Version2.1
2021-01-07T06:02:22Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
30-Nov-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE c1ccc2c(c1)CCC[C@H]2NC(=O)CSc3nc4ccccc4c(=O)n3Cc5cccnc5 C17743553
RHF
6-31G(d)
(6D,7F)
c1ccc2c(c1)CCC[C@H]2NC(=O)CSc3nc4ccccc4c(=O)n3Cc5cccnc5
C01[X(C26H24N4O2S1)]
165
C1
547
O=C(N[C@@H]1CCCc2c1cccc2)CSc1nc2ccccc2c(=O)n1Cc1cccnc1
O=C(N[C@@H]1CCCc2c1cccc2)CSc1nc2ccccc2c(=O)n1Cc1cccnc1
O=C(CSC1=Nc2ccccc2C(=O)N1Cc3cccnc3)N[C@@H]4CCCc5ccccc45
InChIKey=RFDGGGYWDNMXQM-JOCHJYFZSA-N
InChI=1S/C26H24N4O2S/c31-24(28-22-13-5-9-19-8-1-2-10-20(19)22)17-33-26-29-23-12-4-3-11-21(23)25(32)30(26)16-18-7-6-14-27-15-18/h1-4,6-8,10-12,14-15,22H,5,9,13,16-17H2,(H,28,31)/t22-/m1/s1
InChI=1/C26H24N4O2S/c31-24(28-22-13-5-9-19-8-1-2-10-20(19)22)17-33-26-29-23-12-4-3-11-21(23)25(32)30(26)16-18-7-6-14-27-15-18/h1-4,6-8,10-12,14-15,22H,5,9,13,16-17H2,(H,28,31)/t22-/m1/s1/f/h28H
c1ccc2c(c1)CCC[C@H]2NC(=O)CSc3nc4ccccc4c(=O)n3Cc5cccnc5
C01[X(C26H24N4O2S1)]
165
C01
547
O=C(N[C@@H]1CCCc2c1cccc2)CSc1nc2ccccc2c(=O)n1Cc1cccnc1
O=C(N[C@@H]1CCC[C]2[C]1[CH][CH][CH][CH]2)CSC1=N[C]2[CH][CH][CH][CH][C]2C(=O)N1C[C]1[CH][CH][CH][N][CH]1
O=C(CSC1=N[C]2[CH][CH][CH][CH][C]2C(=O)N1C[C]3[CH][CH][CH][N][CH]3)N[C@@H]4CCC[C]5[CH][CH][CH][CH][C]45
InChIKey=RFDGGGYWDNMXQM-JOCHJYFZSA-N
InChI=1S/C26H24N4O2S/c31-24(28-22-13-5-9-19-8-1-2-10-20(19)22)17-33-26-29-23-12-4-3-11-21(23)25(32)30(26)16-18-7-6-14-27-15-18/h1-4,6-8,10-12,14-15,22H,5,9,13,16-17H2,(H,28,31)/t22-/m1/s1
InChI=1/C26H24N4O2S/c31-24(28-22-13-5-9-19-8-1-2-10-20(19)22)17-33-26-29-23-12-4-3-11-21(23)25(32)30(26)16-18-7-6-14-27-15-18/h1-4,6-8,10-12,14-15,22H,5,9,13,16-17H2,(H,28,31)/t22-/m1/s1/f/h28H
3263.1266528405
-1763.6532853
1-A
22680.3418
120
427
547
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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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10.94243
5.8418 -3.5775 -0.3280
6.8580
|XX|YY|ZZ|XY|XZ|YZ|
-207.8158 -186.4754 -198.2676 2.6900 3.8737 -3.4470
|XX|YY|ZZ|XY|XZ|YZ|
-10.2962 11.0442 -0.7480 2.6900 3.8737 -3.4470
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
355.8953 -21.7941 -4.5951 -65.7263 -109.9146 -40.3882 45.8688 1.5342 25.9097 27.1692
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-23505.6019 -5242.0208 -1949.2855 397.5555 69.4799 231.0016 -11.3033 151.5695 -13.0903 -4872.5096 -4216.1571 -1330.4641 -259.0295 -97.7474 -57.2339
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|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
6.8398 15.2878 21.7441 27.1820 34.5376 41.0094 52.8257 62.4700 70.4689 99.9989 103.7330 116.6323 126.8681 138.3578 158.2279 173.9675 211.7316 233.4084 242.3525 269.8233 293.9171 317.7423 323.8054 327.1002 329.9887 368.8954 415.1784 423.6134 452.4818 465.8177 466.5249 479.5088 481.5015 492.1419 492.7429 517.3731 536.3335 555.3864 587.1776 588.3187 597.6391 641.9037 650.6749 658.2677 663.1505 664.3164 688.7348 703.3205 742.7143 746.7942 772.5204 782.2292 791.7798 799.3778 837.6259 852.2547 869.5724 872.6808 877.4031 892.2235 894.0197 916.8253 929.2281 939.1005 961.1673 971.4626 992.4459 996.2332 1010.0640 1025.5445 1051.7878 1056.5881 1082.2278 1086.3040 1097.3386 1101.2491 1106.3235 1118.2070 1120.5389 1122.1387 1130.4466 1130.5849 1131.0780 1135.4929 1148.6220 1156.5822 1190.4856 1191.1073 1208.5180 1210.3379 1216.3087 1229.2595 1237.4558 1252.9890 1275.3877 1289.8144 1295.4348 1295.7514 1311.9387 1316.1740 1325.1702 1328.5703 1335.7369 1348.6299 1362.6993 1364.5399 1375.5901 1386.4472 1420.9812 1433.6764 1442.2201 1452.5767 1486.8145 1489.6155 1503.1593 1515.1419 1517.1081 1520.5676 1542.5241 1545.8423 1595.8303 1600.4075 1619.5586 1628.3338 1629.6508 1639.6132 1650.3940 1651.4268 1651.8437 1657.3124 1665.4177 1704.0533 1764.9832 1777.4904 1789.7250 1796.0144 1811.3079 1813.0676 1814.4464 1934.8035 1947.8856 3184.3778 3190.8552 3200.9324 3237.3385 3247.7101 3257.0776 3273.8974 3274.7960 3294.9413 3327.6789 3348.2811 3356.1457 3361.9753 3365.2044 3365.6933 3376.2414 3377.6383 3384.9252 3388.1919 3396.6736 3398.5696 3399.2699 3412.8128 3861.0481
