Version2.0
2020-07-30T16:57:13Z
10.1021/jm300687e
Gaussian16
RevisionB.01
SBUNGAY
07-Jul-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CCCCCC(=O)N[C@H]([C@@H](C)CC)C(=O)Nc1nnc(s1)c2ccc(cc2)Cl C04408537
RHF
6-31G(d)
(6D,7F)
CCCCCC(=O)N[C@H]([C@@H](C)CC)C(=O)Nc1nnc(s1)c2ccc(cc2)Cl
C01[X(C20H27Cl1N4O2S1)]
159
C1
482
CC[C@@H]([C@H](C(=O)Nc1nnc(s1)c1ccc(cc1)Cl)NC(=O)CCCCC)C
CC[C@@H]([C@H](C(=O)Nc1nnc(s1)c1ccc(cc1)Cl)NC(=O)CCCCC)C
CCCCCC(=O)N[C@H]([C@@H](C)CC)C(=O)Nc1sc(nn1)c2ccc(Cl)cc2
InChIKey=FNDLYWDAGNDAAI-SUMWQHHRSA-N
InChI=1S/C20H27ClN4O2S/c1-4-6-7-8-16(26)22-17(13(3)5-2)18(27)23-20-25-24-19(28-20)14-9-11-15(21)12-10-14/h9-13,17H,4-8H2,1-3H3,(H,22,26)(H,23,25,27)/t13-,17+/m0/s1
InChI=1/C20H27ClN4O2S/c1-4-6-7-8-16(26)22-17(13(3)5-2)18(27)23-20-25-24-19(28-20)14-9-11-15(21)12-10-14/h9-13,17H,4-8H2,1-3H3,(H,22,26)(H,23,25,27)/t13-,17+/m0/s1/f/h22-23H
CCCCCC(=O)N[C@H]([C@@H](C)CC)C(=O)Nc1nnc(s1)c2ccc(cc2)Cl
C01[X(C20H27Cl1N4O2S1)]
159
C01
482
CC[C@@H]([C@H](C(=O)Nc1nnc(s1)c1ccc(cc1)Cl)NC(=O)CCCCC)C
CC[C@@H]([C@H](C(=O)N[C]1SC(=[N][N]=1)[C]1[CH][CH][C]([CH][CH]1)Cl)NC(=O)CCCCC)C
CCCCCC(=O)N[C@H]([C@@H](C)CC)C(=O)Nc1sc(nn1)[C]2[CH][CH][C](Cl)[CH][CH]2
InChIKey=FNDLYWDAGNDAAI-SUMWQHHRSA-N
InChI=1S/C20H27ClN4O2S/c1-4-6-7-8-16(26)22-17(13(3)5-2)18(27)23-20-25-24-19(28-20)14-9-11-15(21)12-10-14/h9-13,17H,4-8H2,1-3H3,(H,22,26)(H,23,25,27)/t13-,17+/m0/s1
InChI=1/C20H27ClN4O2S/c1-4-6-7-8-16(26)22-17(13(3)5-2)18(27)23-20-25-24-19(28-20)14-9-11-15(21)12-10-14/h9-13,17H,4-8H2,1-3H3,(H,22,26)(H,23,25,27)/t13-,17+/m0/s1/f/h22-23H
2734.9212948903
-1997.6315371
1-A
26510.0203
112
370
482
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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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10.66487
2.4305 -0.4417 2.7258
3.6787
|XX|YY|ZZ|XY|XZ|YZ|
-197.8877 -179.8087 -188.0675 -2.1312 7.8694 2.3406
|XX|YY|ZZ|XY|XZ|YZ|
-9.2997 8.7793 0.5205 -2.1312 7.8694 2.3406
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
138.9989 7.6870 11.9242 34.3952 9.1601 31.4556 -1.1188 -9.3194 15.2702 19.9411
|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
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
0.7423 7.7598 18.4980 27.3512 28.5915 34.1020 47.8939 51.0902 61.4205 66.5687 87.8765 96.0224 109.0965 117.6656 125.0986 138.5764 145.1158 153.2530 181.8642 195.4001 221.9928 238.5194 257.9017 263.3838 265.9915 286.7611 290.5723 304.4866 309.2718 350.0315 374.8569 387.2004 415.0388 438.7898 446.8166 455.0636 464.1652 472.1587 519.9917 544.9921 561.8268 580.6750 612.3242 636.1893 662.6692 687.0529 688.0523 693.2627 708.2596 734.8489 758.7351 781.7838 787.5401 794.3229 801.5330 828.7695 847.7833 861.4617 882.5782 921.9757 931.7452 936.6935 954.6047 967.6282 981.5639 1044.4236 1053.9508 1061.9620 1077.2035 1085.0294 1090.3032 1099.4930 1110.2038 1115.3684 1116.0240 1119.1733 1134.0412 1140.0664 1181.4266 1200.7975 1209.3138 1217.6672 1232.6189 1242.6422 1248.6627 1270.3219 1299.5631 1300.1105 1311.3737 1313.5897 1337.7171 1344.5079 1396.2759 1399.8511 1406.0267 1416.6362 1432.6679 1451.9762 1454.8598 1455.2984 1459.4369 1472.7862 1479.6471 1496.8140 1525.8615 1536.3402 1551.7472 1558.4803 1567.3447 1571.0234 1573.8693 1577.3476 1614.9067 1634.5945 1635.6155 1635.7866 1638.4326 1644.2464 1644.6612 1646.9217 1647.2683 1652.8857 1656.9109 1662.1967 1671.6803 1709.2040 1732.5521 1755.9890 1775.8748 1807.3083 1950.8941 1966.1235 3176.0918 3184.0798 3191.8151 3195.5136 3197.1974 3197.3812 3198.3000 3205.5104 3214.9369 3217.6835 3225.2738 3232.1353 3243.1860 3258.9150 3260.1528 3262.5558 3274.0644 3277.6959 3280.0829 3294.4883 3306.8162 3373.8174 3399.6525 3406.0371 3420.0229 3853.6034 3865.5620
