 0.9152 0.2513 1.2267 0.7756 0.2456 1.3395 0.3364 0.7299 1.0575 0.1407 0.2432 0.7066 0.2933 0.6854 1.6190 0.1516 0.2343 1.0361 0.3321 0.4842 0.9956 0.9975 0.8865 0.3681 2.3103 0.5063 0.2161 4.2533 6.2845 3.9774 0.6049 1.2578 0.0590 1.4723 0.9417 1.0943 1.1448 4.2701 1.3281 2.0295 0.7068 1.3965 0.1550 3.6655 0.2192 7.1994 0.9702 1.4700 2.8089 5.4802 0.9532 3.3738 6.6139 1.5312 1.0351 1.3555 51.0824 6.4349 2.2004 14.2766 2.2878 16.7354 22.7836 1.2527 1.7950 4.7698 4.3755 4.0376 6.5235 0.4585 1.3918 0.0484 3.5193 8.6873 14.3157 2.2513 14.0061 7.5607 4.7496 9.3321 6.5208 3.6816 26.1216 4.9771 3.7898 5.2297 4.7140 1.7651 11.0460 7.1010 3.1296 2.2469 6.2376 2.5271 7.9361 6.2389 3.8246 6.7570 1.4149 0.4428 30.6780 2.4971 3.3091 7.9903 1.9083 24.7442 12.1757 1.8081 8.0325 11.7089 8.2438 43.5475 5.9557 3.9383 4.9342 26.3963 26.3285 41.3551 3.5929 20.6778 7.3723 11.0904 24.3460 17.6126 24.0105 40.4355 2.8169 7.0782 11.1753 31.3166 30.9363 178.6580 2.0891 95.7162 14.5256 28.5360 105.7973 90.7346 82.2899 88.3571 125.6934 43.7006 56.9533 45.3065 42.1491 35.0636 42.3400 31.5890 156.1634 153.5596 133.2808 141.8887 61.6028 38.5225 57.5476 131.5313 114.6912 36.0754 103.3288 65.6748 64.6853 50.7054
0.7497 0.7494 0.7495 0.7435 0.7455 0.7105 0.7355 0.7328 0.7460 0.7017 0.6452 0.3895 0.7500 0.3980 0.6918 0.7006 0.5597 0.3004 0.7483 0.6188 0.6636 0.5288 0.4709 0.7471 0.6159 0.6499 0.3634 0.6500 0.7477 0.7482 0.5619 0.3558 0.6829 0.2834 0.5537 0.5890 0.5138 0.1582 0.6949 0.2914 0.3033 0.5952 0.7252 0.6169 0.5988 0.7002 0.6585 0.6746 0.5852 0.4325 0.6794 0.6677 0.4072 0.7491 0.7474 0.6665 0.7116 0.5014 0.6840 0.2529 0.4827 0.1099 0.3093 0.6957 0.2356 0.1430 0.1334 0.7239 0.3854 0.7328 0.1858 0.1936 0.7419 0.7467 0.1785 0.7370 0.5922 0.1656 0.7497 0.7400 0.4358 0.1551 0.5675 0.7445 0.3301 0.2619 0.2589 0.1880 0.6376 0.6668 0.5773 0.2358 0.7473 0.7487 0.7492 0.7500 0.7081 0.7475 0.1635 0.3522 0.7330 0.2715 0.4515 0.5915 0.2922 0.2862 0.1911 0.5419 0.7420 0.1365 0.6927 0.3923 0.4462 0.7385 0.1419 0.6013 0.2398 0.6970 0.6005 0.7360 0.2738 0.7298 0.4727 0.3104 0.7435 0.7496 0.7500 0.7316 0.6999 0.3869 0.6794 0.4961 0.7043 0.2914 0.2825 0.7480 0.4724 0.4206 0.3444 0.2421 0.4876 0.5546 0.4400 0.5391 0.2195 0.0285 0.0251 0.0113 0.0301 0.0106 0.7266 0.0304 0.7497 0.7407 0.7370 0.7450 0.7496 0.5115 0.4794 0.6743 0.3489 0.4626 0.7100 0.2250 0.2415 0.1475 0.1884 0.1008 0.2000 0.7077 0.1469
