Version2.1
2020-12-28T14:34:05Z
10.1021/jm300687e
Gaussian16
RevisionB.01
CFLINN
03-Dec-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE Cc1cccnc1Nc2c(c(ncn2)N3CC[NH+](CC3)Cc4ccc5c(c4)OCO5)[N+](=O)[O-] C40626014
RHF
6-31G(d)
(6D,7F)
Cc1cccnc1Nc2c(c(ncn2)N3CC[NH+](CC3)Cc4ccc5c(c4)OCO5)[N+](=O)[O-]
C01[X(C22H24N7O4)]
165
C1
543
[O-][N+](=O)c1c(ncnc1N1CC[NH+](CC1)Cc1ccc2c(c1)OCO2)Nc1ncccc1C
[O-][N+](=O)c1c(ncnc1N1CC[NH+](CC1)Cc1ccc2c(c1)OCO2)Nc1ncccc1C
Cc1cccnc1Nc2ncnc(N3CC[NH+](CC3)Cc4ccc5OCOc5c4)c2[N+]([O-])=O
InChIKey=XMCMWAGOLZNJQZ-UHFFFAOYSA-O
InChI=1S/C22H23N7O4/c1-15-3-2-6-23-20(15)26-21-19(29(30)31)22(25-13-24-21)28-9-7-27(8-10-28)12-16-4-5-17-18(11-16)33-14-32-17/h2-6,11,13H,7-10,12,14H2,1H3,(H,23,24,25,26)/p+1
InChI=1/C22H23N7O4/c1-15-3-2-6-23-20(15)26-21-19(29(30)31)22(25-13-24-21)28-9-7-27(8-10-28)12-16-4-5-17-18(11-16)33-14-32-17/h2-6,11,13H,7-10,12,14H2,1H3,(H,23,24,25,26)/p+1/fC22H24N7O4/h26-27H/q+1
Cc1cccnc1Nc2c(c(ncn2)N3CC[NH+](CC3)Cc4ccc5c(c4)OCO5)[N+](=O)[O-]
C01[X(C22H24N7O4)]
165
C01
543
[O-][N+](=O)c1c(ncnc1N1CC[NH+](CC1)Cc1ccc2c(c1)OCO2)Nc1ncccc1C
[O][N]([O])[C]1[C]([N][CH][N][C]1[N@@]1CC[NH](CC1)C[C]1[CH][CH][C]2[C]([CH]1)OCO2)[NH][C]1[N][CH][CH][CH][C]1C
C[C]1[CH][CH][CH][N][C]1N[C]2[N][CH][N][C]([C]2N([O])[O])N3CC[NH](CC3)C[C]4[CH][CH][C]5OCO[C]5[CH]4
InChIKey=PJGNQGZOWMGNJZ-UHFFFAOYSA-N
InChI=1S/C22H24N7O4/c1-15-3-2-6-23-20(15)26-21-19(29(30)31)22(25-13-24-21)28-9-7-27(8-10-28)12-16-4-5-17-18(11-16)33-14-32-17/h2-6,11,13,27H,7-10,12,14H2,1H3,(H,23,24,25,26)
InChI=1/C22H24N7O4/c1-15-3-2-6-23-20(15)26-21-19(29(30)31)22(25-13-24-21)28-9-7-27(8-10-28)12-16-4-5-17-18(11-16)33-14-32-17/h2-6,11,13,27H,7-10,12,14H2,1H3,(H,23,24,25,26)/f/h26H
3246.7294571983
-1527.3357484
1-A
24838.0889
118
425
543
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|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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10.06813
-9.1685 -6.8271 -0.5788
11.4458
|XX|YY|ZZ|XY|XZ|YZ|
-57.0748 -163.8008 -186.1873 4.7406 4.0092 -4.5907
|XX|YY|ZZ|XY|XZ|YZ|
78.6128 -28.1131 -50.4997 4.7406 4.0092 -4.5907
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-5.1094 -28.7516 7.2710 -116.2032 109.9100 -0.3461 -16.8911 -8.0985 -11.4891 -24.5203
|XXXX|YYYY|ZZZZ|XXXY|XXXZ|YYYX|YYYZ|ZZZX|ZZZY|XXYY|XXZZ|YYZZ|XXYZ|YYXZ|ZZXY|
-21249.1213 -2634.6551 -983.5625 -595.4041 -40.1608 -251.9929 -43.9419 5.6665 -0.9492 -4521.3329 -4927.9933 -634.9678 -96.8290 -14.7201 56.3971
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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|
14.8347 17.5822 24.5073 32.0830 39.0710 50.9436 64.3820 65.9470 74.7931 81.4450 87.2114 131.4037 150.6974 153.5815 162.5993 186.4160 204.3147 218.6112 232.4816 259.6440 270.1496 296.5050 302.8523 326.4824 334.4312 342.5362 373.3731 393.3533 418.2125 430.5844 463.0151 472.4057 478.2631 487.0805 498.7619 514.3043 514.7306 537.0467 568.4871 578.2186 583.6315 601.2635 630.1369 655.4241 666.8430 673.8699 706.8641 717.6565 777.9897 790.0933 794.2879 804.3148 810.1687 833.9327 853.9299 863.7437 871.4596 893.5624 901.8266 906.2715 910.6222 916.4637 938.4168 958.9106 967.0672 988.7512 997.1075 1011.5829 1026.2180 1036.2579 1058.3814 1062.9416 1079.8317 1094.2254 1107.7743 1117.8662 1123.6974 1142.2823 1152.1197 1157.2987 1168.3252 1176.6558 1176.8477 1178.5375 1191.2658 1205.8608 1221.3165 1225.9548 1239.0278 1252.5946 1259.3308 1268.5216 1304.7700 1311.6014 1321.0730 1325.1253 1328.5982 1338.7672 1342.1505 1368.1854 1386.5620 1392.6462 1413.1884 1421.4617 1428.3638 1470.2180 1475.1086 1484.5035 1495.2138 