3.6634 3.7766 5.0767 4.8664 3.3416 3.5517 3.2505 5.9291 6.8246 6.1799 3.7449 9.6048 2.8172 1.7851 2.9196 4.4180 3.7764 2.9215 6.0666 4.5069 2.4892 1.4156 2.7049 1.1209 1.3614 6.0609 7.5981 7.2291 3.9721 4.4590 3.9088 7.6696 3.4225 4.3819 3.7304 3.2396 6.1097 3.2499 3.9938 4.9340 3.0271 1.5611 1.3996 1.8644 3.4103 5.3261 7.2617 7.2623 9.2439 3.4441 7.0137 1.5747 1.8531 3.7451 7.9350 1.2722 6.5301 1.3413 4.7470 2.7988 1.3836 1.3500 1.4106 2.1937 2.2962 3.2717 1.4760 1.2554 7.7814 1.3756 3.1253 3.3983 1.7674 3.2808 1.3580 2.4421 2.5347 2.1538 1.9929 2.2374 2.8086 2.1430 2.2079 1.5633 4.4677 2.6111 3.3922 2.0576 1.2299 1.9939 2.0798 1.5254 4.5857 1.3872 1.2696 1.2411 1.2654 3.3421 1.0700 1.3458 1.1281 1.4607 1.3590 1.4496 1.3615 1.4889 1.5215 2.6366 1.3277 1.2665 1.3200 1.6904 1.0972 1.0799 1.0664 1.0772 2.3878 1.0419 1.1191 1.0877 1.0531 1.0574 1.0959 1.0534 2.3728 1.8750 9.0775 4.2113 6.4512 5.3302 9.6781 9.5886 1.0596 1.0823 1.0584 1.0619 1.0484 1.1021 1.0424 1.0585 1.0415 1.0781 1.0958 1.0954 1.0977 1.1038 1.0984 1.1022 1.1020 1.1030 1.1031 1.0984 1.0873 1.0909 1.0915 1.0954 1.0955 1.0787 1.0780
0.0000 0.0001 0.0010 0.0021 0.0016 0.0024 0.0044 0.0091 0.0152 0.0161 0.0170 0.0522 0.0198 0.0146 0.0269 0.0500 0.0469 0.0404 0.1182 0.1014 0.0723 0.0475 0.1060 0.0458 0.0568 0.2936 0.3780 0.3949 0.2238 0.3219 0.3236 0.6775 0.3474 0.4971 0.4388 0.3953 0.7756 0.4269 0.6362 0.8634 0.5630 0.3101 0.3092 0.4446 0.8823 1.4813 2.0255 2.0565 2.7321 1.0958 2.3789 0.5670 0.6772 1.3922 3.0036 0.5149 2.7653 0.5865 2.1786 1.4017 0.7077 0.6979 0.7574 1.2102 1.3035 2.1027 0.9660 0.8342 5.3199 0.9541 2.1890 2.4204 1.2835 2.4047 0.9966 1.8022 1.9206 1.6494 1.6389 1.9008 2.4200 1.8721 1.9764 1.4223 4.1042 2.4825 3.3754 2.0492 1.2462 2.0271 2.1928 1.6246 5.2674 1.6016 1.4788 1.4674 1.5303 4.1513 1.3344 1.6794 1.4157 1.8668 1.7530 1.9135 1.8677 2.0706 2.1585 3.7730 1.9217 1.8417 1.9265 2.4779 1.6858 1.7001 1.6809 1.6982 3.7767 1.6597 1.7835 1.7381 1.6836 1.7021 1.7727 1.7148 3.9068 3.2273 16.0542 7.6509 11.9871 10.2578 21.7023 21.8387 6.2974 6.4650 6.3531 6.3888 6.3140 6.6386 6.2822 6.4081 6.3423 6.5764 6.7162 6.7424 6.8029 6.9069 6.8784 6.9124 6.9597 6.9815 6.9926 7.0243 7.0050 7.3161 7.4330 7.4874 7.5495 9.4381 9.4908
0.0136 0.1497 0.0928 0.4832 0.2705 2.3239 0.2552 0.5821 0.7992 3.2871 3.2679 3.6123 1.0082 0.3311 2.6257 2.8557 3.9716 7.6369 3.5941 5.9547 2.4039 2.1754 1.5390 0.0056 0.3375 10.3896 14.8709 1.1418 5.6084 14.4110 6.0742 7.3014 7.3079 4.1044 12.0586 0.8348 0.9388 1.4468 5.9313 18.0445 18.5469 71.7073 64.4281 44.5110 8.2251 54.1770 2.6855 17.3205 10.9510 26.2784 2.0099 4.0614 6.8358 2.0322 1.7522 1.3899 5.6762 4.1882 34.4756 34.3934 1.6626 19.0209 34.5650 6.1176 0.1493 2.7378 1.6621 0.8803 33.8187 0.0518 1.8189 15.8227 6.8934 11.9488 0.2780 2.3501 0.9431 3.2051 3.4074 10.6730 80.1259 9.1901 1.5255 0.2683 25.2192 57.4850 18.4355 4.8059 2.6666 136.5507 103.3385 1.9905 8.6916 15.1972 11.4438 0.3030 1.3676 231.0232 1.5721 4.3128 0.4461 134.8762 14.6014 133.3264 13.5387 0.8403 18.5057 15.2248 1.7539 8.0312 4.8087 15.9100 5.5048 3.6841 0.9347 1.3419 124.4332 5.1558 20.7125 2.1689 9.4538 3.0605 3.6932 3.4809 86.4831 528.1734 21.6160 567.8492 173.6010 26.7376 358.5716 63.1120 15.3395 23.7277 46.0829 18.7236 49.2684 6.9699 28.7358 17.3404 34.2037 31.3502 30.6438 12.3927 18.3456 65.0870 62.0276 63.1344 76.8232 40.7897 50.3235 36.1287 13.6321 12.1060 2.7464 3.2274 1.2737 74.0539 61.4879
