Version2.1
2021-01-18T21:12:23Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
10-Jan-2021
#N HF/6-31G(d) OPT=(MaxStep=1,RFO) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE Cc1ccc(cc1)C[NH2+]CCN(c2ccc(cc2)Cl)S(=O)(=O)c3ccc(c(c3)OC)OC C16292414
RHF
6-31G(d)
(6D,7F)
Cc1ccc(cc1)C[NH2+]CCN(c2ccc(cc2)Cl)S(=O)(=O)c3ccc(c(c3)OC)OC
C01[X(C24H28Cl1N2O4S1)]
174
C1
544
COc1cc(ccc1OC)S(=O)(=O)N(c1ccc(cc1)Cl)CC[NH2+]Cc1ccc(cc1)C
COc1cc(ccc1OC)S(=O)(=O)N(c1ccc(cc1)Cl)CC[NH2+]Cc1ccc(cc1)C
COc1ccc(cc1OC)[S](=O)(=O)N(CC[NH2+]Cc2ccc(C)cc2)c3ccc(Cl)cc3
InChIKey=LJYSRVXQOQYQGD-UHFFFAOYSA-O
InChI=1S/C24H27ClN2O4S/c1-18-4-6-19(7-5-18)17-26-14-15-27(21-10-8-20(25)9-11-21)32(28,29)22-12-13-23(30-2)24(16-22)31-3/h4-13,16,26H,14-15,17H2,1-3H3/p+1
InChI=1/C24H27ClN2O4S/c1-18-4-6-19(7-5-18)17-26-14-15-27(21-10-8-20(25)9-11-21)32(28,29)22-12-13-23(30-2)24(16-22)31-3/h4-13,16,26H,14-15,17H2,1-3H3/p+1/fC24H28ClN2O4S/h26H/q+1
Cc1ccc(cc1)C[NH2+]CCN(c2ccc(cc2)Cl)S(=O)(=O)c3ccc(c(c3)OC)OC
C01[X(C24H28Cl1N2O4S1)]
174
C01
544
COc1cc(ccc1OC)S(=O)(=O)N(c1ccc(cc1)Cl)CC[NH2+]Cc1ccc(cc1)C
CO[C]1[CH][C]([CH][CH][C]1OC)[S@@]([O])(=O)N([C]1[CH][CH][C]([CH][CH]1)Cl)CC[NH2]C[C]1[CH][CH][C]([CH][CH]1)C
CO[C]1[CH][CH][C]([CH][C]1OC)[S]([O])(=O)N(CC[NH2]C[C]2[CH][CH][C](C)[CH][CH]2)[C]3[CH][CH][C](Cl)[CH][CH]3
InChIKey=AYVWGNCNHWROCL-UHFFFAOYSA-N
InChI=1S/C24H28ClN2O4S/c1-18-4-6-19(7-5-18)17-26-14-15-27(21-10-8-20(25)9-11-21)32(28,29)22-12-13-23(30-2)24(16-22)31-3/h4-13,16H,14-15,17,26H2,1-3H3
InChI=1/C24H28ClN2O4S/c1-18-4-6-19(7-5-18)17-26-14-15-27(21-10-8-20(25)9-11-21)32(28,29)22-12-13-23(30-2)24(16-22)31-3/h4-13,16H,14-15,17,26H2,1-3H3
3597.9873117391
-2190.1886796
1-A
21471.8296
125
419
544
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11.19304
8.3002 -3.0783 -3.6743
9.5849
|XX|YY|ZZ|XY|XZ|YZ|
-105.2318 -168.8853 -184.1964 -26.1121 -13.3338 7.8756
|XX|YY|ZZ|XY|XZ|YZ|
47.5394 -16.1141 -31.4252 -26.1121 -13.3338 7.8756
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
378.4348 24.8524 -40.3149 0.4906 58.7192 92.7120 -32.7064 25.1222 12.5429 2.0042
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-16147.4591 -6157.5614 -1659.7557 -736.7847 308.5232 -392.7081 -28.4161 -20.0480 -72.3049 -3925.5023 -3523.2554 -1176.0930 374.0579 -212.7750 -69.7185
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475.14583
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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|A|A|A|A|A|A|A|A|A|
11.6830 15.9867 19.5134 21.6048 23.5700 28.3562 38.8430 47.5208 56.6519 73.0705 81.4363 83.5890 102.7842 124.3239 136.3560 144.5357 157.0765 186.0261 194.4211 204.4134 216.5682 231.0723 247.0130 267.5303 280.0456 286.9247 302.9653 306.7412 314.9180 324.7406 345.7075 367.6703 398.1132 409.2010 412.7868 417.9672 455.4465 463.4160 466.9536 470.7066 483.3653 513.6201 515.7695 537.7640 541.6364 587.5315 601.6149 613.3141 644.0846 656.7175 670.0371 691.0814 701.9681 714.0052 758.5436 782.8299 791.4822 799.4436 799.9978 820.7431 846.8478 873.5185 899.4931 906.3558 932.8849 935.2434 942.0266 947.2849 955.5058 973.1726 977.9995 995.5135 1027.6515 1051.5586 1079.7187 1083.0522 1088.7215 1095.0141 1107.8211 1109.8082 1114.6262 1115.1360 1119.1188 1149.7484 1161.1854 1176.4028 1176.7060 1189.1586 1192.7694 1193.8810 1205.3207 1211.0656 1213.0481 1235.7940 1260.2441 1267.8683 1291.8883 1292.2901 1294.5816 1299.9387 1311.0953 1317.0546 1322.6663 1329.9452 1336.8585 1341.6551 1351.3684 1354.5166 1404.6387 1408.5375 1432.2473 1434.1579 1446.3591 1469.5894 1480.9758 1485.9763 1491.9700 1542.5045 1557.5794 1557.9053 1568.5953 1571.5850 1574.5756 1578.4860 1621.9992 1628.1122 1630.3171 1631.7532 1635.1271 1636.5734 1640.7607 1649.0661 1651.1090 1651.6550 1653.7476 1656.5563 1671.4040 1693.3951 1700.8008 1767.7827 1771.6865 1775.3260 1784.2803 1799.8537 1818.0068 1833.5031 3205.2499 3213.0729 3213.8826 3224.1769 3268.2063 3272.1343 3273.3969 3278.7704 3295.5067 3297.6418 3326.7394 3332.6126 3348.3005 3350.4609 3350.7417 3351.8285 3356.9353 3378.5518 3382.7516 3393.4457 3397.1260 3412.0511 3413.2360 3417.0031 3428.7415 3430.6400 3523.8739 3713.0625