5.9696 5.0118 5.8226 5.2340 6.5483 5.4116 6.1154 6.1036 4.3614 3.7963 4.5775 5.9942 3.3815 6.2939 3.9208 6.7180 4.1464 5.0821 5.3545 7.2972 4.7454 2.0258 6.4168 5.0276 7.0920 5.5470 5.8863 5.8269 3.3363 2.3533 2.9713 3.1564 3.0523 2.7832 2.9420 2.0987 3.2895 5.3579 6.7704 3.5788 5.2910 2.5697 3.5692 7.4460 2.6588 5.1716 6.4701 6.5573 7.6134 5.5336 4.9492 2.8561 3.3775 3.1397 2.1467 1.9465 1.9074 2.1948 2.6471 4.5001 3.0970 4.1922 2.5841 1.7636 3.8185 1.9208 1.5094 1.4578 2.1320 1.9431 2.5250 3.1616 1.3475 1.4158 2.5819 1.8318 1.3536 3.1447 3.5281 1.3274 1.3350 2.5769 2.5004 1.5047 2.4102 2.5316 2.7327 3.3845 2.3721 2.6140 2.1781 1.8435 2.0062 1.8374 1.2567 2.2407 1.2339 1.4842 1.9075 1.9781 1.7545 1.6852 2.1853 1.4896 2.5108 1.6147 2.5899 1.3314 1.3163 2.1408 3.5927 1.3698 1.3151 1.6256 1.7360 1.3676 1.4844 1.5121 1.5219 1.4619 2.2782 1.0932 2.2585 2.5395 1.1184 1.0897 1.4215 1.3494 1.4023 2.0520 2.3439 1.9359 7.7090 6.1680 4.9836 9.5754 5.4471 5.4058 5.7734 11.9379 9.8279 1.0706 1.0730 1.0641 1.0924 1.1026 1.0915 1.0870 1.0625 1.0665 1.1067 1.0882 1.1019 1.0897 1.0890 1.0887 1.0939 1.0926 1.0925 1.0980 1.0952 1.0960 1.0963 1.0956 1.0787
0.0002 0.0007 0.0016 0.0023 0.0046 0.0054 0.0101 0.0140 0.0128 0.0224 0.0290 0.0480 0.0321 0.0710 0.0578 0.1198 0.1095 0.1631 0.1853 0.3130 0.2415 0.1205 0.3964 0.3169 0.4550 0.4448 0.5978 0.6161 0.4025 0.3009 0.3810 0.4276 0.4169 0.3972 0.4208 0.3310 0.5575 0.9737 1.3753 0.7298 1.1134 0.6238 0.8903 1.9010 0.6889 1.3447 1.8083 1.9111 2.4744 1.8183 1.7402 1.0297 1.2476 1.1821 0.8874 0.8330 0.8498 0.9848 1.2007 2.1107 1.4584 2.0762 1.3146 0.9164 2.0784 1.0680 0.8759 0.8524 1.2815 1.2041 1.6457 2.0795 0.9298 0.9844 1.8318 1.3089 0.9761 2.3167 2.6100 0.9848 1.0051 1.9407 1.8847 1.1431 1.8735 1.9953 2.2819 2.8291 2.0412 2.2562 1.8985 1.6413 1.8100 1.6996 1.2044 2.1963 1.2200 1.4682 1.9344 2.0190 1.8153 1.7526 2.2972 1.5963 2.7470 1.7714 2.8875 1.5078 1.5660 2.5926 4.4028 1.7029 1.7128 2.1253 2.3111 1.8498 2.0130 2.0598 2.1336 2.0582 3.4184 1.6498 3.4903 3.9673 1.7499 1.7260 2.2813 2.1683 2.2544 3.3208 3.8303 3.3121 14.1492 11.4817 9.4052 18.1981 10.5292 10.4698 11.1988 26.3301 21.9704 6.3965 6.4366 6.4240 6.7455 6.8520 6.8222 6.8646 6.7133 6.8219 7.2206 7.1879 7.3128 7.2569 7.2663 7.2663 7.3465 7.3440 7.3753 7.4269 7.4445 7.4585 7.4639 7.5183 9.4750
0.0320 0.4010 0.8638 0.8170 2.0265 0.7879 1.9797 2.5476 0.5913 2.3752 2.1350 5.1328 7.2211 1.0400 0.0548 0.5428 2.4186 3.1574 3.2150 17.9153 1.0695 0.7887 0.9057 3.2043 7.6314 5.9833 2.1563 3.5342 0.9600 11.3085 3.0390 2.9363 1.2140 28.8114 15.7960 64.1010 5.4139 2.1905 13.1415 5.8546 9.5756 14.3105 4.3783 1.4808 1.8643 5.1900 11.6195 12.8243 0.5362 13.5833 7.5633 21.3648 4.4790 44.7247 27.3164 20.8599 51.3606 45.0452 9.7871 1.8677 10.7875 23.0353 3.8546 5.7044 2.5584 1.4952 4.8223 0.2504 0.8534 8.4223 44.2965 14.6950 0.4753 0.6676 1.8402 0.6124 1.1391 11.4649 3.1593 0.1623 0.1597 14.0404 2.0838 3.3621 2.9556 1.3147 2.7637 11.3349 18.0288 1.7898 6.7545 6.5489 2.0456 107.7095 1.3239 31.7001 1.4830 0.4861 135.4734 1.5368 242.1769 5.2089 1.2129 6.7038 47.7135 2.6983 49.2447 2.7884 6.9894 4.4518 75.8101 1.9592 9.3158 102.7058 29.8377 39.8931 8.7784 7.9922 2.0179 47.5055 51.0230 30.6085 10.6193 0.6832 2.9130 3.1148 51.4222 80.9961 60.5433 24.6881 24.2416 652.0210 348.1496 1.2809 15.6487 495.7417 0.9547 20.8422 123.0612 515.6288 274.6259 22.6588 22.4771 37.8665 53.9644 61.8524 30.1895 14.3824 16.7241 15.2756 0.4662 10.0130 2.6054 7.4397 14.0124 7.4055 40.3403 27.2585 21.4109 25.3337 22.7359 14.4366 2.8039 7.6466 31.1753