7.6462 0.8114 1.9743 0.9120 1.1443 0.1934 0.4306 0.4755 0.4463 0.3538 0.1413 0.0069 0.1847 0.0334 0.0873 0.2733 0.9162 0.3753 0.3984 0.5263 0.4222 0.1959 0.3688 0.0225 0.3181 0.1482 0.4180 1.7407 0.7822 0.4768 1.8807 1.9205 1.6710 1.3251 1.4805 0.3642 1.7784 1.9215 1.3487 6.0152 0.5220 2.3285 0.9296 1.1127 1.4814 1.1430 7.5044 6.7101 3.6565 7.0463 3.0527 1.5373 1.8038 3.2125 19.0935 0.3991 4.1517 0.3608 1.7664 3.0791 0.8032 1.4014 1.0071 8.7212 8.5052 6.3138 2.0943 0.5333 27.9077 3.4529 1.3564 15.1104 5.0557 8.4102 1.1370 3.1601 3.1342 15.9588 4.6021 5.7914 27.7651 5.3166 16.4911 2.8990 82.5750 12.1272 17.9738 4.6777 46.7386 3.1414 1.4850 0.4138 137.1470 0.2740 4.4049 6.2663 17.7018 0.9297 27.8348 17.8671 1.8650 2.4153 2.0291 3.2717 6.7601 2.0458 1.6669 43.0247 2.1468 1.1434 2.4376 1.2534 7.1121 37.9595 19.0261 4.5405 177.8756 19.9265 41.0357 3.7564 6.6288 18.9970 0.5520 13.4919 0.9353 13.9083 507.0796 217.5307 244.0570 750.2774 6.0894 21.5760 37.1584 53.0062 20.2867 31.5538 85.0320 112.1291 225.0256 47.0576 202.2172 23.7468 43.3780 65.6683 75.2308 34.9546 89.6464 105.7993 11.2234 95.1398 46.8342 25.8074 31.2716 35.6029 78.1583 91.9338 86.0395 82.0742 21.4166
0.7500 0.7438 0.7493 0.7479 0.7498 0.6942 0.7127 0.7499 0.6096 0.6342 0.7377 0.5942 0.6163 0.6002 0.5667 0.4022 0.0290 0.1227 0.1443 0.1015 0.1945 0.7482 0.7062 0.6225 0.2228 0.6163 0.3224 0.7497 0.7380 0.4277 0.2929 0.4714 0.1591 0.7358 0.0465 0.2938 0.6421 0.6927 0.4227 0.3098 0.7216 0.4007 0.5208 0.5061 0.0969 0.7459 0.6627 0.7335 0.5270 0.0619 0.2625 0.3755 0.3894 0.7500 0.1163 0.5077 0.5821 0.6911 0.0933 0.3878 0.2572 0.7491 0.7488 0.4248 0.6400 0.6991 0.7471 0.6036 0.1398 0.7479 0.4646 0.2300 0.2821 0.1927 0.7159 0.4052 0.4552 0.7066 0.7016 0.7456 0.1490 0.3380 0.2340 0.5159 0.3989 0.3542 0.5632 0.3503 0.2254 0.6398 0.3179 0.7407 0.2896 0.6043 0.7436 0.7500 0.6484 0.5408 0.7449 0.5491 0.7492 0.2626 0.7131 0.7484 0.5802 0.6936 0.4119 0.3131 0.6966 0.6426 0.5829 0.3552 0.7466 0.7237 0.6794 0.6597 0.2644 0.7499 0.5751 0.7379 0.6213 0.7444 0.7495 0.7260 0.7267 0.5306 0.3121 0.3180 0.3021 0.3849 0.7434 0.1808 0.1492 0.5710 0.4627 0.2350 0.1847 0.7489 0.0170 0.1978 0.0362 0.1271 0.5800 0.4901 0.6485 0.7497 0.4211 0.5998 0.5175 0.7159 0.7264 0.5886 0.1634 0.4880 0.4475 0.2161 0.1686 0.1855 0.1328
0.8571 0.8531 0.8567 0.8558 0.8570 0.8195 0.8323 0.8571 0.7575 0.7762 0.8490 0.7455 0.7626 0.7502 0.7234 0.5737 0.0564 0.2186 0.2522 0.1843 0.3256 0.8560 0.8278 0.7673 0.3644 0.7626 0.4876 0.8569 0.8492 0.5991 0.4531 0.6408 0.2746 0.8478 0.0890 0.4542 0.7820 0.8184 0.5942 0.4730 0.8383 0.5721 0.6849 0.6721 0.1767 0.8544 0.7971 0.8462 0.6902 0.1167 0.4158 0.5460 0.5605 0.8571 0.2084 0.6735 0.7359 0.8174 0.1707 0.5589 0.4092 0.8566 0.8564 0.5963 0.7805 0.8229 0.8552 0.7528 0.2454 0.8558 0.6344 0.3739 0.4401 0.3231 0.8344 0.5767 0.6256 0.8281 0.8246 0.8542 0.2594 0.5052 0.3793 0.6807 0.5703 0.5231 0.7206 0.5188 0.3679 0.7803 0.4824 0.8510 0.4492 0.7533 0.8529 0.8571 0.7867 0.7020 0.8538 0.7089 0.8566 0.4160 0.8325 0.8561 0.7343 0.8191 0.5835 0.4769 0.8212 0.7824 0.7365 0.5242 0.8549 0.8397 0.8091 0.7949 0.4182 0.8571 0.7303 0.8492 0.7664 0.8535 0.8568 0.8412 0.8417 0.6934 0.4757 0.4825 0.4640 0.5558 0.8528 0.3062 0.2596 0.7269 0.6327 0.3805 0.3118 0.8564 0.0334 0.3303 0.0698 0.2256 0.7342 0.6578 0.7868 0.8569 0.5927 0.7498 0.6820 0.8345 0.8416 0.7410 0.2809 0.6559 0.6184 0.3554 0.2885 0.3129 0.2345