0.8569 0.8568 0.8568 0.8529 0.8542 0.8308 0.8476 0.8458 0.8546 0.8247 0.7844 0.5606 0.8571 0.5694 0.8179 0.8239 0.7177 0.4620 0.8560 0.7645 0.7978 0.6917 0.6403 0.8553 0.7623 0.7878 0.5331 0.7879 0.8556 0.8560 0.7195 0.5249 0.8116 0.4417 0.7127 0.7414 0.6789 0.2732 0.8200 0.4513 0.4654 0.7462 0.8407 0.7630 0.7490 0.8236 0.7941 0.8057 0.7383 0.6038 0.8091 0.8007 0.5787 0.8566 0.8554 0.7999 0.8315 0.6679 0.8123 0.4037 0.6511 0.1980 0.4724 0.8206 0.3813 0.2502 0.2354 0.8398 0.5564 0.8458 0.3134 0.3244 0.8518 0.8550 0.3029 0.8486 0.7438 0.2841 0.8569 0.8506 0.6070 0.2686 0.7241 0.8535 0.4963 0.4151 0.4113 0.3165 0.7787 0.8001 0.7320 0.3816 0.8553 0.8563 0.8566 0.8571 0.8291 0.8555 0.2810 0.5209 0.8460 0.4270 0.6222 0.7434 0.4522 0.4450 0.3209 0.7029 0.8519 0.2402 0.8184 0.5635 0.6171 0.8496 0.2486 0.7510 0.3868 0.8215 0.7504 0.8479 0.4299 0.8438 0.6419 0.4737 0.8529 0.8569 0.8571 0.8450 0.8235 0.5579 0.8091 0.6632 0.8265 0.4513 0.4405 0.8559 0.6417 0.5922 0.5124 0.3898 0.6555 0.7135 0.6111 0.7005 0.3599 0.0555 0.0490 0.0223 0.0584 0.0210 0.8416 0.0590 0.8569 0.8510 0.8486 0.8538 0.8569 0.6768 0.6481 0.8055 0.5173 0.6326 0.8304 0.3673 0.3891 0.2571 0.3170 0.1832 0.3333 0.8289 0.2562
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 8 6 6 6 6 6 6 7 6 6 7 7 6 7 7 16 6 6 8 7 6 6 6 6 6 6 8 6 8 6 8 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
12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 12.00000 12.00000 14.00307 14.00307 12.00000 14.00307 14.00307 31.97207 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 12.00000 15.99491 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
3964.1231 73606.0973 76065.1459
1.00000 -0.00047 0.00285 0.00047 1.00000 0.00017 -0.00285 -0.00017 1.00000
1
0.02185 0.00118 0.00114
0.45527 0.02452 0.02373
9.93 16.99 23.34 43.04 46.05 52.40 65.26 81.07 96.11 106.43 110.58 125.30 131.66 134.69 146.95 176.37 183.81 218.28 234.34 255.85 278.58 292.90 299.53 324.84 329.61 371.28 376.58 390.54 397.09 413.57 426.25 431.48 457.61 468.68 473.89 495.63 526.27 569.32 588.25 605.80 661.46 673.64 693.68 724.61 769.29 799.69 826.93 833.56 838.34 841.52 850.54 913.40 949.05 990.15 1009.26 1019.54 1022.03 1047.42 1097.61 1123.89 1130.01 1156.52 1164.96 1186.03 1199.28 1236.18 1263.98 1294.13 1301.07 1322.29 1352.33 1382.69 1390.40 1468.80 1471.59 1502.24 1515.77 1539.80 1563.03 1588.37 1592.92 1609.25 1632.99 1665.93 1687.95 1721.56 1724.96 1735.79 1739.06 1788.52 1836.26 1843.85 1856.16 1859.87 1861.28 1862.74 1876.96 1877.92 1878.65 1906.56 1912.54 1915.44 1933.61 1943.46 1959.21 1999.93 2001.60 2020.39 2022.24 2078.43 2105.32 2117.59 2144.21 2164.60 2173.11 2198.07 2273.94 2283.45 2308.77 2335.46 2343.56 2346.80 2355.20 2362.92 2370.58 2374.66 2376.85 2376.95 2380.98 2386.43 2387.66 2389.39 2389.48 2395.54 2424.32 2446.36 2456.32 2489.99 2572.71 2577.58 2595.69 2604.78 2639.05 2693.75 2837.69 4610.40 4614.92 4623.08 4625.85 4628.53 4687.10 4693.89 4697.76 4704.88 4716.84 4724.33 4766.11 4766.66 4786.71 4790.24 4790.68 4833.05 4871.55 4880.53 4884.27 4901.05 5029.42 5378.40 5431.25 5521.28 5566.64
0.508340
0.540097
0.541041
0.438577