5.9989 4.6270 4.0862 3.5868 2.4127 1.6181 4.3923 5.1707 4.4453 3.7804 3.4197 4.0901 3.9015 6.9334 4.3186 5.0159 5.1905 3.3366 3.7683 2.9219 2.8925 2.9000 3.0452 1.4800 2.4272 2.2718 5.6238 2.5593 2.7594 4.3728 6.0567 5.5084 4.2591 3.3093 3.1884 4.5379 2.9769 4.3897 3.1237 4.3309 3.9540 7.0934 3.2932 4.1457 6.4327 5.8689 2.9345 3.6625 7.5237 4.1892 4.7402 7.0823 6.6915 6.5166 6.9357 3.3102 4.9502 3.6127 5.1772 4.0012 4.8063 1.2464 4.3732 1.7162 1.5244 1.8448 1.5923 1.2818 1.2549 1.4530 3.7271 1.8937 3.9486 3.4388 1.3731 1.8057 1.3612 1.4319 1.3925 1.4230 2.2000 3.1553 2.1856 6.4215 2.8670 1.6340 6.6070 2.4859 2.6159 2.0281 2.4276 2.1859 3.1725 5.4402 1.5660 3.0176 1.4191 1.2656 1.2668 1.1737 1.4659 2.3305 1.6218 1.4540 2.1078 2.3483 2.5618 3.1516 9.0841 4.6640 1.3050 1.4716 1.2958 1.2876 3.3891 1.2463 1.2036 1.2913 2.5355 1.1764 1.2622 2.9970 1.3216 2.0994 1.2579 1.2458 1.0562 1.0792 1.2584 1.1055 1.0931 1.1030 1.0481 1.0468 1.0563 1.0566 2.2981 2.4457 2.9330 6.6266 5.4582 5.3048 5.7660 5.4395 5.1896 1.0777 1.0359 1.0735 1.0383 1.0338 1.1071 1.0607 1.1013 1.0648 1.1087 1.1036 1.0943 1.1112 1.1008 1.0917 1.0921 1.1051 1.1031 1.0950 1.0950 1.0912 1.0913 1.0964 1.0969 1.0906 1.0915 1.0956 1.0711 1.0827
0.0005 0.0007 0.0009 0.0010 0.0008 0.0008 0.0039 0.0069 0.0084 0.0119 0.0134 0.0168 0.0243 0.0631 0.0473 0.0617 0.0755 0.0680 0.0839 0.0719 0.0799 0.0912 0.1095 0.0624 0.1122 0.1102 0.3041 0.1419 0.1612 0.2717 0.4265 0.4387 0.3977 0.3265 0.3201 0.4671 0.3638 0.5554 0.4013 0.5654 0.5443 1.1025 0.5162 0.7064 1.1119 1.1936 0.6258 0.8117 1.8389 1.0645 1.2539 1.9929 1.9427 1.9574 2.3513 1.1952 1.8271 1.3604 1.9522 1.5880 2.0308 0.5603 2.0847 0.8307 0.7816 0.9507 0.8325 0.6777 0.6750 0.8107 2.1004 1.1058 2.4569 2.2404 0.9431 1.2479 0.9506 1.0116 1.0069 1.0326 1.6104 2.3118 1.6128 5.0014 2.2777 1.3323 5.3900 2.0712 2.1927 1.7032 2.0780 1.8889 2.7505 4.8951 1.4654 2.8580 1.3955 1.2453 1.2508 1.1686 1.4847 2.3818 1.6717 1.5152 2.2195 2.4905 2.7565 3.4068 10.5599 5.4518 1.5772 1.7833 1.5972 1.6385 4.3796 1.6214 1.5785 1.8102 3.6242 1.6823 1.8298 4.3613 1.9305 3.0819 1.9498 1.9456 1.6541 1.6930 1.9824 1.7446 1.7339 1.7673 1.6835 1.6825 1.7021 1.7083 3.7825 4.1321 4.9989 12.2011 10.0941 9.8510 10.8157 10.3821 10.1059 2.1347 6.2704 6.5298 6.3189 6.3321 6.9674 6.6915 6.9528 6.7441 7.0943 7.0705 7.1352 7.2710 7.2710 7.2205 7.2240 7.3152 7.3242 7.3645 7.3825 7.4035 7.4203 7.5204 7.5293 7.5027 7.5607 7.5969 7.8367 8.7950
0.0328 0.5594 0.2665 0.1250 0.3943 0.3649 1.9660 1.0034 0.6400 2.8345 9.4760 2.9819 0.3015 0.6243 4.2147 3.2206 2.1447 1.0806 1.6473 11.7257 5.0665 1.3573 7.5818 3.9408 4.5326 0.8598 0.2126 2.3229 4.4251 9.1093 15.1233 11.7699 3.7585 1.3360 2.4063 7.0488 0.1789 0.2625 0.0683 17.2401 1.5503 15.0816 0.3708 17.8422 7.2627 7.5063 27.9285 52.8089 97.9482 9.6289 33.4722 47.9714 0.0536 17.5226 111.6462 4.2809 15.9993 12.3902 105.2453 8.4515 11.8032 25.3068 3.7496 55.0125 30.7144 2.6527 13.6304 1.1195 0.7615 27.0155 5.0327 66.9669 15.5072 65.4050 10.0578 32.6833 0.3278 0.3290 0.6230 4.5412 15.9939 42.7953 21.0989 76.3755 56.2383 11.7606 31.8565 49.1301 29.5913 0.3023 84.6102 86.4780 83.4556 640.7516 35.6576 6.2719 10.3058 2.9318 3.3874 4.5874 14.1401 1.6079 16.9866 6.5740 0.7051 22.3482 54.5513 59.5762 290.4443 200.6266 19.0814 44.0271 3.0644 5.5190 354.4410 3.9961 17.2854 3.8253 7.1472 17.0708 13.5543 101.3328 147.8983 6.8641 244.2473 68.2642 9.1820 53.2431 1.9967 10.8145 11.9049 23.8962 4.5346 10.4657 28.8418 35.6123 112.7947 12.3730 361.0914 0.4824 0.4146 74.2590 47.4219 9.8531 29.9505 26.9964 41.8127 19.2873 21.0672 39.4163 50.7960 3.9731 16.5152 16.6069 36.9305 16.9791 2.7238 3.0255 24.4402 12.5373 6.1920 9.1457 22.6463 10.7972 9.0277 4.7880 0.8462 1.2747 0.2219 3.0075 1.4650 3.7623 509.5413 84.9382