1509.6562 1515.8634 1522.9733 1540.9448 1559.0737 1566.0569 1568.4460 1584.0912 1585.0111 1590.4804 1600.8450 1608.6939 1617.3596 1624.5745 1627.9041 1631.9530 1639.1530 1642.2401 1643.0694 1650.3934 1654.4239 1663.6712 1679.2736 1706.4288 1713.3079 1764.1605 1773.0419 1796.6411 1805.4839 1809.8920 1818.9710 1835.0594 3168.6592 3191.2816 3221.2390 3270.8158 3279.5990 3284.6485 3287.8095 3293.1156 3302.0291 3334.0640 3340.1399 3351.6261 3361.9661 3362.2179 3372.3167 3372.8250 3383.7784 3383.7981 3389.7663 3403.5611 3405.7649 3414.6934 3684.0867 3872.0173
6.2322 6.2961 4.8008 5.1750 5.6480 6.0919 6.0200 5.3771 3.0388 3.7096 4.7682 1.2048 4.3339 3.8768 5.2054 4.4554 6.1369 7.6109 7.2782 5.8371 3.2650 4.1856 4.0031 3.8543 3.0829 3.8669 4.2551 3.6591 3.3118 5.6968 3.5192 3.7400 3.4476 2.5726 3.4415 3.0488 3.2232 3.3894 4.6497 4.7713 3.6998 3.8378 5.3536 1.8950 3.9756 4.9476 5.3051 2.7783 4.7870 5.5742 9.6537 7.2208 4.9783 4.2345 3.7452 9.0466 5.0796 2.5225 6.3482 1.9159 6.6450 1.6807 1.4867 6.0022 5.3919 1.7068 2.0178 2.8315 3.7003 2.8603 1.3814 1.8545 1.3299 1.7546 2.8425 6.9177 1.3820 1.6391 1.5030 2.4398 3.2240 3.5308 1.8192 1.9246 2.9829 3.5337 2.6744 1.8162 2.9608 2.3509 1.5395 2.3202 2.5766 1.2243 4.4917 2.2215 1.4358 1.8965 2.2687 1.6812 2.2693 1.5567 1.5819 1.4703 1.4281 1.5028 2.7132 1.2927 2.8395 1.3080 1.5238 2.0285 1.4757 1.2897 1.5146 1.2581 1.4067 1.4338 1.6680 2.0178 2.7609 2.8532 2.1364 1.1159 1.1668 2.7138 1.2408 1.1399 1.1868 1.1267 1.1582 3.3462 5.5162 1.1480 4.5610 4.3769 4.4441 6.4086 6.2271 6.9832 10.1202 1.0772 1.0756 1.0360 1.0605 1.0608 1.1028 1.0576 1.1036 1.0598 1.1112 1.1106 1.0921 1.1177 1.0925 1.1130 1.0903 1.0923 1.0903 1.0940 1.0945 1.0989 1.0956 1.0782 1.0769
0.0008 0.0011 0.0017 0.0031 0.0051 0.0093 0.0147 0.0138 0.0100 0.0145 0.0214 0.0123 0.0580 0.0539 0.0811 0.0912 0.1509 0.2143 0.2318 0.2319 0.1404 0.2168 0.2163 0.2421 0.2032 0.2673 0.3495 0.3336 0.3413 0.6223 0.4445 0.4918 0.4646 0.3596 0.5044 0.4751 0.5032 0.5760 0.8853 0.9399 0.7425 0.8175 1.2525 0.4796 1.0416 1.3237 1.5618 0.8431 1.7071 2.0502 3.5884 2.7522 1.9252 1.7350 1.6090 3.9765 2.2728 1.1867 3.0419 0.9271 3.2465 0.8317 0.7714 3.2517 2.9710 0.9831 1.1820 1.7071 2.2960 1.8097 0.9117 1.2345 0.9137 1.2378 2.0552 5.0932 1.0281 1.2601 1.1754 1.9253 2.5928 2.8802 1.4845 1.5750 2.4941 3.0274 2.3504 1.6083 2.6781 2.1732 1.4385 2.1997 2.5845 1.2409 4.6186 2.2983 1.4932 2.0027 2.4079 1.8542 2.5705 1.7788 1.8614 1.7503 1.7167 1.9139 3.4784 1.6785 3.7402 1.7563 2.0630 2.7721 2.0646 1.8470 2.1886 1.8235 2.0797 2.1223 2.4859 3.0466 4.2096 4.3975 3.3220 1.7424 1.8308 4.2961 1.9716 1.8131 1.9046 1.8170 1.8887 5.5596 9.4638 1.9855 8.3635 8.1068 8.4520 12.3083 12.0183 13.6130 20.0789 6.3722 6.4540 6.3334 6.6845 6.7221 7.0103 6.7356 7.0517 6.8084 7.2777 7.3003 7.2282 7.4434 7.2768 7.4574 7.3080 7.3686 7.3552 7.4067 7.4704 7.5096 7.5268 8.6221 9.5125
0.3038 0.3861 0.1850 1.3175 1.1654 3.5037 0.9951 2.0830 9.0801 1.3410 3.9740 0.9919 2.2999 1.8122 1.4572 0.9657 0.5014 0.4945 19.0867 0.3925 2.7811 0.9937 1.4527 3.3386 4.8083 8.0607 1.4955 15.4380 0.0433 3.5182 1.2907 0.5632 2.3582 14.1235 2.0897 5.3582 0.7349 24.1540 9.5374 2.0190 7.1997 21.8228 8.2216 57.4415 25.1788 53.1839 15.2595 1.8995 19.7188 0.6385 5.0123 2.6510 6.0304 7.0949 9.0737 8.1878 5.0929 10.1457 5.5467 26.2159 58.7464 16.0017 39.7113 38.7329 12.1922 53.8767 8.3102 11.0893 152.3901 46.0200 14.0011 27.5336 1.0031 15.4707 4.7878 59.3516 0.1525 8.8608 3.7082 31.1312 38.2459 90.9345 3.4433 11.0245 20.3409 14.1187 209.7533 47.3035 15.3232 14.2178 20.3747 45.7095 60.6977 32.5241 