2.1142 4.9277 2.3180 5.1653 7.0343 2.1398 1.9870 1.7640 4.0397 0.6603 1.4859 3.2946 1.1050 2.0791 1.4515 1.2473 3.4062 4.9600 1.2767 1.3705 1.2505 0.8397 2.6293 0.7786 0.9669 1.6277 1.3048 2.0754 1.1731 1.0201 1.9930 2.9798 1.6783 1.1656 0.5966 0.9372 1.4745 3.9420 4.1771 0.1483 6.1398 1.2507 2.7161 1.7605 0.6981 1.3019 5.7680 3.3152 1.8590 5.9687 9.8911 0.8076 4.2315 2.5525 5.9074 5.6971 0.8020 2.9725 4.5232 30.4363 1.5046 9.9544 0.8435 3.1841 3.7202 2.9922 2.9807 2.1813 1.3724 1.3105 3.2090 10.0703 0.6696 0.7641 3.6398 2.3325 0.1490 14.6116 4.5223 0.1067 0.4865 21.9367 12.5829 2.8601 12.2878 20.6013 7.6165 6.0669 10.1757 4.8678 6.9772 3.5339 1.9897 4.2471 4.1248 8.8221 3.7400 9.0511 25.6946 6.7054 12.4859 7.8833 5.7500 5.6243 26.4367 8.7483 3.3956 6.0744 5.3973 45.8180 101.4621 1.7798 6.3992 16.3483 4.7713 10.4101 8.8859 2.3419 6.4906 13.8580 1.4059 7.2371 0.5731 3.2551 19.9633 17.7640 9.1957 18.0770 23.7116 4.1748 1.3841 10.4496 199.4220 9.3928 7.8003 57.1638 24.0224 26.0246 76.8752 17.5964 5.4821 72.4589 118.7822 40.2373 125.0735 122.6087 59.6874 93.7045 23.7339 64.1202 23.2619 59.5728 42.0489 109.2947 108.1954 77.3320 65.9656 52.1853 157.4218 235.6267 28.4031 116.0733 201.8535 134.6020 27.0628
0.7490 0.7491 0.7451 0.7490 0.7206 0.7489 0.7373 0.7427 0.7320 0.7465 0.6939 0.7438 0.7009 0.3267 0.7399 0.7463 0.7402 0.5866 0.4014 0.7018 0.6046 0.4855 0.7464 0.7024 0.2724 0.4425 0.5216 0.1235 0.5954 0.5202 0.6616 0.2875 0.2331 0.6821 0.1708 0.4258 0.2181 0.7047 0.4821 0.7210 0.1303 0.7294 0.3573 0.6983 0.7194 0.7283 0.5641 0.6113 0.6851 0.1995 0.1277 0.4768 0.2946 0.2804 0.2117 0.2354 0.2683 0.3134 0.2673 0.2279 0.3071 0.1421 0.3357 0.5470 0.7219 0.5096 0.7493 0.6342 0.6037 0.7333 0.3277 0.1495 0.6956 0.7223 0.2168 0.2072 0.7395 0.0592 0.5503 0.6231 0.7040 0.1045 0.3205 0.3533 0.2076 0.1153 0.7381 0.6532 0.7467 0.3966 0.1018 0.6476 0.7091 0.7064 0.5879 0.4714 0.7400 0.7500 0.2237 0.3432 0.3346 0.5610 0.5049 0.7437 0.3913 0.2784 0.3610 0.7342 0.7003 0.2265 0.1962 0.0694 0.7495 0.7479 0.4186 0.6455 0.3341 0.5305 0.4286 0.5021 0.3127 0.4426 0.6150 0.1295 0.6946 0.7436 0.7031 0.4298 0.2615 0.6071 0.7471 0.2824 0.3037 0.5777 0.5481 0.1195 0.7203 0.5714 0.5976 0.1225 0.3177 0.2074 0.1787 0.4205 0.3189 0.4493 0.5417 0.0865 0.1584 0.0449 0.7500 0.5210 0.4526 0.6362 0.4814 0.6897 0.5292 0.7338 0.4313 0.1081 0.1610 0.1444 0.1511 0.1710 0.1428
0.8565 0.8566 0.8540 0.8565 0.8376 0.8564 0.8488 0.8523 0.8453 0.8549 0.8193 0.8531 0.8241 0.4925 0.8505 0.8547 0.8507 0.7395 0.5729 0.8248 0.7536 0.6537 0.8548 0.8252 0.4282 0.6135 0.6856 0.2199 0.7464 0.6843 0.7964 0.4466 0.3781 0.8110 0.2918 0.5973 0.3582 0.8268 0.6506 0.8379 0.2306 0.8435 0.5265 0.8223 0.8368 0.8428 0.7213 0.7588 0.8131 0.3326 0.2265 0.6457 0.4551 0.4379 0.3494 0.3811 0.4230 0.4773 0.4218 0.3712 0.4699 0.2489 0.5026 0.7072 0.8385 0.6752 0.8567 0.7761 0.7528 0.8461 0.4936 0.2601 0.8205 0.8387 0.3563 0.3433 0.8503 0.1117 0.7099 0.7678 0.8263 0.1893 0.4854 0.5221 0.3438 0.2067 0.8493 0.7902 0.8550 0.5679 0.1848 0.7861 0.8298 0.8280 0.7405 0.6408 0.8506 0.8571 0.3656 0.5110 0.5014 0.7188 0.6710 0.8530 0.5624 0.4355 0.5305 0.8468 0.8238 0.3693 0.3280 0.1298 0.8568 0.8558 0.5901 0.7846 0.5009 0.6932 0.6000 0.6685 0.4764 0.6136 0.7616 0.2293 0.8198 0.8530 0.8257 0.6012 0.4146 0.7556 0.8552 0.4404 0.4660 0.7323 0.7081 0.2135 0.8374 0.7273 0.7482 0.2183 0.4822 0.3436 0.3033 0.5921 0.4836 0.6200 0.7027 0.1591 0.2735 0.0860 0.8571 0.6851 0.6231 0.7777 0.6499 0.8163 0.6921 0.8465 0.6027 0.1951 0.2774 0.2523 0.2626 0.2921 0.2499