0.9848 0.5211 1.4994 4.3114 2.9892 3.5296 4.4248 4.1347 1.6930 2.1263 0.8814 0.9867 2.1982 0.2086 0.3810 0.4712 0.6449 0.5371 1.6450 1.8857 0.6017 1.7237 3.6165 0.7167 0.6479 0.8164 2.0428 1.5382 0.9263 2.8726 1.0076 2.3021 2.7735 1.8009 1.3445 3.1763 0.0273 1.7453 0.3969 0.2837 3.1688 1.0216 1.6344 1.9594 2.0967 1.1209 0.3056 1.9080 2.9385 5.3293 1.5260 4.3953 7.9990 6.4922 5.7450 2.1630 5.0088 1.0140 17.9868 1.1712 20.6315 3.9089 23.6264 6.4166 3.0355 1.0121 2.1965 1.7532 2.8478 1.9146 2.9662 3.7220 20.1016 1.3719 2.5362 3.2435 2.8568 3.9180 0.6632 0.4261 1.4589 1.2149 3.4017 5.5987 3.8600 0.5642 12.2532 9.4447 5.0782 1.4953 7.2380 6.8678 13.8768 48.4763 11.8897 1.2968 1.2708 4.2936 3.5579 5.7387 24.5508 8.6404 10.3265 10.9392 3.4336 4.6617 15.1564 9.7746 5.1663 8.7014 6.9438 2.9968 0.9942 1.8392 56.3046 10.8523 1.8266 0.7454 1.5103 19.7880 11.1677 13.7317 12.5067 2.8651 6.3658 11.2336 19.7958 3.0633 2.0460 13.5605 8.5988 19.0411 19.7275 24.3079 16.1313 9.5692 0.7655 1.8773 41.1520 3.8961 5.4230 93.9052 38.7764 60.3862 84.7488 13.7304 79.4421 51.3560 183.9741 103.8090 37.4286 17.3386 97.5278 121.9765 41.9897 65.5698 79.7945 22.5570 130.5625 40.4629 61.9695 62.4978 133.5224 68.8059 169.5396 25.9436 41.7161 20.4425 167.4986 33.5771 21.3612 104.6209 87.7499 19.5448
0.7497 0.7125 0.7322 0.7497 0.7393 0.7500 0.7167 0.7207 0.7288 0.7472 0.7428 0.7414 0.7248 0.3921 0.6422 0.3993 0.6337 0.7246 0.4721 0.4998 0.3477 0.2431 0.1557 0.7493 0.0577 0.6665 0.2228 0.7493 0.2681 0.5673 0.7422 0.7491 0.4266 0.3684 0.4949 0.4618 0.6793 0.1202 0.2741 0.7488 0.3995 0.4883 0.7423 0.6435 0.3295 0.7472 0.2549 0.7173 0.7440 0.3176 0.3976 0.5087 0.7270 0.3522 0.5718 0.2174 0.0699 0.1513 0.0315 0.7496 0.1087 0.3125 0.0728 0.2557 0.7296 0.6500 0.2942 0.6697 0.7366 0.7051 0.7434 0.6832 0.3171 0.7109 0.7409 0.6615 0.6325 0.7495 0.5059 0.6559 0.7125 0.5773 0.6426 0.7490 0.5766 0.2949 0.3430 0.3000 0.4591 0.3231 0.1795 0.2920 0.0346 0.2204 0.3573 0.7492 0.6866 0.7492 0.7435 0.0984 0.1339 0.1723 0.1427 0.4812 0.4341 0.2776 0.1345 0.1986 0.6883 0.1752 0.4051 0.2460 0.7455 0.7499 0.2214 0.5140 0.7295 0.7500 0.5685 0.5321 0.4711 0.3560 0.6302 0.5909 0.7378 0.7108 0.7430 0.5869 0.4147 0.7348 0.7110 0.6733 0.7477 0.7450 0.6201 0.5253 0.1181 0.3785 0.2822 0.7435 0.7493 0.5375 0.7477 0.4928 0.5128 0.4176 0.0360 0.1123 0.0517 0.0225 0.7101 0.1068 0.7498 0.1020 0.7422 0.7479 0.2715 0.7458 0.4578 0.3444 0.5472 0.7499 0.4805 0.2400 0.1944 0.6179 0.7469 0.4615 0.1505 0.6722 0.3397 0.1656 0.2348 0.4186
0.8570 0.8321 0.8454 0.8569 0.8501 0.8571 0.8350 0.8377 0.8431 0.8553 0.8524 0.8515 0.8404 0.5633 0.7821 0.5707 0.7758 0.8403 0.6414 0.6665 0.5160 0.3912 0.2695 0.8567 0.1092 0.7999 0.3644 0.8567 0.4228 0.7240 0.8520 0.8565 0.5980 0.5385 0.6621 0.6318 0.8090 0.2145 0.4303 0.8564 0.5709 0.6562 0.8521 0.7831 0.4957 0.8553 0.4062 0.8354 0.8532 0.4821 0.5689 0.6744 0.8419 0.5209 0.7276 0.3572 0.1306 0.2628 0.0612 0.8569 0.1962 0.4762 0.1356 0.4072 0.8437 0.7879 0.4546 0.8022 0.8483 0.8270 0.8528 0.8118 0.4815 0.8310 0.8512 0.7963 0.7749 0.8568 0.6719 0.7922 0.8321 0.7320 0.7824 0.8565 0.7314 0.4555 0.5108 0.4616 0.6293 0.4884 0.3044 0.4520 0.0669 0.3612 0.5264 0.8567 0.8142 0.8566 0.8529 0.1792 0.2362 0.2939 0.2498 0.6497 0.6054 0.4345 0.2372 0.3314 0.8154 0.2981 0.5766 0.3949 0.8542 0.8570 0.3626 0.6790 0.8436 0.8571 0.7249 0.6946 0.6405 0.5251 0.7732 0.7429 0.8491 0.8310 0.8525 0.7396 0.5863 0.8471 0.8311 0.8048 0.8557 0.8539 0.7655 0.6888 0.2113 0.5492 0.4402 0.8529 0.8567 0.6992 0.8556 0.6603 0.6780 0.5891 0.0696 0.2020 0.0982 0.0441 0.8305 0.1930 0.8570 0.1851 0.8520 0.8558 0.4271 0.8544 0.6281 0.5124 0.7074 0.8571 0.6491 0.3872 0.3256 0.7638 0.8551 0.6316 0.2616 0.8039 0.5071 0.2842 0.3803 0.5902