367.4744 15.3422 18.1833 13.9345 3.4655 35.1278 165.5839 14.9719 6.5747 8.6971 14.8504 27.0392 15.1195 9.2621 230.7157 29.7911 20.2584 196.2528 49.4287 100.7309 248.8533 2.3634 49.0409 33.0082 96.8944 127.5360 112.0271 191.9621 251.2798 3.8434 76.5604 135.6782 98.6524 0.3306 19.3109 26.8829 19.4925 361.5584 223.8999 2.1788 438.5832 649.7250 20.5426 13.1669 351.9737 1.7775 1221.3267 31.0933 45.9785 24.1017 1.7249 13.5053 15.6990 93.5833 28.2290 1.7135 0.1731 7.5113 11.5836 30.7161 2.6107 1.2707 6.1883 18.5998 1.4740 1.3455 19.5010 21.5037 0.4306 30.0850 130.0910
0.3979 1.7913 7.7637 1.1309 2.5538 1.1213 1.8460 2.0465 1.7584 2.2847 2.3272 1.3861 2.1502 1.2405 2.1091 1.6681 0.4978 0.6162 1.0132 3.9060 1.6801 0.8088 1.3267 1.9899 0.2663 0.5593 2.1654 2.1035 0.4775 0.6362 3.3307 0.6744 0.2752 1.7238 5.8694 1.0792 1.4405 3.8145 1.3563 2.7836 1.4025 5.1353 1.7511 1.7459 3.2676 3.4801 4.2614 5.8276 2.4859 0.8811 1.4118 6.9388 6.6141 9.9282 10.2743 3.3337 2.6167 4.9284 18.7041 1.9791 0.8752 2.5236 1.0895 6.9227 11.2982 2.6145 0.6545 4.4630 8.7760 11.1982 4.8380 0.9223 1.7276 3.1237 10.3168 0.9688 0.2824 1.1842 4.3919 10.3657 10.9656 3.1340 13.1939 15.4638 11.6006 15.1143 5.9282 7.3902 14.2023 1.3564 0.5472 3.4512 17.6247 12.3631 35.5347 4.0571 7.4413 6.2272 2.0259 22.9508 24.3303 4.7894 11.6791 6.7569 12.3781 7.5895 13.1291 5.5859 39.1289 4.1702 9.8816 32.8981 3.2902 14.1085 37.7321 6.9117 8.0442 5.8462 36.3998 20.2861 13.4322 34.7294 12.2247 8.2853 15.3587 8.4509 12.3002 9.5585 11.5147 7.6614 9.1793 1.2513 12.0277 27.6047 34.7991 20.4438 21.7682 43.1631 23.4099 18.7562 2.1192 50.2666 93.4471 110.3102 9.2357 122.6465 49.2378 202.3637 73.5394 88.6779 6.3262 68.7248 66.9800 116.6831 62.4633 41.1571 81.8925 93.0105 37.0214 52.4126 110.3131 252.1292 122.0305 18.8494 58.8293
0.7496 0.7295 0.7466 0.7450 0.6814 0.6588 0.7049 0.5642 0.4478 0.5635 0.7133 0.6424 0.5485 0.5743 0.3045 0.4330 0.0888 0.7037 0.6285 0.7317 0.2284 0.4682 0.7491 0.6976 0.7032 0.7059 0.5051 0.5781 0.5257 0.5269 0.3497 0.4738 0.6069 0.4032 0.2148 0.5360 0.7490 0.3991 0.7337 0.5653 0.1951 0.5940 0.7484 0.5467 0.7262 0.7288 0.1222 0.1290 0.5071 0.2513 0.3871 0.1305 0.1991 0.3208 0.0862 0.2372 0.7014 0.1654 0.1237 0.2388 0.6783 0.5702 0.6512 0.2855 0.1313 0.6928 0.2710 0.2157 0.4721 0.3684 0.5972 0.7414 0.7436 0.1935 0.5872 0.6371 0.5781 0.7383 0.4320 0.4441 0.4687 0.4779 0.1358 0.0898 0.4235 0.3584 0.3158 0.1274 0.2562 0.7498 0.6883 0.6236 0.7419 0.4565 0.7496 0.6818 0.5109 0.6280 0.6707 0.2623 0.3076 0.7267 0.5250 0.7430 0.5039 0.6838 0.5939 0.6612 0.2065 0.1529 0.7491 0.1141 0.0823 0.5497 0.3791 0.3730 0.6992 0.7096 0.3176 0.1444 0.1355 0.5659 0.7418 0.6807 0.7492 0.0679 0.6717 0.7014 0.7424 0.7337 0.6528 0.1817 0.5269 0.4753 0.5752 0.4351 0.4777 0.5607 0.7474 0.6419 0.1468 0.2423 0.1982 0.0064 0.4787 0.0741 0.7491 0.1344 0.7054 0.0918 0.4184 0.7317 0.3605 0.6959 0.3033 0.6376 0.4275 0.6950 0.2845 0.3000 0.3314 0.1600 0.2756 0.1698 0.1245
0.8569 0.8436 0.8549 0.8539 0.8105 0.7943 0.8269 0.7214 0.6186 0.7208 0.8327 0.7823 0.7084 0.7296 0.4669 0.6043 0.1631 0.8261 0.7719 0.8450 0.3719 0.6378 0.8566 0.8218 0.8258 0.8276 0.6712 0.7327 0.6892 0.6902 0.5182 0.6430 0.7554 0.5747 0.3537 0.6979 0.8565 0.5705 0.8464 0.7223 0.3265 0.7453 0.8561 0.7070 0.8414 0.8431 0.2178 0.2286 0.6729 0.4017 0.5582 0.2308 0.3321 0.4858 0.1586 0.3835 0.8245 0.2838 0.2202 0.3855 0.8083 0.7263 0.7887 0.4442 0.2321 0.8185 0.4264 0.3548 0.6414 0.5384 0.7478 0.8515 0.8529 0.3242 0.7399 0.7783 0.7326 0.8494 0.6033 0.6151 0.6383 0.6467 0.2391 0.1648 0.5950 0.5276 0.4800 0.2259 0.4080 0.8570 0.8154 0.7681 0.8519 0.6269 0.8569 0.8108 0.6763 0.7715 0.8029 0.4156 0.4705 0.8417 0.6885 0.8526 0.6701 0.8122 0.7452 0.7961 0.3423 0.2653 0.8566 0.2048 0.1522 0.7094 0.5498 0.5433 0.8230 0.8301 0.4821 0.2523 0.2387 0.7228 0.8517 0.8100 0.8566 0.1271 0.8036 0.8245 0.8521 0.8464 0.7900 0.3075 0.6902 0.6444 0.7304 0.6064 0.6465 0.7185 0.8555 0.7819 0.2560 0.3901 0.3308 0.0127 0.6475 0.1380 0.8565 0.2369 0.8273 0.1682 0.5900 0.8451 0.5299 0.8207 0.4654 0.7787 0.5989 0.8201 0.4429 0.4615 0.4979 0.2759 0.4321 0.2903 0.2215