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 6 6 6 6 6 6 1 7 6 8 6 16 6 7 6 6 6 6 6 6 6 8 7 6 6 6 6 6 7 6 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 12.00000 12.00000 12.00000 12.00000 1.00783 14.00307 12.00000 15.99491 12.00000 31.97207 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 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
9991.6668 33775.5164 39017.3301
0.99999 -0.00013 -0.00337 0.00011 0.99998 -0.00624 0.00337 0.00623 0.99997
1
0.00867 0.00256 0.00222
0.18062 0.05343 0.04625
9.84 22.00 31.28 39.11 49.69 59.00 76.00 89.88 101.39 143.88 149.25 167.81 182.53 199.07 227.65 250.30 304.63 335.82 348.69 388.22 422.88 457.16 465.88 470.62 474.78 530.76 597.35 609.49 651.02 670.21 671.23 689.91 692.77 708.08 708.95 744.38 771.66 799.08 844.82 846.46 859.87 923.56 936.18 947.10 954.13 955.80 990.94 1011.92 1068.60 1074.47 1111.48 1125.45 1139.19 1150.13 1205.16 1226.20 1251.12 1255.59 1262.39 1283.71 1286.29 1319.11 1336.95 1351.16 1382.91 1397.72 1427.91 1433.36 1453.26 1475.53 1513.29 1520.19 1557.08 1562.95 1578.83 1584.45 1591.75 1608.85 1612.21 1614.51 1626.46 1626.66 1627.37 1633.72 1652.61 1664.06 1712.84 1713.74 1738.79 1741.41 1750.00 1768.63 1780.42 1802.77 1835.00 1855.76 1863.84 1864.30 1887.59 1893.68 1906.62 1911.52 1921.83 1940.38 1960.62 1963.27 1979.17 1994.79 2044.48 2062.74 2075.03 2089.93 2139.19 2143.22 2162.71 2179.95 2182.78 2187.76 2219.35 2224.12 2296.04 2302.63 2330.18 2342.81 2344.70 2359.04 2374.55 2376.03 2376.63 2384.50 2396.16 2451.75 2539.42 2557.41 2575.02 2584.06 2606.07 2608.60 2610.58 2783.75 2802.57 4581.61 4590.93 4605.43 4657.81 4672.73 4686.21 4710.41 4711.70 4740.69 4787.79 4817.43 4828.75 4837.13 4841.78 4842.48 4857.66 4859.67 4870.15 4874.85 4887.06 4889.78 4890.79 4910.28 5555.19
0.492732
0.518755
0.519699
0.430418
-1763.160554
-1763.134531
-1763.133586
-1763.222868
2.994533D-04
MUNgauss
RevisionA2.0
retrievium
07-Jan-2021
DUDE c1ccc2c(c1)CCC[C@H]2NC(=O)CSc3nc4ccccc4c(=O)n3Cc5cccnc5 C17743553
RHF
6-31G(d)
(6D,10F)
C1
456.161998
|X|Y|Z|
130.214822 65.154898 38.461011
68.845580
31
|36.858105|
|13.733398|36.858105|
|7.968421|13.804571|36.858105|
|6.827627|7.872767|13.656461|36.858105|
|7.871280|6.823137|7.922969|13.664223|36.858105|
|13.808667|7.970343|6.935187|7.933218|13.667862|36.858105|
|5.019842|4.420405|4.992148|7.475326|12.547288|7.588617|36.858105|
|3.860330|3.719137|4.464324|6.602573|7.518847|5.008090|12.480879|36.858105|
|3.712041|3.843386|4.973909|7.483551|6.624675|4.468120|7.635205|12.496562|36.858105|
|4.413564|5.004060|7.546197|12.477225|7.477084|4.991657|6.361078|7.580782|12.449922|36.858105|
|4.009981|4.576651|6.592071|8.935635|6.089510|4.403617|5.376222|6.715395|8.934426|17.603682|0.500000|
|3.802037|4.521667|6.625121|7.772721|5.198852|3.985452|4.488229|5.012503|7.729791|13.068722|0.259831|53.358707|
|3.056649|3.583982|4.811157|5.190287|3.877806|3.146411|3.538787|4.085439|5.835186|7.725109|0.207646|19.220227|36.858105|
|2.799978|3.215593|4.181974|4.573026|3.562687|2.908260|3.357638|4.041243|5.483552|6.758051|0.215760|11.525731|15.872337|73.516695|