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 60
6 6 6 6 6 6 6 6 7 1 1 6 6 7 6 6 6 6 6 6 17 16 8 8 6 6 6 6 6 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 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 34.96885 31.97207 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 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
11015.2408 30298.5862 37116.2045
0.99987 -0.01616 0.00003 0.01616 0.99987 0.00248 -0.00007 -0.00248 1.00000
1
0.00786 0.00286 0.00233
0.16384 0.05957 0.04862
16.81 23.00 28.08 31.08 33.91 40.80 55.89 68.37 81.51 105.13 117.17 120.27 147.88 178.87 196.19 207.95 226.00 267.65 279.73 294.11 311.59 332.46 355.40 384.92 402.92 412.82 435.90 441.33 453.10 467.23 497.40 529.00 572.80 588.75 593.91 601.36 655.29 666.75 671.84 677.24 695.45 738.98 742.08 773.72 779.29 845.33 865.59 882.42 926.69 944.87 964.03 994.31 1009.98 1027.29 1091.38 1126.32 1138.77 1150.22 1151.02 1180.87 1218.43 1256.80 1294.17 1304.04 1342.21 1345.61 1355.37 1362.93 1374.76 1400.18 1407.12 1432.32 1478.56 1512.96 1553.47 1558.27 1566.43 1575.48 1593.91 1596.77 1603.70 1604.43 1610.16 1654.23 1670.69 1692.58 1693.02 1710.93 1716.13 1717.73 1734.19 1742.45 1745.31 1778.03 1813.21 1824.18 1858.74 1859.32 1862.61 1870.32 1886.37 1894.95 1903.02 1913.49 1923.44 1930.34 1944.32 1948.85 2020.96 2026.57 2060.68 2063.43 2080.99 2114.41 2130.79 2137.99 2146.61 2219.32 2241.01 2241.48 2256.86 2261.16 2265.46 2271.09 2333.70 2342.49 2345.66 2347.73 2352.58 2354.66 2360.69 2372.64 2375.58 2376.36 2379.37 2383.42 2404.78 2436.42 2447.07 2543.45 2549.06 2554.30 2567.18 2589.59 2615.71 2638.00 4611.64 4622.90 4624.06 4638.87 4702.22 4707.87 4709.69 4717.42 4741.50 4744.57 4786.44 4794.89 4817.46 4820.57 4820.97 4822.53 4829.88 4860.98 4867.03 4882.41 4887.71 4909.18 4910.89 4916.31 4933.19 4935.93 5070.07 5342.27
0.528028
0.557687
0.558631
0.460879
-2189.660651
-2189.630992
-2189.630048
-2189.727801
3.278652D-04
MUNgauss
RevisionA2.0
retrievium
18-Jan-2021
DUDE Cc1ccc(cc1)C[NH2+]CCN(c2ccc(cc2)Cl)S(=O)(=O)c3ccc(c(c3)OC)OC C16292414
RHF
6-31G(d)
(6D,10F)
C1
475.145832
|X|Y|Z|
69.967316 36.748435 123.393385
68.203812
24
|36.858105|
|12.618499|36.858105|
|7.539113|13.720512|36.858105|
|5.008387|7.891827|13.746866|36.858105|
|4.417858|6.797499|7.916063|13.736988|36.858105|
|5.017926|7.886919|6.892990|7.956224|13.680839|36.858105|
|7.555781|13.662213|7.976068|6.899156|7.920879|13.803814|36.858105|
|3.275806|4.424320|5.031112|7.587869|12.670842|7.576398|5.034833|36.858105|
|2.940239|3.798624|4.173843|5.634430|7.711125|5.940264|4.299453|12.640023|53.358707|
|3.064369|3.957230|4.493154|6.067135|7.344558|5.543314|4.273866|9.237979|25.705740|0.500000|
|2.984197|3.826966|3.964419|5.007507|7.048267|6.404691|4.563684|9.188173|25.463690|0.325292|0.500000|
|2.393558|2.938175|3.201644|4.070627|4.969389|4.139510|3.238192|7.527819|17.371828|0.255469|0.259475|36.858105|
|2.160118|2.569164|2.731079|3.274780|3.811717|3.413073|2.812267|4.890728|10.249994|0.190696|0.199727|12.418074|36.858105|
|2.012108|2.353553|2.421557|2.813850|3.316452|3.155526|2.630965|4.077203|7.612137|0.136688|0.169126|7.511519|12.917581|53.358707|
|1.753561|2.004087|2.059883|2.340338|2.659047|2.546362|2.197488|3.148073|5.432118|0.102900|0.116077|5.106510|7.751195|17.909105|36.858105|
|1.677255|1.891619|1.942622|2.170507|2.406441|2.314348|2.044879|2.748956|4.695343|0.093339|0.099882|4.131244|6.094690|10.464548|13.729739|36.858105|
|1.495867|1.663660|1.706575|1.883418|2.054759|1.982996|1.780502|2.313126|3.784234|0.075665|0.079388|3.262592|4.342234|6.935812|7.939468|13.762353|36.858105|
|1.403987|1.558043|1.597731|1.764379|1.927421|1.860690|1.668967|2.184741|3.479589|0.068417|0.072447|3.033361|3.818431|6.166884|6.907972|7.966389|13.762991|36.858105|