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 7 6 7 6 6 6 7 6 7 7 6 6 7 1 6 6 6 6 6 6 6 6 6 8 6 8 7 8 8 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 14.00307 12.00000 14.00307 12.00000 12.00000 12.00000 14.00307 12.00000 14.00307 14.00307 12.00000 12.00000 14.00307 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 14.00307 15.99491 15.99491 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
5010.2035 42226.5290 44994.2970
1.00000 0.00142 0.00141 -0.00140 0.99994 -0.01074 -0.00143 0.01074 0.99994
1
0.01729 0.00205 0.00192
0.36021 0.04274 0.04011
21.34 25.30 35.26 46.16 56.21 73.30 92.63 94.88 107.61 117.18 125.48 189.06 216.82 220.97 233.94 268.21 293.96 314.53 334.49 373.57 388.69 426.60 435.74 469.74 481.17 492.83 537.20 565.95 601.71 619.51 666.18 679.69 688.11 700.80 717.61 739.97 740.58 772.69 817.93 831.93 839.72 865.08 906.63 943.01 959.44 969.55 1017.02 1032.55 1119.35 1136.77 1142.80 1157.23 1165.65 1199.84 1228.61 1242.73 1253.84 1285.64 1297.53 1303.92 1310.18 1318.59 1350.17 1379.66 1391.39 1422.59 1434.62 1455.44 1476.50 1490.94 1522.77 1529.34 1553.64 1574.35 1593.84 1608.36 1616.75 1643.49 1657.64 1665.09 1680.96 1692.95 1693.22 1695.65 1713.97 1734.96 1757.20 1763.88 1782.68 1802.20 1811.90 1825.12 1877.27 1887.10 1900.73 1906.56 1911.56 1926.19 1931.06 1968.51 1994.95 2003.71 2033.26 2045.17 2055.10 2115.32 2122.35 2135.87 2151.28 2172.06 2180.99 2191.22 2217.08 2243.16 2253.21 2256.64 2279.15 2280.48 2288.35 2303.26 2314.55 2327.02 2337.40 2342.19 2348.02 2358.38 2362.82 2364.01 2374.55 2380.35 2393.65 2416.10 2455.17 2465.07 2538.23 2551.01 2584.97 2597.69 2604.03 2617.09 2640.24 4558.99 4591.54 4634.64 4705.97 4718.61 4725.88 4730.42 4738.06 4750.88 4796.97 4805.72 4822.24 4837.12 4837.48 4852.01 4852.74 4868.50 4868.53 4877.12 4896.97 4900.14 4912.98 5300.58 5570.97
0.498443
0.524488
0.525432
0.437674
-1526.837305
-1526.811260
-1526.810316
-1526.898075
2.943451D-04
MUNgauss
RevisionA2.0
retrievium
28-Dec-2020
DUDE Cc1cccnc1Nc2c(c(ncn2)N3CC[NH+](CC3)Cc4ccc5c(c4)OCO5)[N+](=O)[O-] C40626014
RHF
6-31G(d)
(6D,10F)
C1
450.188978
|X|Y|Z|
147.654480 47.507965 27.913064
58.068444
29
|36.858105|
|12.636795|36.858105|
|7.549152|13.725234|36.858105|
|5.020175|7.916312|13.777050|36.858105|
|4.488153|6.958599|8.040674|13.794441|36.858105|
|5.043861|7.952294|6.946146|8.042289|14.427940|53.358707|
|7.465842|13.694095|8.106406|7.080407|8.417336|19.765365|36.858105|
|6.421715|7.737187|5.166114|4.626342|5.402205|11.292246|13.310602|53.358707|
|5.644762|5.891294|4.230170|3.783836|4.238035|7.871307|7.784161|19.499148|36.858105|
|4.213641|4.155390|3.232426|2.970050|3.298486|5.756681|5.053817|10.660186|13.348408|36.858105|
|3.556379|3.429304|2.790674|2.579730|2.802193|4.641795|3.917135|7.065311|7.863295|13.502881|36.858105|
|3.639738|3.477318|2.866618|2.626454|2.795238|4.517275|3.822623|6.372654|6.950277|8.040260|14.468928|53.358707|
|4.493111|4.327938|3.480437|3.118481|3.280894|5.334707|4.690158|7.500220|8.434412|7.223215|8.459016|19.589406|36.858105|