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
6 6 6 6 6 6 8 7 6 1 6 1 6 6 6 6 8 7 6 7 7 6 16 6 6 6 6 6 6 17 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 12.00000 12.00000 15.99491 14.00307 12.00000 1.00783 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 14.00307 14.00307 12.00000 31.97207 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 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
6746.2616 42469.6684 47129.4846
0.99991 -0.01370 0.00102 0.01370 0.99987 0.00798 -0.00113 -0.00796 0.99997
1
0.01284 0.00204 0.00184
0.26752 0.04249 0.03829
1.07 11.16 26.61 39.35 41.14 49.07 68.91 73.51 88.37 95.78 126.43 138.15 156.97 169.29 179.99 199.38 208.79 220.50 261.66 281.14 319.40 343.18 371.06 378.95 382.70 412.59 418.07 438.09 444.97 503.62 539.34 557.10 597.15 631.32 642.87 654.74 667.83 679.33 748.15 784.12 808.34 835.46 881.00 915.33 953.43 988.52 989.95 997.45 1019.03 1057.28 1091.65 1124.81 1133.09 1142.85 1153.23 1192.41 1219.77 1239.45 1269.83 1326.52 1340.57 1347.69 1373.46 1392.20 1412.25 1502.69 1516.40 1527.93 1549.86 1561.12 1568.70 1581.93 1597.34 1604.77 1605.71 1610.24 1631.63 1640.30 1699.81 1727.68 1739.93 1751.95 1773.46 1787.88 1796.55 1827.71 1869.78 1870.57 1886.77 1889.96 1924.68 1934.45 2008.93 2014.07 2022.96 2038.22 2061.29 2089.07 2093.22 2093.85 2099.80 2119.01 2128.88 2153.58 2195.37 2210.45 2232.62 2242.31 2255.06 2260.35 2264.45 2269.45 2323.49 2351.82 2353.29 2353.53 2357.34 2365.70 2366.30 2369.55 2370.05 2378.13 2383.93 2391.53 2405.18 2459.16 2492.76 2526.48 2555.09 2600.31 2806.90 2828.81 4569.69 4581.18 4592.31 4597.63 4600.05 4600.32 4601.64 4612.01 4625.58 4629.53 4640.45 4650.32 4666.22 4688.85 4690.63 4694.09 4710.65 4715.87 4719.31 4740.03 4757.77 4854.17 4891.34 4900.53 4920.65 5544.48 5561.68
0.486718
0.515042
0.515986
0.417642
-1997.144820
-1997.116496
-1997.115551
-1997.213895
3.298474D-04
MUNgauss
RevisionA2.0
retrievium
30-Jul-2020
DUDE CCCCCC(=O)N[C@H]([C@@H](C)CC)C(=O)Nc1nnc(s1)c2ccc(cc2)Cl C04408537
RHF
6-31G(d)
(6D,10F)
C1
422.154326
|X|Y|Z|
149.527154 58.300505 27.435174
62.072614
11
|36.858105|
|12.466211|36.858105|
|7.471984|12.453520|36.858105|
|4.864084|7.469450|12.456309|36.858105|
|3.743890|4.873126|7.503606|12.476959|36.858105|
|2.968548|3.740669|4.882968|7.492341|12.547986|36.858105|
|2.844395|3.626465|4.398443|6.741798|7.956303|15.862443|73.516695|
|2.542061|3.042359|3.849634|5.086083|7.860917|13.996588|15.070084|53.358707|
|2.156081|2.526753|3.025602|3.817145|5.034815|7.763793|12.141029|17.979266|36.858105|
|2.151712|2.548033|2.992790|3.847686|4.798164|7.650092|14.464231|12.705509|17.634780|0.500000|
|1.960424|2.264673|2.637324|3.219934|3.968049|5.401039|8.948680|10.356703|12.266426|0.244860|36.858105|
|1.778571|2.031066|2.321735|2.776876|3.312394|4.328809|7.514111|7.630605|8.900538|0.212573|17.493204|0.500000|