|1.446639|1.617586|1.659499|1.850054|2.047580|1.972673|1.747084|2.366289|3.743178|0.071813|0.077825|3.355360|4.129608|6.994305|7.936901|6.858204|7.907878|13.761866|36.858105|
|1.608852|1.824820|1.874120|2.119922|2.394896|2.298007|1.994807|2.839159|4.617832|0.086394|0.096834|4.324245|5.547364|10.675788|13.754998|7.929173|6.869771|7.976733|13.770092|36.858105|
|1.246793|1.366025|1.398431|1.525161|1.641787|1.591203|1.449406|1.827937|2.830560|0.056217|0.058571|2.394674|2.854580|4.366133|4.240929|4.778480|7.055761|10.984535|7.055921|4.781219|448.794386|
|2.179159|2.544638|2.527138|2.865437|3.452490|3.508125|2.937104|3.973775|7.215930|0.130831|0.184556|5.611145|7.194529|15.515604|7.187217|5.768169|4.162948|3.666802|3.952123|5.246420|22.227988|388.023441|
|2.160149|2.478371|2.450922|2.710558|3.143304|3.209055|2.802367|3.425528|6.140583|0.121477|0.151013|4.529629|5.973451|10.175043|6.049203|5.987900|4.311241|3.560005|3.564887|4.356932|22.029339|94.688709|73.516695|
|2.537505|3.064249|3.011401|3.490028|4.501146|4.708613|3.696333|5.258075|9.649805|0.160162|0.295814|6.441248|6.555343|10.564213|5.040604|4.150311|3.224687|2.946090|3.211965|4.124098|18.695471|93.346959|13.786371|73.516695|
|1.915020|2.180002|2.132635|2.361162|2.791925|2.908056|2.510565|3.138242|5.102930|0.093222|0.122230|4.011409|4.677721|9.551310|6.149302|4.961668|3.983492|3.752839|4.183685|5.367509|23.127702|77.756287|12.969028|12.944748|36.858105|
|1.755171|1.957668|1.906833|2.070281|2.381474|2.487433|2.218170|2.598907|4.148749|0.078634|0.096711|3.216407|3.793427|7.094440|5.272882|4.833645|4.121591|3.836965|4.037031|4.701672|24.262658|50.376157|11.603500|8.973803|13.892482|36.858105|
|1.599493|1.761116|1.708821|1.837147|2.090754|2.192383|1.983589|2.260675|3.477605|0.066053|0.079285|2.690024|3.044765|5.373495|4.116998|3.816955|3.522290|3.475585|3.691588|4.036445|23.252560|33.997688|7.864125|6.881113|7.998725|13.674540|36.858105|
|1.572537|1.733695|1.680856|1.811791|2.073038|2.178534|1.961270|2.256465|3.383458|0.063340|0.076519|2.627237|2.861931|4.975521|3.717174|3.296586|3.067766|3.151679|3.507841|3.862212|21.460940|30.090565|6.547567|6.548632|6.902532|7.910580|13.814191|36.858105|
|1.690352|1.890180|1.836974|2.006409|2.339601|2.458019|2.164691|2.598534|3.866284|0.070587|0.087960|3.026919|3.202639|5.657542|3.992481|3.334343|3.003778|3.096929|3.596004|4.207478|20.601759|33.923323|6.774725|7.752206|7.951050|6.809605|7.854481|13.383832|36.858105|
|1.873745|2.134795|2.084916|2.315614|2.761679|2.888713|2.474425|3.142454|4.838973|0.086280|0.113293|3.826982|4.092186|7.740657|4.999210|3.938877|3.345174|3.341569|3.909597|4.966589|21.290480|49.743238|8.715856|11.136651|13.553515|7.859942|6.846852|7.903096|13.928537|36.858105|
|1.615498|1.796727|1.746219|1.900691|2.202830|2.311823|2.048812|2.438255|3.500607|0.063898|0.078003|2.728514|2.780356|4.655605|3.287945|2.782184|2.565993|2.695793|3.143581|3.566999|18.543115|26.424895|5.426191|6.423372|5.206851|4.611482|5.289619|8.169805|14.243308|7.926823|73.516695|
|1.694273|1.901317|1.854292|2.036536|2.384828|2.493529|2.179366|2.675427|3.727279|0.066941|0.082172|2.901171|2.826901|4.588569|3.123598|2.605642|2.378412|2.491229|2.927933|3.384831|17.136067|25.260611|5.096850|6.532959|4.500999|3.778515|3.975759|5.236038|8.036582|6.733330|24.179763|36.858105|
|1.442573|1.572813|1.523286|1.627921|1.839612|1.931817|1.763469|1.982048|2.909954|0.054927|0.064763|2.247263|2.404183|4.005382|3.024391|2.748669|2.643758|2.767105|3.046026|3.209238|19.737217|23.264571|5.227775|5.261299|4.667917|5.218651|7.945042|14.386881|8.212260|5.329395|13.250102|4.819063|73.516695|
|1.342367|1.448230|1.402029|1.485010|1.655943|1.735800|1.607170|1.762941|2.590317|0.049621|0.057275|1.988037|2.145082|3.497379|2.690752|2.544731|2.511046|2.613766|2.770928|2.816384|19.299944|20.179927|4.747851|4.532839|3.809520|4.510904|6.729013|8.028590|5.233608|3.985751|8.552498|3.558902|24.046771|36.858105|