|5.866793|5.984087|4.428523|3.876331|4.147935|7.157979|6.894119|11.389043|14.246975|7.999482|6.992457|11.007275|14.661359|53.358707|
|2.866805|2.765184|2.329631|2.187848|2.367074|3.812825|3.099405|5.320866|5.127183|7.746224|13.835938|11.374851|5.459617|6.330057|53.358707|
|2.531185|2.412022|2.080556|1.953662|2.075581|3.247176|2.614652|4.249907|3.927466|5.079891|7.821349|9.707369|4.772885|5.269010|17.920621|36.858105|
|2.228058|2.107812|1.840291|1.732218|1.828732|2.825036|2.257435|3.621620|3.177410|4.015497|5.245365|6.343982|3.537590|4.159975|10.749231|12.508083|36.858105|
|2.043129|1.972750|1.735992|1.657747|1.770631|2.735966|2.144694|3.441347|2.935589|3.718228|4.511092|5.231950|3.047468|3.733945|9.096853|7.619090|12.688883|53.358707|
|1.938058|1.893900|1.681182|1.618919|1.734892|2.666890|2.065264|3.272621|2.782918|3.441255|4.188342|5.027450|2.949044|3.593167|8.114918|7.042364|9.303295|25.688899|0.500000|
|2.219885|2.168294|1.886194|1.807841|1.959261|3.080753|2.411335|3.981594|3.386564|4.520292|5.199229|5.512535|3.239090|4.104021|10.684229|6.591252|7.692532|17.247176|0.259330|36.858105|
|2.515265|2.496791|2.142365|2.057806|2.262830|3.633690|2.849083|4.834762|4.322237|6.182719|7.687734|7.375348|4.121614|5.154029|17.900303|7.950659|6.678073|10.490475|0.198522|12.549282|36.858105|
|1.818471|1.747195|1.555128|1.486565|1.574868|2.401346|1.873973|2.952507|2.442374|2.974952|3.400403|4.078883|2.492337|3.118233|6.087278|4.942793|7.628750|17.091973|0.259115|7.561037|4.952636|36.858105|
|1.647631|1.606424|1.444870|1.397080|1.487953|2.255186|1.732108|2.699569|2.188324|2.611862|2.886685|3.487233|2.186403|2.783917|4.942130|3.810462|4.978688|10.323490|0.204131|6.147051|4.269428|12.661231|36.858105|
|1.522663|1.494645|1.356996|1.319976|1.404526|2.111278|1.607592|2.470358|1.997677|2.333571|2.594078|3.223382|2.038979|2.582806|4.338353|3.439240|4.252735|7.979168|0.182615|4.716742|3.681143|7.634203|13.768983|36.858105|
|1.399683|1.385269|1.268200|1.242893|1.324861|1.978498|1.491065|2.268486|1.807093|2.075273|2.254636|2.819296|1.819417|2.334730|3.646531|2.805697|3.271459|5.747670|0.129326|3.770564|3.103436|5.014559|7.835728|13.609783|36.858105|
|1.383858|1.373140|1.257733|1.235447|1.320186|1.972308|1.481884|2.257032|1.776284|2.037922|2.163779|2.673368|1.742486|2.267979|3.453924|2.567708|2.955707|5.161097|0.110584|3.644044|2.975174|4.486397|6.947869|8.090766|13.947110|36.858105|
|1.474599|1.457148|1.325745|1.296973|1.387579|2.086211|1.576324|2.425542|1.904308|2.212955|2.322065|2.814744|1.829774|2.397995|3.730896|2.707814|3.166171|5.651447|0.114655|4.188435|3.255358|5.077446|8.055694|6.975897|7.911508|13.729397|36.858105|
|1.615763|1.581994|1.425087|1.382707|1.477180|2.238756|1.711431|2.668525|2.122748|2.521187|2.680712|3.198257|2.044246|2.658737|4.442021|3.231461|3.971563|7.552031|0.144194|5.514218|3.901277|7.547398|13.526229|7.861103|6.722884|7.916987|13.972747|36.858105|
|1.408752|1.398208|1.278559|1.256082|1.344769|2.013149|1.512111|2.311847|1.786578|2.048770|2.101499|2.552802|1.686211|2.239407|3.285919|2.340050|2.654890|4.510976|0.090717|3.482935|2.834527|3.841888|5.202486|4.693775|5.405776|8.551542|14.163505|7.800311|73.516695|
|1.290277|1.286919|1.186700|1.171990|1.253033|1.860713|1.387617|2.096261|1.614072|1.822338|1.873775|2.313065|1.540518|2.044438|2.890867|2.084030|2.322511|3.844433|0.079439|2.896113|2.458635|3.196047|4.208698|4.218912|5.349304|8.578894|8.580085|5.353517|23.941273|36.858105|
|1.284904|1.281834|1.182583|1.167979|1.248148|1.852509|1.381590|2.084483|1.620925|1.831784|1.916100|2.384879|1.577600|2.072051|2.985652|2.195046|2.455491|4.106557|0.087453|2.983801|2.541223|3.420003|4.684614|5.219723|7.797304|14.194299|8.564989|5.414450|14.919705|13.469608|73.516695|