|2.680672|3.129983|3.935954|3.974231|3.150804|2.691226|2.889305|3.180544|4.219790|5.018027|0.131285|10.782611|12.521783|14.161202|36.858105|
|2.190570|2.503401|3.001722|3.013397|2.505489|2.194052|2.360504|2.626415|3.276093|3.677573|0.103385|6.544727|7.016159|11.915850|10.533253|388.023441|
|1.975502|2.237245|2.584844|2.542332|2.173570|1.955232|2.046916|2.206835|2.669513|2.925828|0.079866|5.048842|4.636197|7.490428|6.973619|76.402244|36.858105|
|2.059821|2.336930|2.680522|2.611295|2.237209|2.026632|2.088807|2.209580|2.677238|2.938504|0.077990|5.148073|4.444512|6.787377|6.882344|51.420039|15.003929|53.358707|
|1.856390|2.077589|2.316154|2.245457|1.970599|1.818237|1.850350|1.929893|2.276988|2.454334|0.065169|4.111096|3.375223|5.315593|4.620731|34.475795|8.344724|18.764415|36.858105|
|1.878418|2.089257|2.290321|2.206992|1.959760|1.830402|1.832955|1.876679|2.193151|2.352136|0.061498|3.891687|3.042647|4.732424|3.981504|26.943433|5.364253|10.808143|13.610206|36.858105|
|1.683411|1.848168|1.988001|1.917149|1.732764|1.638692|1.632093|1.660761|1.902298|2.015766|0.053063|3.232543|2.495827|3.977740|3.097021|21.572287|4.070773|7.099834|7.946105|13.876294|36.858105|
|1.523319|1.664902|1.787438|1.730787|1.571486|1.486907|1.491024|1.528370|1.735949|1.829603|0.048804|2.893412|2.266964|3.697699|2.766804|20.351912|3.873138|6.217824|6.831842|7.890235|13.601475|36.858105|
|1.510999|1.658245|1.798374|1.747780|1.576111|1.479762|1.499383|1.555304|1.774762|1.874368|0.050513|2.976399|2.390458|3.948406|2.950151|22.992202|4.624695|7.018252|7.865508|6.838570|7.951136|13.887043|36.858105|
|1.649997|1.829302|2.017767|1.963770|1.744673|1.619124|1.653851|1.732273|2.009336|2.141933|0.057801|3.479644|2.870966|4.704772|3.707232|30.145011|6.999945|10.725381|13.728934|7.924137|6.910395|7.951065|13.621860|36.858105|
|1.599660|1.773408|1.969869|1.929592|1.709790|1.577016|1.630056|1.730994|2.005359|2.135918|0.058663|3.441563|2.924745|4.951216|3.712139|33.844081|7.907431|9.193177|7.760919|5.096335|4.515379|5.099341|7.675557|13.027565|36.858105|
|1.459976|1.605879|1.766573|1.734069|1.552969|1.440743|1.489393|1.580821|1.804903|1.906445|0.052751|3.002427|2.521517|4.358411|3.056356|27.435628|5.437081|6.449850|5.335434|4.008270|3.812518|4.518707|6.690398|8.092002|15.864869|73.516695|
|1.738683|1.944375|2.201731|2.167690|1.891005|1.720877|1.799402|1.937849|2.282223|2.456539|0.068074|4.035682|3.590492|6.134792|4.720049|50.520578|13.812153|11.034669|6.986054|4.616734|3.835415|3.962295|5.141604|7.896470|13.655796|14.987470|53.358707|
|1.645018|1.828499|2.067829|2.052275|1.800882|1.636423|1.728833|1.883927|2.191399|2.341932|0.066390|3.734566|3.353504|6.071274|4.056362|45.437061|7.588101|7.012604|4.530993|3.399520|2.969575|3.103534|3.869423|5.062139|7.797972|12.609524|17.548962|36.858105|
|1.639624|1.834951|2.061721|2.012644|1.761578|1.614283|1.673187|1.811463|2.077421|2.263660|0.065259|3.553152|3.155333|5.817335|3.654731|38.431121|5.689283|5.771867|3.786464|2.982853|2.649805|2.759538|3.341563|4.132602|5.692456|9.847422|10.290102|12.569992|36.858105|
|1.708143|1.917751|2.169845|2.121325|1.846387|1.684070|1.751355|1.913446|2.185165|2.405238|0.070994|3.717317|3.341926|6.441711|3.656478|37.876070|4.721293|4.978420|3.177781|2.604483|2.309148|2.349815|2.734308|3.288612|4.127415|7.042857|7.258088|7.522633|13.753166|36.858105|
|1.655341|1.858458|2.072077|1.999076|1.751771|1.617648|1.651371|1.784990|1.999718|2.216093|0.065890|3.347323|2.908040|5.583974|3.080328|28.698918|3.676492|4.142152|2.724568|2.308811|2.084104|2.122676|2.424071|2.813719|3.375042|5.897562|5.467299|5.018777|7.965028|13.755571|36.858105|