-1908.262981
-1908.231224
-1908.230280
-1908.332744
3.436659D-04
MUNgauss
RevisionA2.0
retrievium
09-Jan-2021
DUDE COc1ccc(cc1)NCc2nnc(n2N)SCC(=O)Nc3cc(c(c(c3)OC)OC)OC C59312119
RHF
6-31G(d)
(6D,10F)
C1
474.168540
|X|Y|Z|
44.339287 24.300655 198.015637
59.754240
23
|36.858105|
|13.628980|73.516695|
|8.023820|25.060344|36.858105|
|5.257410|14.543204|13.641442|36.858105|
|3.989679|9.413743|7.926441|13.892392|36.858105|
|3.774255|8.152909|6.789749|7.890500|13.606178|36.858105|
|4.502377|9.206597|7.914735|6.909010|7.997356|13.810272|36.858105|
|6.718599|13.972875|13.827275|7.974925|6.906184|7.878199|13.635598|36.858105|
|2.953069|6.083944|4.513636|5.172090|7.896668|13.447843|7.710036|5.091330|53.358707|
|2.672345|5.238210|3.717310|3.900545|5.095944|7.710370|6.570384|4.433944|17.876875|36.858105|
|2.219725|4.314515|2.931054|3.131853|3.960053|5.101482|4.362932|3.307654|10.784738|12.752966|36.858105|
|1.999720|3.841423|2.549526|2.701154|3.297533|4.027418|3.579068|2.839214|7.581426|7.689566|14.899300|53.358707|
|1.781863|3.414908|2.223796|2.371723|2.842742|3.300997|2.938597|2.419239|5.920132|5.287515|8.886031|18.924020|53.358707|
|1.812241|3.495786|2.282204|2.458316|2.970853|3.420537|2.993395|2.464351|6.205176|5.294452|8.853656|12.106785|20.173924|36.858105|
|2.064247|4.021615|2.687354|2.910446|3.631847|4.373037|3.717512|2.945386|8.573528|7.553320|13.952495|11.986716|11.981725|14.070514|53.358707|
|2.136842|4.193449|2.799494|3.058853|3.800953|4.432254|3.744943|3.022777|8.104746|6.161191|7.643587|7.380828|7.426708|7.838003|18.747209|53.358707|
|1.606821|3.085692|1.970948|2.123725|2.492134|2.736635|2.433875|2.082959|4.617408|3.653014|4.952133|6.708086|9.468520|10.857057|9.513054|8.357194|388.023441|
|1.447754|2.754425|1.738315|1.854749|2.137713|2.330551|2.113414|1.834876|3.831503|3.068197|4.034208|6.134966|9.069075|7.157288|6.510094|5.474228|74.736747|36.858105|
|1.314206|2.490175|1.551490|1.651164|1.870602|2.000169|1.831558|1.621161|3.188170|2.491090|3.084585|4.514731|5.922915|4.698908|4.888935|4.447262|49.659632|12.533115|36.858105|
|1.298913|2.463715|1.529698|1.631020|1.839669|1.949368|1.784267|1.589453|3.076787|2.366730|2.870589|4.043661|5.093994|4.245645|4.647928|4.451189|47.461024|7.987227|15.925516|73.516695|
|1.225728|2.310455|1.429704|1.513048|1.697176|1.807700|1.671574|1.492126|2.840772|2.221987|2.690420|4.021395|5.094163|3.768373|4.067099|3.678062|34.092081|7.955678|14.007312|14.911594|53.358707|
|1.126203|2.114768|1.297085|1.368169|1.516786|1.599440|1.489923|1.346171|2.468639|1.909896|2.245710|3.300391|3.989227|2.960658|3.351279|3.112261|25.902420|5.045953|7.608325|11.494037|18.389643|36.858105|
|1.090930|2.048207|1.250941|1.320144|1.455935|1.523947|1.420982|1.292048|2.331859|1.785079|2.070259|2.970828|3.524045|2.692248|3.124892|2.984634|24.062789|4.222211|6.295508|11.677603|10.564757|13.762663|36.858105|