|3.715186|3.656459|2.916820|2.715757|3.023361|5.191876|4.392807|8.919566|7.666681|13.280810|7.658955|7.055630|4.697777|7.039904|8.787403|4.382398|3.844749|5.147597|0.094767|4.935842|6.153187|3.116603|2.771133|2.413243|2.158007|2.165427|2.410399|2.767690|4.012751|1.972363|3.463035|53.358707|
|3.208494|3.060600|2.513694|2.338394|2.546195|4.194559|3.486508|6.418039|5.429022|8.399319|6.810646|6.400643|4.055470|5.674990|9.408323|4.749709|4.470420|6.070686|0.106545|6.096003|6.743875|3.689239|3.189836|2.685624|2.360942|2.378301|2.705023|3.205148|4.454078|2.144886|3.748724|21.603055|73.516695|
|3.705575|3.817822|3.063820|2.906025|3.315165|5.810130|4.773433|9.726724|6.799730|8.408344|5.403814|5.601990|3.980056|6.276907|6.386624|3.471980|3.127367|4.299720|0.080971|4.033526|4.786746|2.702008|2.486439|2.192665|2.004200|2.038724|2.266313|2.539800|3.856447|1.908900|3.315261|21.666906|16.089328|73.516695|
|17.576734|8.845740|5.712443|4.241196|4.029287|6.413783|6.875152|9.512668|6.033514|4.687574|3.802076|5.060847|4.375833|7.629447|4.181526|2.661733|2.368868|2.963407|0.056704|2.396225|2.694261|1.940551|1.749443|1.599420|1.465270|1.455551|1.564822|1.726001|2.659981|1.360024|2.395680|5.859457|6.588122|7.648228|0.500000|
|17.574334|8.861420|6.115757|4.384758|4.003907|6.122322|6.326343|7.991228|5.908067|4.408804|3.893270|5.701814|5.449665|9.497327|4.187614|2.755654|2.382176|2.915813|0.056532|2.295635|2.623799|1.890211|1.696439|1.572386|1.436208|1.408759|1.494748|1.644768|2.518955|1.298790|2.314239|5.019411|5.728295|6.262595|0.301779|0.500000|
|17.588923|8.902237|7.229065|4.759450|4.022529|5.744514|5.591808|6.507773|4.274352|3.418130|2.984093|4.172828|3.664237|6.065653|3.388560|2.246136|2.013204|2.520994|0.048895|1.990483|2.212101|1.672367|1.522542|1.412392|1.304233|1.291304|1.372981|1.496855|2.341754|1.211309|2.140971|4.243525|4.935200|5.568711|0.302040|0.301642|0.500000|
|7.002499|8.931518|17.713825|8.925350|5.686056|6.791510|5.710072|5.659683|3.590980|2.853449|2.526523|3.568223|3.145636|5.205618|2.913865|1.944484|1.736022|2.217905|0.043801|1.750435|1.961496|1.472204|1.366259|1.285830|1.202307|1.191003|1.253194|1.345778|2.149785|1.124901|1.993344|3.536945|4.073543|4.783772|0.145701|0.162251|0.219804|0.500000|
|4.081557|5.626169|8.876544|17.743339|8.907223|7.778588|5.061565|4.996452|3.127051|2.547764|2.262635|3.149891|2.701665|4.394029|2.660288|1.769654|1.582832|2.067844|0.041362|1.643439|1.850601|1.373043|1.296973|1.231748|1.165267|1.158499|1.211371|1.284448|2.091599|1.103449|1.955530|3.207822|3.674100|4.457478|0.097601|0.101757|0.112608|0.213566|0.500000|
|3.582353|4.998121|5.674079|8.883188|17.725504|12.718965|5.920793|5.982829|3.609813|2.943695|2.547703|3.444296|2.896988|4.788683|2.992018|1.940695|1.721507|2.293070|0.046154|1.862336|2.139748|1.504924|1.435678|1.362871|1.294615|1.292679|1.353162|1.429430|2.340917|1.233636|2.184519|3.734720|4.161673|5.369585|0.091715|0.091013|0.091292|0.124221|0.212890|0.500000|
|5.122231|5.988144|4.419961|4.159811|4.995039|10.174075|9.255963|26.051633|9.575728|7.303600|4.786440|5.594036|4.497229|8.211845|5.180437|3.000943|2.616337|3.469927|0.067142|3.021335|3.628485|2.201400|2.034526|1.850162|1.708073|1.716222|1.858594|2.039743|3.172777|1.610819|2.825959|9.992444|9.045651|17.134160|0.160639|0.128064|0.113438|0.101057|0.094084|0.118185|0.500000|