|17.547463|8.872896|6.048994|4.369132|3.975140|4.544394|6.526015|3.036984|3.649530|0.076065|0.075538|2.224885|2.001405|2.564724|1.651941|1.572598|1.411432|1.335281|1.381743|1.531908|9.563748|14.455802|3.542990|4.198728|1.819495|1.669000|1.536484|1.524065|1.641922|1.803568|2.818446|1.672750|2.502672|1.308992|0.500000|
|17.571053|8.851727|5.745344|4.241095|3.958357|4.658438|6.921195|3.029960|3.834832|0.081606|0.081146|2.307980|2.125339|2.727060|1.752039|1.687117|1.504790|1.406335|1.442096|1.600326|10.033312|15.708472|3.948766|4.540575|1.948732|1.801543|1.640948|1.603302|1.709991|1.890594|2.889022|1.688000|2.613248|1.373654|0.302196|0.500000|
|17.594686|8.839837|7.199542|4.732141|3.951945|4.174378|5.583742|3.024612|3.740332|0.080888|0.076146|2.270855|2.062094|2.589662|1.673667|1.613189|1.446210|1.355910|1.390142|1.536591|9.714087|14.431343|3.606827|4.126746|1.781093|1.643045|1.499145|1.469162|1.570511|1.735099|2.668563|1.568896|2.402993|1.264020|0.301890|0.301545|0.500000|
|6.978786|8.916403|17.722171|8.946857|5.645777|4.962832|5.657543|4.106701|4.814173|0.106995|0.092499|2.840410|2.469229|2.977203|1.894785|1.805795|1.602943|1.502663|1.551434|1.733191|10.654651|16.013047|3.927785|4.637659|1.921920|1.739393|1.569168|1.541208|1.670148|1.875845|2.832434|1.684166|2.499975|1.303110|0.158635|0.146866|0.219478|0.500000|
|4.091242|5.633622|8.941777|17.688273|8.891917|5.642664|4.963464|7.005819|7.332804|0.165535|0.126110|4.131449|3.290625|3.755340|2.322864|2.160766|1.885169|1.770219|1.854170|2.114450|12.318047|19.268310|4.564486|5.692452|2.237843|1.971017|1.753653|1.729101|1.909236|2.194104|3.223794|1.942024|2.771069|1.425736|0.101612|0.097995|0.112778|0.217045|0.500000|
|4.098805|5.628201|4.960028|5.644222|8.871530|17.686085|8.955956|6.997400|8.034377|0.143205|0.192969|4.268437|3.559591|4.669698|2.727278|2.438265|2.077392|1.957768|2.095551|2.467723|13.344577|28.192396|6.215549|10.042596|3.326861|2.782611|2.444273|2.450315|2.815167|3.360412|4.687441|2.865806|3.824343|1.908121|0.106715|0.110329|0.096163|0.107651|0.123796|0.500000|
|7.015972|8.900080|5.660301|4.965439|5.644650|8.964506|17.715211|4.107164|4.999232|0.100255|0.111195|2.884711|2.577464|3.374979|2.095701|1.958493|1.716129|1.612287|1.684617|1.912154|11.297857|20.131870|4.836559|6.250995|2.487255|2.221813|2.005109|1.986128|2.178473|2.459581|3.674398|2.184638|3.189355|1.639184|0.180369|0.202216|0.141155|0.124194|0.107699|0.217224|0.500000|
|3.017788|3.943797|4.217475|5.694058|8.815442|6.985829|4.673635|17.627017|12.460856|0.181774|0.226251|6.932434|4.625829|5.635521|3.188689|2.717896|2.299439|2.206838|2.433891|2.947405|14.803292|28.985456|5.983219|9.866793|3.347991|2.716261|2.384980|2.428546|2.868560|3.493942|4.846642|3.076917|3.786281|1.867918|0.079734|0.078325|0.076486|0.097425|0.145082|0.206176|0.110862|0.500000|
|3.020949|3.952097|4.734757|7.196324|8.837457|5.602888|4.188422|17.625365|12.370351|0.217331|0.180366|7.073977|4.579649|5.054470|2.973467|2.617451|2.235567|2.128034|2.303464|2.727877|14.417324|24.446671|5.372095|7.510995|2.785125|2.349247|2.068380|2.069026|2.361411|2.798750|3.983896|2.460129|3.266900|1.645106|0.078440|0.076695|0.079549|0.112751|0.218288|0.141474|0.096467|0.300955|0.500000|
|2.288920|2.789169|2.979899|3.727563|4.650745|4.026350|3.128779|7.111129|12.423130|0.180635|0.219736|17.661663|8.809961|9.969310|5.049572|3.892779|3.144614|3.027400|3.477082|4.582598|19.215578|39.344301|7.453856|11.619150|4.264875|3.317168|2.817668|2.828737|3.373258|4.329014|5.475290|3.372474|4.291408|2.098005|0.060021|0.061268|0.059824|0.073319|0.103450|0.119961|0.078560|0.215309|0.183000|0.500000|