|1.551153|1.736603|1.905115|1.820003|1.609096|1.504423|1.512401|1.611951|1.791486|1.977995|0.057969|2.983670|2.525735|4.703568|2.723722|24.330263|3.374561|3.920170|2.678063|2.289074|2.104794|2.177292|2.495497|2.833085|3.378579|6.079634|5.149991|4.501515|7.009961|8.026530|13.792852|36.858105|
|1.499108|1.674048|1.830001|1.749280|1.551628|1.453823|1.460817|1.549259|1.729435|1.895884|0.054721|2.892389|2.437651|4.439201|2.712417|24.340443|3.643729|4.236982|2.983345|2.512873|2.333983|2.467735|2.897643|3.279672|4.026097|7.489153|5.873880|5.054034|7.959460|6.892502|8.006071|14.405358|53.358707|
|1.536788|1.715826|1.894415|1.826849|1.614037|1.499871|1.526244|1.628219|1.841003|2.006531|0.057469|3.112874|2.668348|4.824047|3.066259|29.033622|4.601701|5.098793|3.576995|2.887150|2.645752|2.825413|3.444696|4.064778|5.447650|10.230948|8.164250|7.512721|13.671187|8.034926|7.052958|8.412748|19.667576|36.858105|
|17.714084|8.892505|5.654966|4.928188|5.617700|8.932383|4.102997|3.236695|3.085404|3.533255|0.091181|4.283510|2.621412|4.313893|2.357127|14.002329|1.804633|2.564547|1.721862|1.753533|1.589600|1.443136|1.425032|1.541751|1.491258|2.433700|2.185120|1.521089|1.521457|1.579235|1.541202|1.456549|1.920203|1.438875|0.500000|
|8.890919|17.715846|8.933941|5.618337|4.926012|5.655595|3.537715|3.090517|3.221814|4.091061|0.107316|5.346558|3.271181|5.247579|2.963979|17.207118|2.201319|3.139878|2.071769|2.092444|1.861403|1.678231|1.666901|1.830064|1.768389|2.852408|2.620662|1.806239|1.831267|1.908509|1.868671|1.763997|2.316829|1.731494|0.213772|0.500000|
|5.664516|8.963137|17.723281|8.917440|5.643282|4.984751|4.069728|3.906390|4.563413|7.058352|0.182731|10.014481|5.592090|8.416419|4.599879|24.452206|2.918151|4.104232|2.559144|2.498327|2.140910|1.923248|1.948881|2.213073|2.167549|3.428025|3.336392|2.289732|2.303032|2.433805|2.320440|2.123959|2.768956|2.107572|0.124352|0.216290|0.500000|
|8.953511|5.661264|4.982382|5.647395|8.927673|17.694145|7.110449|4.605505|3.915606|4.071803|0.102075|4.535239|2.721402|4.537932|2.368332|14.026376|1.776462|2.502514|1.667841|1.684777|1.523591|1.388734|1.378747|1.497028|1.458404|2.383209|2.150485|1.508392|1.485302|1.545164|1.487577|1.389033|1.830589|1.385568|0.215993|0.124280|0.108032|0.500000|
|4.748971|4.001274|4.245807|5.693208|8.909968|7.150679|17.549090|8.819288|5.536981|4.866027|0.123511|4.945487|3.000997|5.180179|2.502194|14.976666|1.843536|2.548151|1.676709|1.662177|1.495472|1.375588|1.382962|1.514275|1.497213|2.450958|2.235294|1.590014|1.549417|1.625957|1.547070|1.422205|1.864931|1.422224|0.112630|0.091019|0.097709|0.214369|0.500000|
|4.550751|3.992675|4.388404|6.085667|8.917554|6.540802|17.496698|8.880750|6.750474|5.391370|0.123594|5.699191|3.323536|5.491750|2.809244|16.240308|2.018265|2.836582|1.860717|1.863232|1.663242|1.511504|1.509408|1.657127|1.618843|2.626683|2.413333|1.688910|1.619287|1.675745|1.572843|1.449503|1.921398|1.481759|0.106694|0.090812|0.101756|0.180982|0.304237|0.500000|
|3.740144|3.647767|4.357205|6.129685|6.621144|4.696542|8.838526|17.513111|8.859429|6.998135|0.201912|6.299626|3.946927|7.285724|3.036558|18.355892|2.143507|2.881188|1.848987|1.782857|1.583289|1.468534|1.503323|1.674783|1.690280|2.758881|2.585405|1.871541|1.822366|1.951484|1.836023|1.648041|2.134879|1.636600|0.087786|0.085068|0.107487|0.119833|0.217069|0.174160|0.500000|