|4.174843|3.997932|3.363916|3.013846|3.084983|4.798067|4.106474|6.035644|5.916461|5.133148|5.937692|12.734954|17.725387|12.832039|6.008920|4.198042|3.199348|3.735190|0.074678|2.827490|3.464682|2.288104|2.018695|1.908303|1.710778|1.629614|1.694927|1.878442|2.780105|1.441027|2.634457|5.060005|5.910454|5.794435|0.108585|0.144409|0.097966|0.086470|0.073783|0.076240|0.102700|0.500000|
|2.340502|2.274878|1.992228|1.895303|2.022505|3.136842|2.476047|3.937108|3.580049|4.403362|6.389495|8.664413|4.465997|4.918980|12.299318|17.489017|8.806261|9.215997|0.203023|5.737295|7.103204|4.532279|3.699119|3.508520|2.884896|2.589538|2.659224|3.095850|4.073235|2.074103|3.945508|5.152041|7.011297|5.554483|0.067234|0.070659|0.058024|0.051693|0.047966|0.053036|0.077242|0.112898|0.500000|
|2.685643|2.505043|2.154892|1.996125|2.090142|3.248356|2.657220|4.261622|3.976794|4.892959|7.466510|10.997954|5.326390|5.592803|12.464324|17.694991|8.964267|7.590699|0.143664|4.942347|5.719716|4.126475|3.236700|2.961857|2.464814|2.269223|2.383094|2.799689|3.719337|1.879795|3.499981|5.543111|7.671998|5.794460|0.077899|0.083001|0.066259|0.056379|0.050220|0.053839|0.081712|0.133694|0.303606|0.500000|
|2.039072|1.928388|1.705612|1.609055|1.686065|2.570178|2.040267|3.199325|2.763369|3.335316|4.227910|5.478158|3.164850|3.709042|7.716285|8.811813|17.618270|12.369279|0.225790|5.615710|4.997025|7.108305|4.777870|4.333923|3.298292|2.897045|3.015825|3.696767|4.480076|2.244466|4.281423|4.312160|6.353432|4.730496|0.059555|0.060749|0.051751|0.045036|0.041146|0.044274|0.063874|0.082162|0.214336|0.211786|0.500000|
|2.323648|2.159451|1.872909|1.745852|1.830943|2.831018|2.290828|3.697614|3.217888|4.082656|5.099167|6.045358|3.464790|4.154573|9.658663|8.840780|17.628418|12.426490|0.181841|6.975164|5.837220|7.097278|4.607957|3.796254|2.993541|2.784922|3.059643|3.879095|4.640479|2.257701|4.157459|5.497979|8.742465|5.778045|0.069630|0.068777|0.058450|0.049263|0.044236|0.047596|0.074376|0.086532|0.173072|0.216347|0.299879|0.500000|
|2.029232|2.008712|1.768964|1.715133|1.868037|2.915452|2.240811|3.641156|3.004093|3.842441|4.192075|4.621881|2.821731|3.645358|7.687778|4.950931|5.619932|12.365249|0.227205|17.660037|8.813733|7.009527|6.989558|5.282577|4.342470|4.334465|5.129942|6.765852|7.418797|3.387732|6.197360|5.818087|8.968284|6.605305|0.060528|0.057706|0.050929|0.045605|0.043555|0.049844|0.077822|0.069398|0.129339|0.108859|0.126827|0.142888|0.500000|
|2.318910|2.231199|1.926293|1.828885|1.969745|3.103422|2.462905|4.107348|3.453697|4.654836|5.077838|5.313430|3.184995|4.108967|9.659123|5.798834|6.967424|12.369830|0.181819|17.658021|8.875471|6.998079|5.490795|4.112130|3.365041|3.348507|3.973430|5.309328|6.055772|2.786655|4.961164|7.421844|13.482500|7.767160|0.070711|0.066159|0.057815|0.049786|0.046076|0.051660|0.087251|0.076871|0.133072|0.130118|0.142641|0.207952|0.299117|0.500000|
|2.640318|2.669004|2.273951|2.200227|2.460608|4.024071|3.128323|5.456359|4.759791|6.989607|7.204758|6.766315|4.035205|5.347273|12.310464|5.696757|4.956340|7.639393|0.145905|8.994792|17.727849|4.117345|3.741884|3.241589|2.841016|2.807978|3.109681|3.629336|4.970597|2.421620|4.360998|10.559634|14.061741|10.863256|0.079251|0.075119|0.064053|0.057192|0.054592|0.064700|0.118013|0.092941|0.144743|0.127016|0.109206|0.129395|0.214070|0.214515|0.500000|
|2.323057|2.341811|2.042964|1.987579|2.193369|3.480628|2.670311|4.389015|3.869068|5.076802|6.320565|6.854914|3.901719|4.810911|12.433344|7.250390|5.909373|9.469352|0.210925|8.856594|17.460319|4.586565|4.164991|3.806295|3.243064|3.039934|3.207204|3.714139|4.935068|2.463537|4.625822|6.519969|8.749420|7.117795|0.067806|0.067557|0.057142|0.052009|0.049988|0.058265|0.090649|0.093639|0.216364|0.146387|0.132717|0.135458|0.213612|0.173683|0.304442|0.500000|