|2.313161|2.818590|3.165970|4.066583|4.645818|3.725371|2.999954|6.857496|12.481567|0.224862|0.182201|17.616335|8.834924|7.676723|4.373190|3.704531|3.040115|2.856375|3.125471|3.861708|18.502901|30.652692|6.607535|8.405586|3.301949|2.755435|2.361584|2.315587|2.625369|3.189969|4.295046|2.575316|3.590480|1.807213|0.059838|0.061283|0.061869|0.079648|0.121148|0.102730|0.073711|0.167148|0.211324|0.300987|0.500000|
|1.964790|2.300626|2.468049|2.927246|3.282007|2.921141|2.466464|4.131634|7.718509|0.150644|0.144665|8.996085|17.662386|12.686789|7.864165|6.417469|4.741662|4.214090|4.541363|5.947631|25.010201|38.465315|8.509162|8.592446|4.004970|3.397461|2.811273|2.656023|2.927414|3.593956|4.594976|2.621691|4.034944|2.044879|0.050860|0.053513|0.052651|0.063137|0.083671|0.083431|0.063052|0.109105|0.113627|0.198405|0.232830|0.500000|
|2.263122|2.686540|2.857719|3.383659|3.850769|3.467332|2.910355|4.637817|9.903355|0.212260|0.198851|8.766769|17.518172|12.165715|6.359088|5.886928|4.198078|3.530856|3.616971|4.541366|21.722686|48.508555|11.913979|10.988514|4.308087|3.654660|2.910969|2.675936|2.912705|3.641710|4.487287|2.532559|4.020555|2.051162|0.057482|0.062319|0.060308|0.071968|0.093961|0.098375|0.073913|0.116619|0.119421|0.174888|0.197095|0.304808|0.500000|
|1.768435|1.994528|2.046505|2.275629|2.508855|2.417790|2.149352|2.816038|4.904893|0.100366|0.105362|4.133589|6.176325|9.562874|8.896839|17.742734|8.939474|5.663186|4.946394|5.640795|31.656912|42.304331|12.713471|7.622091|4.690493|4.625022|3.584373|3.054180|3.072211|3.644223|4.572966|2.422918|4.547824|2.393066|0.045680|0.049669|0.047331|0.052837|0.062688|0.070181|0.057094|0.075867|0.073903|0.104161|0.102687|0.170540|0.187246|0.500000|
|1.440009|1.587602|1.626730|1.777037|1.914731|1.853237|1.685395|2.118217|3.430326|0.069755|0.071822|2.872764|3.713468|5.622373|5.644803|8.910535|17.754440|8.923998|5.638540|4.953245|53.903544|25.546622|6.932202|5.085900|3.421549|3.637987|3.171681|2.744355|2.642259|2.890587|4.061615|2.118631|4.284612|2.341188|0.037688|0.040376|0.038851|0.042717|0.049454|0.053505|0.045247|0.057997|0.057037|0.076062|0.075407|0.111328|0.103882|0.215184|0.500000|
|1.364727|1.518582|1.556443|1.728315|1.904598|1.838483|1.636135|2.191816|3.376896|0.064615|0.069806|2.986902|3.483490|5.678051|5.643589|4.947273|5.638221|8.922123|17.755031|8.906121|53.894517|23.882578|5.365582|5.058245|3.651227|3.536092|3.397182|3.359631|3.450430|3.595757|5.567737|2.930516|5.366075|2.749034|0.036419|0.037708|0.036451|0.040549|0.048192|0.054224|0.043945|0.063158|0.059687|0.087500|0.078455|0.105496|0.085190|0.107463|0.124198|0.500000|
|1.635793|1.864695|1.913972|2.179222|2.490540|2.388941|2.052396|3.003209|4.765007|0.086816|0.099537|4.514730|5.284470|9.900398|8.940133|5.648606|4.952325|5.661726|8.921524|17.742433|31.629795|35.903194|7.061187|7.549088|5.350356|4.422214|3.918857|3.982427|4.629769|5.518633|7.172079|3.957267|5.909562|2.832089|0.043511|0.044976|0.043212|0.048947|0.060270|0.071941|0.054602|0.088910|0.080143|0.142189|0.111188|0.152177|0.116840|0.124192|0.107562|0.214347|0.500000|
|1.752413|1.944383|1.897485|2.047620|2.325505|2.417404|2.180907|2.506539|4.056535|0.078744|0.094129|3.113219|3.776277|6.793798|5.183991|5.251230|4.446542|3.901737|3.866224|4.364607|24.768593|47.879880|13.474374|8.345108|8.946189|17.769822|8.887896|5.639863|4.923108|5.607497|6.509419|3.125951|7.471263|3.906028|0.045971|0.050226|0.045807|0.048307|0.054276|0.073892|0.060569|0.071236|0.063221|0.086410|0.074805|0.094426|0.105199|0.147343|0.112222|0.092516|0.109461|0.500000|
|1.503260|1.637410|1.587787|1.691373|1.898553|1.987866|1.825460|2.027895|3.099359|0.059750|0.069880|2.381318|2.695379|4.581838|3.588673|3.501754|3.359878|3.303734|3.372432|3.517346|22.997249|28.117902|6.923659|5.803407|5.692049|8.948819|17.783548|8.933839|5.598889|4.943599|7.589548|3.321757|12.607774|7.483477|0.040130|0.042994|0.039317|0.040782|0.044978|0.060786|0.051422|0.058802|0.051964|0.068343|0.058990|0.070170|0.072800|0.092570|0.086583|0.087068|0.093110|0.215898|0.500000|