|1.914099|2.168284|2.540086|2.979252|3.697654|4.520685|7.048928|8.644438|7.448887|0.152128|12.428459|0.247896|36.858105|
|2.019596|2.363518|2.694131|3.342289|3.875544|5.214631|9.368595|8.349170|7.441315|0.194614|12.394224|0.248075|7.547103|36.858105|
|1.948811|2.292686|2.542342|3.169584|3.483411|4.676771|9.498726|6.680681|6.020230|0.191973|7.357640|0.193039|4.868758|12.454001|36.858105|
|1.977418|2.256812|2.684516|3.207125|4.157933|5.447659|8.553303|10.778507|12.488891|0.248713|7.525583|0.198272|6.202630|4.889674|4.257944|36.858105|
|2.012505|2.264996|2.732025|3.164372|4.187672|4.992382|7.453641|9.630268|7.940555|0.168039|5.687862|0.145797|5.594965|4.019448|3.456301|15.897183|73.516695|
|1.768041|1.998186|2.308361|2.710960|3.304269|4.177974|7.131727|7.163923|7.812844|0.204377|6.096443|0.191677|4.919260|4.294244|4.059719|13.967383|15.106044|53.358707|
|1.615551|1.794148|2.048484|2.333456|2.777502|3.297378|5.630088|5.371455|5.055971|0.134213|4.350540|0.135649|3.897350|3.312706|3.172386|7.789087|12.041716|18.785732|36.858105|
|1.482497|1.637772|1.836910|2.076180|2.397519|2.811135|4.943997|4.391192|4.034653|0.112457|3.676684|0.117606|3.275953|2.960392|2.945238|5.321296|8.306666|11.278112|14.961892|53.358707|
|1.380261|1.505711|1.677800|1.859464|2.123301|2.408244|4.201927|3.697731|3.215295|0.088428|2.977206|0.092312|2.778307|2.468024|2.437159|4.109360|6.957117|7.428408|8.696274|19.076344|53.358707|
|1.406690|1.525086|1.711846|1.877663|2.165396|2.410348|4.117245|3.730766|3.150152|0.084309|2.879287|0.086736|2.780055|2.367459|2.283305|4.140921|7.510479|6.937128|8.057405|11.749146|20.366676|36.858105|
|1.590839|1.737873|1.994363|2.207473|2.637666|2.959044|4.891067|4.774761|4.037365|0.103163|3.518518|0.103063|3.451033|2.761316|2.575133|5.956147|11.884726|9.366485|11.003183|10.202458|10.215004|10.886787|388.023441|
|1.305287|1.398116|1.556163|1.677446|1.906737|2.068901|3.532163|3.141436|2.559961|0.068609|2.378788|0.070455|2.347938|2.012104|1.941597|3.197865|5.945417|4.994433|4.974728|7.171677|10.713702|12.893668|47.570649|36.858105|
|1.203206|1.284771|1.413569|1.519145|1.699203|1.840566|3.185484|2.751438|2.239373|0.060953|2.115844|0.063056|2.071846|1.829563|1.791904|2.692532|4.874009|4.218641|3.995723|6.159131|9.078769|7.692177|32.931393|13.669547|36.858105|
|1.128812|1.195511|1.307492|1.389967|1.540709|1.644930|2.844137|2.434252|1.944502|0.052881|1.849400|0.054490|1.830839|1.623519|1.588285|2.285527|4.178297|3.469461|3.126297|4.640244|6.121569|5.078222|25.769540|7.907037|13.803730|36.858105|
|1.135778|1.195666|1.310688|1.381222|1.533829|1.616671|2.769360|2.392149|1.880073|0.050660|1.781880|0.051823|1.789425|1.564400|1.515138|2.209176|4.128474|3.262819|2.888713|4.094179|5.141265|4.484886|24.934193|6.876346|7.976891|13.751581|36.858105|
|1.218775|1.283452|1.419558|1.494206|1.677807|1.760865|2.981587|2.628724|2.052468|0.054662|1.925696|0.055555|1.953557|1.670258|1.598989|2.455798|4.705308|3.572149|3.187758|4.337768|5.367501|5.045562|29.617159|7.898892|6.868669|7.916085|13.798864|36.858105|
|1.313899|1.395837|1.558356|1.658449|1.888839|2.007933|3.383276|3.042867|2.409993|0.063759|2.233318|0.064761|2.255588|1.897994|1.808194|2.985418|5.776482|4.411167|4.131878|5.508973|7.061090|7.604404|42.444823|13.719636|7.948139|6.880582|7.986525|13.757728|36.858105|