|1.010664|1.890685|1.146935|1.206120|1.318352|1.371979|1.287338|1.180660|2.073608|1.579592|1.799379|2.570995|2.974929|2.250270|2.675833|2.576419|19.303168|3.237527|4.316931|7.965540|6.996643|7.972424|13.680041|36.858105|
|0.968737|1.807046|1.093423|1.146159|1.248337|1.299533|1.224730|1.126276|1.955899|1.493841|1.691591|2.440302|2.795878|2.070710|2.472783|2.357654|17.140239|2.909553|3.668025|6.397414|6.191195|6.852680|7.857009|13.711306|36.858105|
|0.994351|1.854574|1.125337|1.178832|1.288029|1.347508|1.269886|1.163149|2.038022|1.567415|1.786775|2.618586|3.018680|2.190657|2.585764|2.423687|17.813598|3.151318|3.894737|6.385169|7.084134|7.931500|6.834387|7.951105|13.695335|36.858105|
|1.070161|2.001843|1.222641|1.284110|1.414840|1.490080|1.397166|1.268791|2.280764|1.767059|2.050567|3.044887|3.597375|2.590776|2.982491|2.752093|21.328696|4.035574|5.162112|7.870385|10.903960|13.701318|7.893703|6.883137|7.899702|13.726667|36.858105|
|0.946624|1.760084|1.063964|1.110769|1.207283|1.260993|1.194315|1.099038|1.893752|1.455825|1.641715|2.411703|2.732877|1.958900|2.341732|2.192048|15.462677|2.677418|3.129403|5.134566|5.415986|5.208841|4.613726|5.304262|8.223872|14.178144|7.905742|73.516695|
|0.958383|1.779480|1.076711|1.121681|1.219685|1.278591|1.213764|1.115347|1.921626|1.485397|1.674902|2.490782|2.808927|1.974283|2.356837|2.180134|15.192163|2.659277|2.981405|4.764762|5.153583|4.527310|3.791891|3.993752|5.267128|8.017029|6.757956|24.216946|36.858105|
|0.906637|1.686382|1.015111|1.061067|1.147914|1.190020|1.126732|1.042961|1.775022|1.350356|1.509887|2.164780|2.439647|1.805495|2.191549|2.105284|14.676711|2.410979|2.916079|5.160863|4.677147|4.605892|5.200873|7.984124|14.040207|7.993064|5.219040|12.727365|4.697695|73.516695|
|0.881221|1.641820|0.985615|1.033105|1.114828|1.147949|1.084353|1.007460|1.705324|1.286284|1.429453|2.043084|2.285032|1.691099|2.068198|1.994038|13.633559|2.205701|2.618946|4.658302|4.107572|3.859742|4.291010|5.977597|8.157049|5.946485|4.288676|10.348870|4.147272|24.104229|36.858105|
|0.974255|1.820893|1.099891|1.155896|1.256628|1.300362|1.222677|1.127961|1.949705|1.474691|1.660574|2.340911|2.670715|2.042917|2.474832|2.423074|17.460685|2.780983|3.570608|6.900470|5.340581|5.231968|7.922292|14.193427|8.240513|5.307843|4.637509|7.318920|3.220854|12.720982|5.882760|73.516695|
|1.003918|1.879770|1.136107|1.196273|1.301396|1.343951|1.260843|1.163249|2.014625|1.516834|1.706292|2.373931|2.707167|2.112332|2.577315|2.564579|18.443828|2.820964|3.628067|7.469204|5.053591|4.549259|6.791233|8.015404|5.269169|3.993288|3.807003|5.722925|2.667915|8.341064|4.180665|24.161218|36.858105|