|1.743660|1.666707|1.491778|1.422870|1.496329|2.263979|1.768932|2.752667|2.279905|2.719129|3.145561|3.912604|2.401816|2.970044|5.479234|4.756616|7.449780|12.421609|0.219888|5.596686|4.183145|17.627671|8.878459|7.122909|4.709298|4.025606|4.275141|5.690594|5.924881|2.886760|5.583306|3.774498|5.698694|4.297546|0.051315|0.050687|0.044790|0.039456|0.036645|0.039709|0.056400|0.062238|0.123693|0.114680|0.231230|0.188632|0.142669|0.145873|0.097205|0.111019|0.500000|
|1.879263|1.788279|1.584311|1.505357|1.589192|2.427488|1.909461|3.024624|2.484540|3.039255|3.389768|4.011531|2.476637|3.136024|5.927963|4.585597|6.865096|12.384049|0.182416|7.125025|4.676352|17.633075|8.811014|5.632325|4.166363|3.987660|4.755654|7.156411|6.716702|3.072283|5.607142|4.456251|7.130203|5.029398|0.056295|0.053995|0.048085|0.041734|0.038556|0.042005|0.062931|0.062808|0.111773|0.110137|0.169264|0.209721|0.177664|0.218001|0.112105|0.114412|0.301765|0.500000|
|1.520407|1.488651|1.353472|1.314051|1.393065|2.088522|1.593792|2.437837|1.987583|2.307575|2.615114|3.314636|2.085141|2.606358|4.376268|3.629369|4.503688|7.957401|0.192805|4.388142|3.587689|7.086372|8.919480|17.689086|8.932237|5.725015|5.003498|5.605136|6.597427|3.445039|7.439278|3.175544|4.569450|3.743294|0.044119|0.043923|0.039192|0.035704|0.034095|0.037497|0.050233|0.054681|0.105428|0.087275|0.135054|0.108069|0.128490|0.105653|0.086117|0.104986|0.212584|0.143015|0.500000|
|1.323343|1.313576|1.209778|1.189318|1.265493|1.878630|1.409728|2.125516|1.689411|1.915086|2.082326|2.644318|1.719662|2.203275|3.315463|2.574528|2.927528|4.911009|0.112122|3.221747|2.771196|4.087485|5.590805|8.796134|17.757186|8.931627|5.627791|4.876702|7.768012|4.645333|12.214114|2.676428|3.769705|3.264553|0.038254|0.037774|0.034352|0.031922|0.031086|0.034459|0.044269|0.045295|0.074728|0.063616|0.083421|0.074102|0.100354|0.080151|0.070778|0.081693|0.111431|0.096030|0.213790|0.500000|
|1.695586|1.651542|1.479786|1.429618|1.526305|2.322719|1.786453|2.806986|2.220748|2.657946|2.773996|3.260970|2.092172|2.746655|4.559412|3.221176|3.944668|7.211447|0.129784|5.700354|3.966788|6.899113|8.744122|5.591734|4.874845|5.636020|8.967513|17.729475|12.277240|4.660819|7.790025|4.084492|6.345044|4.896444|0.050777|0.047700|0.043605|0.038797|0.036786|0.040867|0.060015|0.053026|0.083428|0.078216|0.099255|0.111958|0.187306|0.167558|0.104971|0.100581|0.143643|0.213559|0.123044|0.106249|0.500000|
|1.223767|1.216125|1.124999|1.109220|1.179799|1.743648|1.302681|1.957162|1.501952|1.683326|1.728014|2.148588|1.438734|1.910646|2.643942|1.919281|2.143838|3.469355|0.071072|2.576607|2.204016|2.917675|3.715546|3.725370|4.584848|6.582970|6.582904|4.585405|16.536237|17.645697|16.543248|2.473065|3.511252|3.130933|0.035812|0.034198|0.032059|0.029737|0.029088|0.032248|0.041663|0.037552|0.052853|0.048616|0.058067|0.058442|0.081492|0.069926|0.060212|0.060971|0.074690|0.079074|0.086782|0.114497|0.114784|0.500000|
|1.276203|1.281634|1.185382|1.176965|1.263316|1.873335|1.387370|2.089282|1.597488|1.792677|1.825586|2.253094|1.510636|2.018041|2.785914|1.984370|2.167319|3.550765|0.073709|2.735819|2.380717|2.848280|3.611475|3.617589|4.450906|6.379239|6.378392|4.454438|16.554771|17.683625|16.558533|2.645904|3.714250|3.384315|0.037307|0.035557|0.033280|0.031150|0.030818|0.034703|0.044792|0.039228|0.055074|0.049805|0.057822|0.058439|0.089058|0.072947|0.066145|0.066631|0.071495|0.076303|0.084412|0.111647|0.111989|0.296827|0.500000|
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