|1.045275|1.091549|1.186676|1.238505|1.359551|1.417176|2.433864|2.073500|1.608593|0.043476|1.536703|0.044377|1.550014|1.371269|1.331221|1.844696|3.437693|2.677882|2.285808|3.217426|3.840396|3.181184|19.001174|4.222868|4.775327|7.038599|10.943329|7.047333|4.775745|448.794386|
|17.549801|8.773954|5.454373|4.039682|3.170423|2.625780|4.570288|3.089237|1.964485|0.054867|1.805442|0.045878|1.755955|1.874570|1.830498|1.804665|3.241422|2.223545|1.499479|1.888740|1.763165|1.314596|10.459545|1.224105|1.135342|1.068100|1.072672|1.145103|1.229098|7.958038|0.500000|
|17.534677|8.772831|6.768872|4.494402|3.630115|2.869385|4.798339|3.415212|2.120363|0.058018|1.952123|0.049029|1.937192|2.009315|1.910328|1.946904|3.546930|2.358001|1.585168|1.975277|1.842810|1.384550|11.165942|1.287623|1.185307|1.113949|1.124012|1.208488|1.301064|8.317118|0.301708|0.500000|
|17.535553|8.773490|6.768768|4.495833|3.630488|2.874802|4.864311|3.382196|2.115052|0.058579|1.902370|0.048191|1.859784|1.928342|1.861917|1.973373|3.603502|2.406235|1.628219|2.031663|1.901365|1.430721|11.511858|1.332784|1.226523|1.153046|1.164115|1.252106|1.347715|8.608633|0.301718|0.301672|0.500000|
|8.860402|17.513501|8.860562|6.870923|4.543805|3.650037|6.402883|4.061679|2.500334|0.070152|2.289164|0.056882|2.189218|2.446967|2.378662|2.196409|3.875357|2.656143|1.743267|2.174983|1.993023|1.474989|11.897955|1.350062|1.244967|1.157889|1.154465|1.234912|1.342271|8.467905|0.212773|0.210635|0.172936|0.500000|
|8.859715|17.515890|8.862387|6.877164|4.545194|3.661497|6.561443|4.007266|2.491889|0.071147|2.210784|0.055597|2.080229|2.305943|2.287866|2.234485|3.949210|2.725266|1.800655|2.250447|2.067192|1.530811|12.316442|1.402031|1.292647|1.201674|1.197739|1.281244|1.393325|8.773982|0.212731|0.172924|0.210653|0.304056|0.500000|
|6.880348|8.862685|17.492506|8.848630|6.894995|4.565604|7.241331|5.042614|2.941470|0.080676|2.518919|0.062246|2.434564|2.504232|2.370793|2.696978|4.966848|3.162658|2.086951|2.539531|2.335550|1.764327|14.669656|1.610436|1.457379|1.350276|1.359580|1.478820|1.622890|9.878699|0.140539|0.169239|0.204089|0.173784|0.211854|0.500000|
|6.879558|8.862415|17.491508|8.839419|6.892852|4.544527|7.031064|5.153467|2.955845|0.079244|2.637203|0.064073|2.615114|2.688475|2.472661|2.631076|4.822756|3.056261|1.999146|2.432657|2.230210|1.680405|13.977752|1.533066|1.390069|1.289039|1.297260|1.408838|1.543772|9.447842|0.140533|0.204070|0.169202|0.211835|0.173801|0.303803|0.500000|
|4.528583|6.850555|8.840667|17.536481|8.881140|6.856879|11.745738|6.584777|3.734652|0.104954|3.296634|0.078439|3.038173|3.597438|3.414458|3.044883|5.240315|3.540049|2.227042|2.720491|2.428976|1.787917|14.798721|1.597394|1.455482|1.332578|1.319504|1.419918|1.571677|9.522508|0.108480|0.119416|0.111139|0.206727|0.171143|0.173472|0.210990|0.500000|
|4.524537|6.838752|8.830482|17.575287|8.897027|6.938069|12.820107|6.365025|3.708747|0.108417|3.076395|0.075206|2.767104|3.190946|3.162137|3.150275|5.430014|3.710080|2.351237|2.873299|2.567507|1.890495|15.632670|1.685855|1.533568|1.400784|1.385472|1.491927|1.655760|9.965500|0.108381|0.111045|0.119366|0.170752|0.206437|0.211006|0.173330|0.304879|0.500000|
|3.652499|4.531264|6.863836|8.819673|17.496401|9.022032|11.405102|9.312900|4.688705|0.124143|3.604365|0.085998|3.400890|3.371909|3.081412|4.218351|7.887357|4.570162|2.881822|3.358009|3.002089|2.278361|19.971627|2.012093|1.779084|1.613829|1.615558|1.780233|2.009962|11.463752|0.085553|0.097369|0.102827|0.111960|0.120439|0.207242|0.171226|0.173518|0.211426|0.500000|