|17.552145|16.444142|7.044463|4.760445|3.796510|3.724767|4.565053|6.724454|4.008923|2.710630|2.247805|2.734790|2.442985|1.837848|2.865134|2.996754|11.617422|1.462783|1.328834|2.341679|1.681864|1.135062|1.101835|1.020005|0.975611|0.999614|1.075891|1.688893|0.960086|1.622885|0.885003|1.750285|1.016996|0.500000|
|17.552941|16.444868|7.051552|4.767635|3.798596|3.727522|4.570142|6.722236|4.005875|2.714823|2.241787|2.776632|2.452244|1.810352|2.792635|2.840796|11.317862|1.447265|1.309060|2.286980|1.668962|1.125383|1.085338|1.005688|0.967216|0.996398|1.073412|1.690470|0.966331|1.608910|0.878960|1.718373|0.992238|0.298954|0.500000|
|17.644595|17.002877|5.881125|4.411194|3.413852|3.170753|3.609804|4.899231|3.493504|2.332635|1.982864|2.456509|2.214596|1.655232|2.536302|2.628724|10.567045|1.346693|1.231750|2.169490|1.569164|1.064826|1.034439|0.962188|0.923420|0.945910|1.013976|1.604143|0.912560|1.541235|0.844673|1.653522|0.958246|0.299991|0.299972|0.500000|
|4.870318|13.467639|8.941423|17.735096|8.934469|5.616934|4.972122|5.678415|5.706329|3.264852|2.744068|3.284971|2.944738|2.246257|3.543938|3.741106|14.105546|1.744450|1.570301|2.769727|1.965404|1.314220|1.273526|1.168488|1.110865|1.139133|1.235302|1.910983|1.083197|1.833873|1.008566|1.997957|1.163882|0.119849|0.120013|0.121151|0.500000|
|3.334137|7.612870|5.642747|8.983386|17.701182|8.892850|5.674358|4.968069|9.950664|4.702923|3.936179|4.509086|3.978888|3.089029|5.076654|5.344800|18.651188|2.236470|1.959633|3.435454|2.409629|1.579870|1.518497|1.371607|1.295075|1.334647|1.468172|2.217515|1.256976|2.112740|1.157875|2.323971|1.356001|0.088273|0.088251|0.082181|0.215597|0.500000|
|3.922330|7.459170|5.666327|4.973778|5.653974|8.901913|17.746921|8.973348|9.464144|7.357673|4.688332|5.243947|4.215227|3.110891|5.257042|5.146098|17.705462|2.176285|1.873283|3.225407|2.331162|1.521553|1.444925|1.307081|1.245565|1.295510|1.428936|2.167045|1.242330|2.034500|1.096341|2.200294|1.273402|0.113317|0.113565|0.089188|0.107905|0.124102|0.500000|
|7.423120|12.446677|8.899288|5.646155|4.972949|5.646859|8.950955|17.758404|5.642032|3.884203|2.980768|3.552988|3.049205|2.265736|3.625041|3.696330|13.748079|1.722081|1.530419|2.666388|1.928323|1.283924|1.233011|1.131067|1.081967|1.117300|1.214879|1.882617|1.076003|1.786390|0.969355|1.923285|1.113857|0.223406|0.223061|0.145377|0.124319|0.107843|0.219584|0.500000|
|2.741622|5.675148|4.090643|4.858273|7.342834|9.511476|5.983591|4.372686|25.913582|9.387021|7.405798|7.815326|6.144245|4.591379|8.060263|7.225757|24.285442|2.896113|2.398672|4.081442|2.923750|1.861569|1.748523|1.553391|1.469133|1.537028|1.724759|2.541335|1.454511|2.365968|1.283619|2.586774|1.497064|0.074559|0.076349|0.067205|0.113845|0.213636|0.150111|0.100571|0.500000|