|1.985316|2.295653|2.254069|2.543978|3.100919|3.222632|2.686811|3.635483|5.495553|0.094694|0.128510|4.370684|4.378221|7.957697|4.767709|3.675695|3.099915|3.104378|3.674060|4.762919|19.895045|47.491327|8.055595|12.425922|8.870245|5.630975|4.944550|5.616531|8.962912|17.789389|12.565552|7.465649|7.623110|3.325705|0.053219|0.055102|0.050858|0.055876|0.066815|0.105929|0.073378|0.116686|0.088908|0.145267|0.099417|0.105283|0.105148|0.095119|0.074580|0.094891|0.155136|0.123970|0.107472|0.500000|
|1.589785|1.765552|1.721159|1.873643|2.161917|2.256780|2.003747|2.392365|3.276700|0.059589|0.071221|2.532957|2.455705|3.874635|2.687929|2.294257|2.133056|2.249274|2.613592|2.926658|15.854463|21.032645|4.389534|5.434763|3.613187|3.178951|3.411650|4.412600|5.902318|4.912816|17.018014|17.668065|7.824876|3.363759|0.043908|0.043932|0.041009|0.043723|0.049815|0.071044|0.056009|0.075773|0.061925|0.080666|0.063736|0.064177|0.061757|0.059491|0.053359|0.073920|0.093590|0.074973|0.082057|0.145967|0.500000|
|1.853301|2.093496|2.019273|2.216424|2.638689|2.819526|2.443399|2.932948|4.023692|0.071598|0.090124|3.035174|2.893153|4.627405|3.031644|2.544340|2.285007|2.340715|2.699549|3.157891|16.044802|26.506946|5.307068|7.238366|4.570034|3.741287|3.800805|4.766184|7.079619|6.734393|16.447665|17.559430|7.589362|3.260888|0.050939|0.051325|0.047231|0.050470|0.057966|0.092208|0.068510|0.095358|0.073497|0.098096|0.074023|0.073083|0.072598|0.066908|0.056908|0.073659|0.100681|0.086768|0.088363|0.223442|0.299844|0.500000|
|1.694244|1.917242|1.896770|2.112582|2.478016|2.530346|2.182110|2.860368|4.004300|0.071163|0.086924|3.225900|3.115759|5.081266|3.456850|2.801374|2.546358|2.702127|3.270137|3.867970|18.324234|26.419602|5.222270|6.790045|4.545215|3.709687|3.762573|4.716606|7.025056|6.714837|16.440807|17.549485|7.517776|3.229843|0.046292|0.046571|0.043788|0.047892|0.056506|0.080054|0.059847|0.092082|0.073809|0.107178|0.079548|0.080985|0.075687|0.071289|0.062203|0.091564|0.132008|0.086067|0.087490|0.224433|0.300050|0.298307|0.500000|
|1.271751|1.365381|1.322027|1.395660|1.548265|1.621142|1.508771|1.642886|2.383832|0.045722|0.052295|1.825704|1.943544|3.111077|2.381159|2.251405|2.237423|2.348954|2.496272|2.515535|17.698228|17.641183|4.146094|4.049513|3.203489|3.620526|4.914046|5.914202|4.423358|3.425423|7.845243|3.372594|16.999711|17.676476|0.034614|0.036079|0.033309|0.034242|0.037288|0.049300|0.042799|0.048428|0.042819|0.053642|0.046500|0.051784|0.051576|0.058915|0.058285|0.069951|0.070997|0.088951|0.146197|0.082275|0.091883|0.085270|0.084557|0.500000|
|1.302170|1.405920|1.370298|1.455237|1.614751|1.675887|1.549796|1.727856|2.561996|0.049321|0.056316|1.988850|2.179499|3.566127|2.828304|2.718065|2.746990|2.895093|3.027647|2.989233|21.675269|20.140290|4.800071|4.422859|3.753922|4.570607|6.720603|7.040461|4.732671|3.785731|7.528174|3.235814|16.424686|17.583066|0.035152|0.036960|0.034218|0.035491|0.039023|0.050797|0.043625|0.050503|0.045039|0.057939|0.050426|0.058320|0.057925|0.070244|0.071311|0.083629|0.081850|0.112728|0.224439|0.087889|0.084464|0.081989|0.084432|0.299799|0.500000|
|1.373729|1.475244|1.418411|1.492483|1.662442|1.758291|1.640473|1.749857|2.574354|0.049579|0.057308|1.947016|2.101921|3.400444|2.578309|2.474161|2.416513|2.453648|2.553409|2.621966|18.068408|20.170855|4.852441|4.548609|3.757280|4.573262|6.721960|7.049887|4.745004|3.793409|7.555009|3.256074|16.426772|17.584448|0.037163|0.039287|0.035869|0.036599|0.039614|0.053715|0.046795|0.051241|0.045133|0.056564|0.049065|0.055220|0.056543|0.065836|0.063308|0.069241|0.072544|0.112817|0.224266|0.088160|0.085022|0.085824|0.081725|0.299797|0.298234|0.500000|
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