|3.644340|4.521595|6.839273|8.800710|17.529011|8.914646|10.670752|10.127162|4.764392|0.119488|3.990863|0.091243|3.963673|3.878316|3.323542|3.989297|7.362510|4.274753|2.667435|3.126611|2.791191|2.108164|18.347912|1.868702|1.662050|1.513321|1.514809|1.662922|1.866671|10.810855|0.085402|0.102569|0.097149|0.120217|0.111811|0.170646|0.206216|0.211017|0.173583|0.304062|0.500000|
|2.544677|2.978046|3.834385|4.754548|7.556739|9.385907|10.894772|26.031325|9.160198|0.183633|6.351889|0.136430|6.302667|5.005944|3.996642|7.586949|14.509000|6.718530|3.892293|4.266850|3.674002|2.793734|26.152618|2.373760|2.054714|1.825746|1.814162|2.017452|2.340627|12.615391|0.062595|0.070649|0.069760|0.080135|0.078862|0.104807|0.107876|0.122458|0.118147|0.198764|0.223555|0.500000|
|2.089081|2.375691|2.829369|3.316896|4.198582|4.945932|7.362345|9.415891|6.656664|0.138963|8.772491|0.173726|17.558374|6.883015|4.477964|5.362927|9.196751|5.647353|3.375182|3.888851|3.369926|2.509383|22.127850|2.160591|1.910591|1.708271|1.685893|1.845962|2.109744|11.836422|0.052798|0.059276|0.056040|0.066875|0.062364|0.074445|0.082520|0.094710|0.083108|0.104467|0.131596|0.200983|0.500000|
|1.769048|1.984368|2.276138|2.622823|3.120976|3.692227|5.989732|6.449323|5.452075|0.123132|8.821143|0.216457|17.564267|6.902411|4.612999|4.754370|7.721039|5.635516|3.441211|4.098030|3.530814|2.570761|21.782070|2.204312|1.974586|1.756525|1.711814|1.850810|2.112094|11.993230|0.045476|0.049903|0.047578|0.056129|0.052905|0.060366|0.065306|0.075314|0.068058|0.079879|0.092724|0.129581|0.302204|0.500000|
|1.841219|2.060681|2.420620|2.783246|3.483142|4.126776|6.374910|7.904926|6.822577|0.139331|8.698587|0.210404|17.562584|5.465049|4.007797|6.986180|12.117894|7.408310|4.446192|4.911940|4.195080|3.155380|29.014821|2.638494|2.283568|2.004276|1.968443|2.176533|2.549465|13.537398|0.046854|0.051753|0.050228|0.057069|0.055063|0.065669|0.069166|0.076981|0.072302|0.092471|0.103317|0.172906|0.301504|0.302238|0.500000|
|1.871462|2.154121|2.417543|2.898785|3.280372|4.099179|7.259236|6.448638|5.482996|0.141548|8.943476|0.212577|7.261673|17.527453|8.893689|4.091578|6.226730|5.060935|2.999017|3.717217|3.154147|2.224579|18.126346|1.913773|1.753524|1.565436|1.509155|1.604321|1.809388|10.679519|0.048568|0.052144|0.049546|0.062329|0.058060|0.062476|0.067904|0.087037|0.076458|0.080473|0.093420|0.115353|0.181429|0.219445|0.145049|0.500000|
|2.251966|2.678226|3.095354|3.937062|4.579310|6.164593|10.701509|9.347991|6.868760|0.176597|8.840416|0.174583|6.773765|17.545306|8.847252|4.509469|6.910588|5.173417|2.998127|3.621316|3.077534|2.203171|18.422052|1.896339|1.720829|1.539815|1.496515|1.604247|1.812748|10.595703|0.057629|0.062494|0.059106|0.077871|0.071639|0.078191|0.086530|0.121631|0.101324|0.105529|0.129716|0.153410|0.201874|0.166030|0.139237|0.304385|0.500000|
|1.926806|2.263666|2.455922|3.022136|3.185331|4.048524|8.235755|5.528557|4.576259|0.140682|5.426550|0.142750|4.084234|8.824317|17.554611|3.445386|5.185320|4.488240|2.689084|3.451737|2.926060|2.023156|15.975791|1.750208|1.630477|1.459848|1.396103|1.466169|1.640021|9.942317|0.050713|0.052536|0.050685|0.066275|0.062697|0.062908|0.066534|0.092710|0.083631|0.077801|0.085170|0.094967|0.108339|0.111715|0.094497|0.218159|0.210746|0.500000|