|2.681248|5.168832|3.627246|3.689826|4.604963|6.699926|6.382671|4.411842|12.136497|17.542079|9.086501|10.022330|6.630819|4.504355|7.691985|6.280566|22.798099|2.843192|2.325740|3.886408|2.882479|1.830796|1.699532|1.513849|1.445182|1.525850|1.716319|2.539768|1.469596|2.329867|1.249299|2.506019|1.438223|0.074782|0.077486|0.064901|0.086144|0.116218|0.211679|0.110150|0.213721|0.500000|
|2.761606|5.318225|3.756314|3.785742|4.719875|7.035408|6.881504|4.645707|12.542746|17.564102|8.996493|8.148798|6.206133|4.766714|9.218927|8.474051|24.722514|2.880984|2.382445|4.076108|2.886207|1.837474|1.732749|1.538457|1.450972|1.513274|1.696403|2.497933|1.427538|2.339642|1.249787|2.568119|1.493150|0.079725|0.077365|0.066538|0.087754|0.117614|0.234746|0.115841|0.182074|0.301717|0.500000|
|2.182369|4.225580|2.811444|2.985079|3.610808|4.292815|3.825094|3.097465|7.375219|5.952815|6.704914|6.620398|6.473694|6.306552|13.222712|25.903157|36.946490|3.608031|3.003301|5.373107|3.428861|2.158046|2.080838|1.810648|1.660762|1.702238|1.919443|2.747493|1.536994|2.650668|1.407022|3.042994|1.813970|0.063346|0.059120|0.054593|0.073999|0.099945|0.110077|0.078436|0.128483|0.125555|0.187463|0.500000|
|2.326960|4.662216|3.169032|3.572008|4.622160|5.322046|4.221071|3.369037|9.961610|6.474729|7.020694|6.746657|6.429713|6.143240|13.305552|25.905183|35.110078|3.489329|2.903576|5.173577|3.337113|2.104748|2.025675|1.767922|1.626553|1.669737|1.880382|2.702670|1.514119|2.599058|1.395874|2.971455|1.765671|0.066262|0.062633|0.058146|0.088441|0.135532|0.113546|0.081963|0.177285|0.131828|0.175935|0.323909|0.500000|
|1.459785|2.789864|1.762975|1.894642|2.193727|2.376792|2.133887|1.851348|3.927524|3.102651|4.079772|6.444412|9.576676|6.784256|6.290876|5.169093|56.368653|17.609877|8.861988|10.964586|9.721905|4.731083|3.881715|3.058239|2.815789|3.104127|3.978080|4.763235|2.706508|4.172185|2.182602|4.662417|2.618447|0.040694|0.040655|0.037737|0.049615|0.064285|0.060637|0.048046|0.084524|0.080854|0.078900|0.093036|0.094583|0.500000|
|1.441523|2.721444|1.716686|1.809472|2.074271|2.293076|2.114249|1.831895|3.752124|3.103278|4.085868|6.437174|9.545089|6.786516|6.309901|5.181709|56.356628|17.608449|8.864285|10.978269|9.708247|4.727580|3.887400|3.060895|2.815517|3.098692|3.966872|4.750760|2.702410|4.178203|2.125660|4.667869|2.628780|0.040563|0.040227|0.037176|0.047012|0.059427|0.061342|0.048127|0.077852|0.081183|0.081687|0.098034|0.091167|0.303572|0.500000|
|1.239522|2.333523|1.446421|1.527342|1.715600|1.837510|1.702681|1.515272|2.896842|2.288193|2.785986|4.283640|5.465026|3.840381|4.107477|3.622387|32.208320|7.843776|9.495882|10.883893|26.061514|9.351778|5.767192|4.303634|4.090277|4.949113|7.730582|7.091093|4.022255|5.655672|2.823136|5.983214|3.145546|0.034634|0.034595|0.032336|0.040376|0.049559|0.048656|0.040003|0.061161|0.061276|0.060158|0.068918|0.067314|0.216046|0.215314|0.500000|