|3.250221|3.098839|3.579166|4.846178|5.501785|4.107021|8.839440|17.551032|8.821591|5.507916|0.140266|5.622865|3.549308|6.317522|2.871570|17.320305|2.074436|2.821622|1.829002|1.780797|1.588151|1.468632|1.494018|1.654528|1.655597|2.703159|2.506666|1.798236|1.716446|1.803532|1.678794|1.520348|1.996338|1.544789|0.078251|0.073482|0.089302|0.110456|0.208415|0.219319|0.303237|0.500000|
|3.101353|3.248957|4.102748|5.506634|4.864127|3.587603|5.520559|8.779170|17.567223|8.903262|0.222841|9.435572|6.158984|11.184060|4.383352|25.199190|2.805013|3.742217|2.319945|2.195618|1.903229|1.753456|1.812513|2.065710|2.092115|3.353176|3.279638|2.346443|2.202686|2.330860|2.106251|1.865418|2.445175|1.925039|0.073530|0.078185|0.110121|0.089562|0.123250|0.140320|0.209228|0.213779|0.500000|
|3.615638|3.696703|4.633244|6.574194|6.132573|4.334688|7.069307|8.868891|17.499702|8.858205|0.175200|9.832991|5.377026|8.416508|4.224491|22.741320|2.695266|3.766033|2.368440|2.316015|2.003474|1.809129|1.832178|2.067412|2.032119|3.236064|3.115020|2.159112|2.019618|2.086146|1.900347|1.720758|2.287763|1.800276|0.084359|0.086755|0.117964|0.107149|0.141956|0.204494|0.173712|0.210004|0.302431|0.500000|
|3.911924|4.658066|6.564278|7.208515|5.079952|4.034807|4.311537|4.494644|6.497638|9.022903|0.181715|26.037306|9.402038|10.863223|7.628560|31.796826|3.717485|5.424540|3.208034|3.122610|2.564828|2.249693|2.278749|2.652676|2.555060|3.934275|4.002154|2.648694|2.497596|2.552754|2.305043|2.092191|2.800147|2.220748|0.090303|0.113136|0.197783|0.093740|0.096914|0.116985|0.111865|0.105618|0.156880|0.193001|0.500000|
|2.579760|2.937198|3.610220|3.751333|3.074411|2.627353|2.885825|3.162645|4.228076|4.665419|0.116886|9.562404|8.860696|11.008750|17.623408|56.444951|6.588505|9.786110|4.905366|4.337728|3.319017|2.909712|3.057909|3.822576|3.697050|5.388229|6.160020|3.787957|3.285676|3.194894|2.705551|2.437324|3.357004|2.803984|0.063337|0.076720|0.111907|0.064933|0.069050|0.079939|0.081739|0.080808|0.121972|0.124224|0.208277|0.500000|
|2.813632|3.374449|4.206555|3.984955|3.133755|2.743703|2.782912|2.951485|3.777699|4.657621|0.121078|9.717770|8.845546|10.894590|17.633403|56.455689|6.614051|9.851410|4.915724|4.350666|3.322315|2.908480|3.054624|3.819908|3.693190|5.380112|6.164072|3.787006|3.546650|3.507908|3.044351|2.756501|3.761567|3.083006|0.068938|0.090751|0.142254|0.066560|0.067379|0.075229|0.078546|0.073493|0.104408|0.105745|0.209459|0.303530|0.500000|
|2.063617|2.304899|2.532601|2.431211|2.149266|2.006251|1.992912|2.021029|2.380091|2.568444|0.066046|4.307864|3.276872|4.965192|4.297728|26.761772|4.924805|9.959034|8.923431|17.741968|8.900808|5.609554|4.936120|5.652673|4.152458|5.965575|5.487886|3.084379|2.751219|2.473089|2.208240|2.165054|3.169441|2.628882|0.053282|0.063937|0.076612|0.051033|0.049831|0.056603|0.052872|0.052974|0.065314|0.070690|0.098886|0.133186|0.134003|0.500000|
|1.669385|1.819820|1.933597|1.861399|1.699032|1.621226|1.599546|1.610399|1.828546|1.929403|0.050514|3.056654|2.310446|3.679237|2.794945|18.951934|3.383799|5.740625|5.649658|8.984198|17.712538|8.882531|5.659798|4.971008|3.598127|5.593449|4.312235|2.549875|2.315431|2.058286|1.882516|1.901532|2.836411|2.316588|0.044052|0.051033|0.057281|0.042049|0.040820|0.045541|0.042507|0.042850|0.050389|0.053797|0.067895|0.083391|0.083501|0.214696|0.500000|
|1.419692|1.540201|1.637588|1.586776|1.454339|1.385402|1.384547|1.413132|1.587894|1.664109|0.044477|2.592759|2.011698|3.309591|2.395261|17.546554|3.189078|4.944134|4.931689|5.632606|8.861491|17.730522|8.952333|5.644202|4.134838|6.919936|4.488769|2.704178|2.448755|2.110716|1.934171|1.998873|3.074657|2.538606|0.037589|0.043217|0.048586|0.036142|0.035681|0.039047|0.037771|0.037862|0.044465|0.045931|0.055836|0.069670|0.069627|0.123651|0.214515|0.500000|