|2.086761|2.494576|2.777922|3.568856|3.899154|5.505570|12.407161|7.330905|6.472160|0.235691|6.489913|0.166144|4.364396|8.734584|17.592036|4.467834|6.386794|5.752165|3.262445|4.096736|3.375353|2.325375|18.754669|1.971330|1.814208|1.605762|1.532646|1.620354|1.836223|10.793621|0.054299|0.056160|0.055509|0.071395|0.070084|0.072061|0.073499|0.105784|0.101680|0.095534|0.099212|0.117412|0.114625|0.110154|0.103712|0.173227|0.212696|0.303319|0.500000|
|1.767807|2.047261|2.253190|2.737384|3.010738|3.915097|7.768544|5.744425|5.445657|0.173491|6.761821|0.209447|4.567333|8.762105|17.516340|4.191832|5.975124|5.822078|3.369775|4.374136|3.568271|2.405635|18.889456|2.030086|1.887106|1.661527|1.569605|1.645426|1.864700|11.025813|0.046341|0.048129|0.047294|0.058498|0.057030|0.059250|0.060909|0.080178|0.076542|0.076234|0.080039|0.098808|0.111483|0.123902|0.108258|0.208777|0.172759|0.302287|0.300013|0.500000|
|1.728137|1.963167|2.237013|2.650969|3.145910|4.050165|7.276269|6.635170|7.428031|0.222294|6.238292|0.212093|4.646149|4.604718|4.639301|9.268628|10.830104|25.994493|9.515691|10.686290|6.883652|4.429723|37.357902|3.297023|2.897074|2.399213|2.228593|2.388545|2.881026|14.863872|0.044638|0.046864|0.047730|0.053677|0.054983|0.061929|0.060085|0.071663|0.074883|0.086992|0.082268|0.121362|0.108381|0.112329|0.133986|0.109804|0.109385|0.102319|0.134632|0.142294|0.500000|
|1.188099|1.273843|1.396120|1.509866|1.680902|1.839077|3.216590|2.740096|2.259753|0.062232|2.148830|0.064836|2.072500|1.867557|1.851588|2.688965|4.743947|4.317454|4.081786|6.730540|10.262814|7.154767|30.713423|8.925981|17.762744|8.940768|5.664605|4.953299|5.658132|31.615856|0.031218|0.032442|0.033537|0.034401|0.035705|0.039803|0.038021|0.040357|0.042515|0.048566|0.045473|0.056174|0.052734|0.055132|0.062838|0.049747|0.048424|0.046769|0.052024|0.054724|0.084286|0.500000|
|1.068367|1.129669|1.227463|1.303031|1.432169|1.527922|2.659529|2.244005|1.790585|0.049029|1.715841|0.050633|1.691723|1.523955|1.501946|2.068392|3.739345|3.136997|2.764739|4.155199|5.309341|4.131757|21.814451|5.629921|8.922517|17.751188|8.919948|5.643110|4.958605|53.813345|0.028184|0.029266|0.030274|0.030461|0.031595|0.035122|0.033585|0.034826|0.036554|0.041481|0.039039|0.046483|0.043918|0.045391|0.050938|0.040974|0.040135|0.038565|0.042118|0.043760|0.061201|0.214903|0.500000|
|1.214260|1.270684|1.405308|1.466053|1.643179|1.703118|2.868007|2.532797|1.947386|0.051633|1.828169|0.052193|1.873475|1.594713|1.518625|2.305255|4.471320|3.275916|2.842590|3.787591|4.489062|4.103574|26.246990|5.628428|4.952573|5.639743|8.929221|17.753429|8.904759|53.813976|0.031669|0.033536|0.034743|0.033895|0.035134|0.040790|0.038886|0.038633|0.040505|0.048573|0.045472|0.054398|0.049677|0.049314|0.057899|0.042625|0.042866|0.038846|0.042743|0.043107|0.060826|0.107577|0.124222|0.500000|
|1.397982|1.485473|1.674274|1.778755|2.051001|2.166312|3.599067|3.315263|2.594516|0.067635|2.376087|0.068008|2.430888|1.997778|1.878746|3.270583|6.574696|4.682421|4.321631|5.408523|6.471005|6.957024|48.916557|8.871364|5.636561|4.956455|5.685098|8.991983|17.720984|31.716877|0.036135|0.038543|0.039912|0.039547|0.041020|0.048634|0.046232|0.046571|0.049041|0.061112|0.056583|0.071967|0.063555|0.062487|0.077341|0.052671|0.053341|0.047175|0.053091|0.053335|0.083001|0.124023|0.107629|0.216842|0.500000|
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