|1.128480|2.123977|1.299684|1.375369|1.520893|1.590471|1.477424|1.341089|2.440038|1.860391|2.163796|3.061347|3.645879|2.863195|3.328559|3.227674|26.717371|4.467639|6.930075|15.244926|9.625842|8.958931|17.882344|8.865871|5.613519|4.944675|5.644231|6.520071|3.139960|7.474488|3.633812|12.598702|7.567212|0.031728|0.031080|0.029697|0.036849|0.044167|0.041644|0.035464|0.050629|0.048721|0.050363|0.062389|0.060525|0.110598|0.110936|0.144279|0.500000|
|1.089503|2.036580|1.246099|1.306874|1.442323|1.525661|1.432218|1.297098|2.341681|1.826412|2.126655|3.212388|3.797627|2.662173|3.047045|2.766806|21.191428|4.106838|4.856446|7.105751|10.100700|8.918850|5.636645|4.960535|5.625503|8.887940|17.758531|12.594510|7.539960|7.488373|3.624883|6.537378|3.146697|0.030371|0.030465|0.028633|0.034836|0.041489|0.040810|0.034517|0.049374|0.049677|0.048419|0.053541|0.052575|0.116040|0.115438|0.239006|0.124419|0.500000|
|0.987251|1.838727|1.114690|1.165610|1.271309|1.330762|1.257207|1.152822|2.006918|1.546656|1.750412|2.620858|2.964672|2.066902|2.454920|2.256035|15.801081|2.798771|3.098388|4.878471|5.392448|4.578944|3.726621|3.780680|4.734959|6.992879|6.745259|16.431146|17.555725|7.328845|3.833487|5.426963|2.575322|0.027401|0.027671|0.026095|0.031281|0.036517|0.035664|0.030802|0.042465|0.042562|0.040998|0.043883|0.043658|0.081050|0.078184|0.119902|0.086592|0.227992|0.500000|
|0.980207|1.816149|1.101061|1.143155|1.244710|1.313308|1.251137|1.146336|1.978783|1.543912|1.747600|2.614204|2.957177|2.063885|2.452587|2.254925|15.792108|2.796538|3.101342|4.887795|5.399597|4.601901|3.755044|3.818374|4.795260|7.065527|6.764710|16.445256|17.561787|7.454163|3.579609|5.475061|2.599315|0.027327|0.027495|0.025874|0.030551|0.035495|0.035748|0.030778|0.041455|0.042522|0.041311|0.044342|0.043259|0.078160|0.080841|0.119766|0.087151|0.225051|0.298761|0.500000|
|0.913097|1.691259|1.019399|1.059361|1.146116|1.198110|1.141724|1.054326|1.788293|1.378479|1.538691|2.277253|2.532880|1.781178|2.152517|2.001076|13.556980|2.313920|2.550845|4.144868|4.243551|3.626509|3.184718|3.419392|4.428633|5.889951|4.921320|17.024235|17.647611|7.632088|3.941609|5.123979|2.409764|0.025390|0.025593|0.024205|0.028474|0.032749|0.032437|0.028323|0.037564|0.038013|0.036874|0.039325|0.038791|0.065448|0.065363|0.091170|0.075178|0.146984|0.300100|0.300057|0.500000|
|0.840150|1.561373|0.934273|0.976570|1.049243|1.078968|1.023170|0.954325|1.594182|1.201664|1.325928|1.888703|2.093877|1.548783|1.910579|1.848974|12.364474|1.971124|2.298212|4.102500|3.539309|3.210899|3.530405|4.674207|5.908489|4.663137|3.531387|8.589930|3.652960|16.899723|17.622247|8.638248|3.669929|0.023446|0.023278|0.022411|0.026516|0.030198|0.028738|0.025568|0.033257|0.032485|0.032529|0.036401|0.036044|0.054091|0.053154|0.068255|0.085785|0.085684|0.092842|0.089077|0.100463|0.500000|