|1.402847|1.531930|1.654264|1.611967|1.462113|1.376023|1.397728|1.453239|1.643850|1.727598|0.046916|2.705420|2.175482|3.653591|2.621228|20.856500|4.009323|5.700982|5.632858|4.937146|5.633391|8.908691|17.751715|8.929716|7.127852|13.266255|6.406479|3.785466|3.310445|2.684378|2.399665|2.506155|4.023119|3.511351|0.036874|0.042800|0.049607|0.035757|0.036008|0.038991|0.039212|0.038923|0.046817|0.046862|0.056943|0.074651|0.074537|0.107292|0.123949|0.213664|0.500000|
|1.697913|1.881697|2.151673|2.169614|1.899016|1.705800|1.839272|2.036104|2.390733|2.530114|0.072199|4.031698|3.717333|6.931005|4.400272|52.858297|7.148378|6.637299|4.092091|3.162203|2.737609|2.793610|3.357231|4.292028|5.859337|9.389281|12.425349|17.647690|8.886257|7.263388|4.761866|4.020737|5.722802|5.580612|0.043361|0.051110|0.065934|0.043644|0.046830|0.049768|0.056273|0.054114|0.072394|0.064993|0.078095|0.113916|0.108577|0.081816|0.066266|0.068140|0.090185|0.500000|
|1.511039|1.662587|1.858834|1.852463|1.648126|1.506856|1.594895|1.731452|1.989198|2.092370|0.059051|3.277749|2.862762|5.175058|3.378231|34.188605|5.777479|5.940100|4.129384|3.179798|2.875531|3.100807|3.935992|4.898671|7.759219|15.092084|12.659948|17.695934|8.900508|5.851648|4.314120|4.065127|6.397085|6.825572|0.039041|0.045650|0.056485|0.038859|0.040974|0.043497|0.047702|0.046313|0.059080|0.054753|0.065083|0.090438|0.088247|0.079160|0.068754|0.076102|0.111602|0.304451|0.500000|
|1.783827|1.999297|2.292995|2.276846|1.971745|1.775988|1.883290|2.091085|2.409377|2.642042|0.078963|4.076076|3.770663|7.594345|3.999994|43.090584|4.737585|4.961632|3.079233|2.541441|2.231618|2.239393|2.572180|3.102236|3.803137|6.357586|6.847602|6.929535|8.894314|17.718705|8.915322|5.679860|6.754188|5.671824|0.045496|0.054648|0.071288|0.045178|0.048389|0.049821|0.059501|0.054729|0.072558|0.063237|0.076254|0.096033|0.102519|0.067971|0.055553|0.055857|0.069458|0.220809|0.149555|0.500000|
|1.679673|1.882835|2.097695|2.026821|1.779140|1.643082|1.677737|1.819382|2.018529|2.243365|0.067723|3.323007|2.863294|5.616672|2.918285|26.114399|3.216006|3.708342|2.430778|2.100667|1.900018|1.916602|2.151118|2.466812|2.873903|4.996117|4.602564|4.074247|5.645349|8.871930|17.736188|8.907472|7.759700|5.047214|0.043431|0.052508|0.065046|0.041985|0.043870|0.044059|0.052546|0.047432|0.059089|0.052713|0.062879|0.071020|0.079787|0.056543|0.048181|0.048825|0.058943|0.112579|0.099244|0.213442|0.500000|
|1.498648|1.672608|1.814807|1.725095|1.535579|1.447339|1.440970|1.526113|1.676701|1.851017|0.054347|2.752997|2.288025|4.254837|2.424159|20.766106|2.868346|3.431492|2.371603|2.073732|1.927902|1.989485|2.241598|2.489521|2.876742|5.195093|4.269344|3.589804|5.022429|5.672652|8.906724|17.705335|12.709659|5.913892|0.039311|0.047460|0.055914|0.037229|0.037865|0.038298|0.043506|0.039992|0.048204|0.044667|0.053725|0.060631|0.068645|0.054874|0.048918|0.051291|0.062691|0.091201|0.092298|0.124267|0.213790|0.500000|
|1.474318|1.638030|1.796514|1.734214|1.542233|1.439006|1.461865|1.550450|1.750551|1.892236|0.053577|2.939459|2.484664|4.415507|2.894841|26.561121|4.529649|5.182310|3.837108|3.078624|2.880983|3.179088|4.014317|4.643861|6.454674|13.375620|8.424418|6.951876|8.891511|5.681643|5.046600|5.915173|12.739653|17.729914|0.038479|0.045963|0.055162|0.037049|0.037846|0.039692|0.043001|0.041029|0.050646|0.048016|0.059009|0.075264|0.081331|0.076079|0.069285|0.079316|0.117330|0.140265|0.195142|0.124139|0.109159|0.129990|0.500000|
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