|0.894805|1.671326|1.003472|1.055263|1.139611|1.169281|1.100553|1.022774|1.737514|1.303393|1.448753|2.058525|2.305751|1.722398|2.110116|2.047913|14.037258|2.243342|2.689213|4.881717|4.131176|3.851890|4.491737|6.292543|7.214617|5.171055|4.030236|8.366849|3.550482|16.445136|17.573133|12.080968|4.818769|0.024962|0.024734|0.023835|0.028671|0.032987|0.030814|0.027275|0.036351|0.035007|0.035175|0.040024|0.039887|0.061594|0.059236|0.077535|0.108376|0.094123|0.094386|0.087101|0.092451|0.299702|0.500000|
|0.886514|1.653120|0.992922|1.041974|1.125393|1.158283|1.092585|1.014442|1.722378|1.298460|1.444044|2.076598|2.320968|1.702436|2.076828|1.988688|13.584566|2.221977|2.605681|4.544321|4.145180|3.849328|4.035066|5.202921|7.212732|6.238405|4.478331|11.839717|4.741347|16.444265|17.565356|8.453759|3.582381|0.024675|0.024605|0.023600|0.028263|0.032504|0.030670|0.027091|0.036165|0.035152|0.034882|0.038845|0.038770|0.061986|0.059481|0.080669|0.094449|0.107813|0.124435|0.108135|0.126300|0.299699|0.298688|0.500000|
|1.030859|1.927060|1.167163|1.225364|1.335178|1.387088|1.304811|1.200450|2.084614|1.580733|1.784850|2.476747|2.836337|2.229221|2.713690|2.707042|19.716351|2.993677|3.884222|8.185953|5.282330|4.625609|6.804715|7.063421|4.794381|3.816239|3.768580|5.469774|2.598630|7.442179|3.600379|16.433033|17.575561|0.029098|0.028298|0.027277|0.032993|0.038506|0.036747|0.031972|0.042785|0.041518|0.043461|0.053533|0.051299|0.075363|0.078243|0.090491|0.226403|0.087318|0.069289|0.071902|0.064969|0.089370|0.109483|0.087625|0.500000|
|1.039873|1.955981|1.184543|1.254624|1.369801|1.408888|1.312469|1.208721|2.119249|1.584023|1.788153|2.479591|2.840340|2.235952|2.721781|2.719227|19.831307|3.000195|3.899183|8.280178|5.275409|4.606766|6.790594|7.001472|4.742363|3.784288|3.744537|5.429589|2.577047|7.329142|3.865105|16.419571|17.571277|0.029217|0.028501|0.027560|0.033965|0.039879|0.036667|0.032015|0.043915|0.041529|0.043128|0.052932|0.052152|0.077881|0.075783|0.090216|0.229030|0.086854|0.070620|0.069343|0.064443|0.093298|0.126237|0.095399|0.299156|0.500000|
|0.960684|1.795412|1.080315|1.135382|1.228049|1.262933|1.188903|1.103113|1.878502|1.408575|1.567795|2.169678|2.442797|1.902589|2.354311|2.359600|16.293864|2.440740|3.018305|6.108842|4.176071|3.640505|4.938223|5.892055|4.432465|3.420298|3.195970|5.123223|2.410427|7.627589|3.978749|17.018592|17.645873|0.027042|0.026344|0.025541|0.030776|0.035494|0.033298|0.029400|0.038704|0.037164|0.038637|0.046591|0.045418|0.063494|0.063728|0.074228|0.147356|0.075326|0.064419|0.065002|0.061627|0.101078|0.128696|0.093374|0.299860|0.299842|0.500000|
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